smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1ccc(OCc2ccccc2)cc1C(F)(F)F ZINC000261494139 190039680 /nfs/dbraw/zinc/03/96/80/190039680.db2.gz QSMPYTXIGSTLRA-UHFFFAOYSA-N -1 3 268.234 3.990 50 0 CHAAHM CCCCOc1cc([O-])cc(C(F)(F)F)c1F ZINC000261493759 190039871 /nfs/dbraw/zinc/03/98/71/190039871.db2.gz IRIOIOSEULQQTL-UHFFFAOYSA-N -1 3 252.207 3.729 50 0 CHAAHM COc1cc(-c2ccc([O-])cc2)cc(=O)c2c(C)oc(C)c21 ZINC000000111980 169539869 /nfs/dbraw/zinc/53/98/69/169539869.db2.gz NRXYHWFLPSAUFP-UHFFFAOYSA-N -1 3 296.322 3.791 50 0 biogenic CHAAHM CCc1cccc(CC)c1NC(=O)c1ccc([O-])cc1 ZINC000000131807 169547836 /nfs/dbraw/zinc/54/78/36/169547836.db2.gz YDDUQGFOCDQKIH-UHFFFAOYSA-N -1 3 269.344 3.769 50 0 CHAAHM CC(=O)Nc1cc(C)c([O-])c(-c2nc3ccccc3s2)c1 ZINC000004988528 170049391 /nfs/dbraw/zinc/04/93/91/170049391.db2.gz AYDMPCKYVDLEDT-UHFFFAOYSA-N -1 3 298.367 3.936 50 0 CHAAHM CCCc1cc(=O)[n-]c(Nc2cc(Cl)cc(Cl)c2)n1 ZINC000005625373 170121556 /nfs/dbraw/zinc/12/15/56/170121556.db2.gz UIEBZBCRCOPPCL-UHFFFAOYSA-N -1 3 298.173 3.773 50 0 CHAAHM O=c1cc([O-])[nH]c2c3ccc(-c4ccccc4)nc3sc21 ZINC000005687438 170129448 /nfs/dbraw/zinc/12/94/48/170129448.db2.gz QZEAWIOWNZQMHW-UHFFFAOYSA-N -1 3 294.335 3.923 50 0 CHAAHM Nc1ccccc1/C=C/c1ccc2cccc([O-])c2n1 ZINC000006548303 170212268 /nfs/dbraw/zinc/21/22/68/170212268.db2.gz YOUDUYWZJMYLBJ-CSKARUKUSA-N -1 3 262.312 3.693 50 0 CHAAHM Cc1ccc(NC(=O)c2cc3ccccc3o2)c([O-])c1 ZINC000006606441 170218649 /nfs/dbraw/zinc/21/86/49/170218649.db2.gz KYUKPAAMFUBOEC-UHFFFAOYSA-N -1 3 267.284 3.699 50 0 CHAAHM C[C@@H](NC(=O)c1ccccc1[O-])C12CC3CC(CC(C3)C1)C2 ZINC000006668515 170224366 /nfs/dbraw/zinc/22/43/66/170224366.db2.gz PPQYHTFSCYZVGE-XUXNNNHQSA-N -1 3 299.414 3.727 50 0 CHAAHM [O-]c1cc(O)ccc1-c1csc(NC2CCCCC2)n1 ZINC000009513152 170379475 /nfs/dbraw/zinc/37/94/75/170379475.db2.gz TVRQBFFKDWBZBB-UHFFFAOYSA-N -1 3 290.388 3.966 50 0 CHAAHM O=C(c1nc2ccccc2[n-]1)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000009913629 170390485 /nfs/dbraw/zinc/39/04/85/170390485.db2.gz XLMQVSNYCUHXNE-CHWSQXEVSA-N -1 3 280.302 3.688 50 0 CHAAHM COc1ccc([N-]c2nc(-c3ccccc3F)no2)cc1 ZINC000071928099 176302171 /nfs/dbraw/zinc/30/21/71/176302171.db2.gz FAWMGZFUBACUBV-UHFFFAOYSA-N -1 3 285.278 3.628 50 0 CHAAHM Cc1ccc(NC(=O)c2ccc3ccccc3n2)c([O-])c1 ZINC000003397899 567171957 /nfs/dbraw/zinc/17/19/57/567171957.db2.gz RWMSBOSTKBSADI-UHFFFAOYSA-N -1 3 278.311 3.501 50 0 CHAAHM CCc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000003581193 567178778 /nfs/dbraw/zinc/17/87/78/567178778.db2.gz NUHUUCRAVBJPIV-UHFFFAOYSA-N -1 3 289.400 3.667 50 0 CHAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1 ZINC000000134854 567819764 /nfs/dbraw/zinc/81/97/64/567819764.db2.gz JVHXBKDEIARJES-UHFFFAOYSA-N -1 3 289.400 3.667 50 0 CHAAHM CCOc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000000364804 567827439 /nfs/dbraw/zinc/82/74/39/567827439.db2.gz XGSFZRUXMPXRHR-UHFFFAOYSA-N -1 3 291.734 3.697 50 0 CHAAHM CC(C)(C)c1cc([N-]C(=O)c2c(F)cccc2F)no1 ZINC000012381604 567863020 /nfs/dbraw/zinc/86/30/20/567863020.db2.gz PUUQGSUJUZHIMQ-UHFFFAOYSA-N -1 3 280.274 3.503 50 0 CHAAHM CCc1noc(C)c1C(=O)[N-]c1ccccc1SC ZINC000013326758 567865595 /nfs/dbraw/zinc/86/55/95/567865595.db2.gz SCZAJAAOULIVKV-UHFFFAOYSA-N -1 3 276.361 3.520 50 0 CHAAHM CCc1cccc2c(-c3cn4cccc([O-])c4n3)c[nH]c21 ZINC000032727490 567866800 /nfs/dbraw/zinc/86/68/00/567866800.db2.gz QTWWJVLJLFIXGK-UHFFFAOYSA-N -1 3 277.327 3.751 50 0 CHAAHM CCc1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000014255685 567868896 /nfs/dbraw/zinc/86/88/96/567868896.db2.gz BLENUPPSZAYINI-UHFFFAOYSA-N -1 3 289.400 3.667 50 0 CHAAHM O=C(Nc1ccccc1C(F)(F)F)c1ccc([O-])cc1 ZINC000019838231 567879368 /nfs/dbraw/zinc/87/93/68/567879368.db2.gz IDDMWILWQZNIOW-UHFFFAOYSA-N -1 3 281.233 3.663 50 0 CHAAHM COc1cccc(F)c1-c1ccc([O-])c(-c2ccno2)c1 ZINC000067894838 567900780 /nfs/dbraw/zinc/90/07/80/567900780.db2.gz WITRUWLOZXJAKZ-UHFFFAOYSA-N -1 3 285.274 3.862 50 0 CHAAHM O=c1cc(-c2ccccc2)nc(C=Cc2ccccc2)[n-]1 ZINC000018130153 567940018 /nfs/dbraw/zinc/94/00/18/567940018.db2.gz HLPZQWLAHWGXIG-VAWYXSNFSA-N -1 3 274.323 3.607 50 0 CHAAHM O=C(Nc1ccccc1[O-])c1csc2c1CCCC2 ZINC000000338073 570387937 /nfs/dbraw/zinc/38/79/37/570387937.db2.gz DJMWKSLIGHVDNN-UHFFFAOYSA-N -1 3 273.357 3.585 50 0 CHAAHM Cc1cccc(C(=O)c2c[nH]nc2-c2ccc(C)cc2[O-])c1 ZINC000005130658 170069136 /nfs/dbraw/zinc/06/91/36/170069136.db2.gz ACNXLVOTBATGSR-UHFFFAOYSA-N -1 3 292.338 3.630 50 0 CHAAHM Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1C ZINC000006315765 170190526 /nfs/dbraw/zinc/19/05/26/170190526.db2.gz WXNJRRLVFUJILG-UHFFFAOYSA-N -1 3 289.400 3.721 50 0 CHAAHM Cc1ccc(F)c([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000007428492 170284873 /nfs/dbraw/zinc/28/48/73/170284873.db2.gz FZDDEXXAGLGGDE-UHFFFAOYSA-N -1 3 293.363 3.552 50 0 CHAAHM Cc1ccc(C(=O)CCC(=O)Nc2ccc(C)cc2[O-])cc1 ZINC000008189244 170323582 /nfs/dbraw/zinc/32/35/82/170323582.db2.gz LIKLXBFZEPEJTC-UHFFFAOYSA-N -1 3 297.354 3.611 50 0 CHAAHM CSCc1cccc(C(=O)Nc2ccc(C)cc2[O-])c1 ZINC000008241891 170326556 /nfs/dbraw/zinc/32/65/56/170326556.db2.gz RTHPKOWQOJQORN-UHFFFAOYSA-N -1 3 287.384 3.816 50 0 CHAAHM COc1ccc(/C=C\c2noc(-c3ccccc3[O-])n2)cc1 ZINC000038184314 174136013 /nfs/dbraw/zinc/13/60/13/174136013.db2.gz NNGXWSJCTXANCH-FLIBITNWSA-N -1 3 294.310 3.621 50 0 CHAAHM CCc1cc(=O)[n-]c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000036755314 260039002 /nfs/dbraw/zinc/03/90/02/260039002.db2.gz ORPYQDIRQQFHMN-UHFFFAOYSA-N -1 3 276.339 3.666 50 0 CHAAHM CCc1ccc([O-])c(C(=O)N2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000170626938 567015759 /nfs/dbraw/zinc/01/57/59/567015759.db2.gz QRCADADDRCHIJN-IBGZPJMESA-N -1 3 299.414 3.917 50 0 CHAAHM O=C(Nc1ccccc1[O-])c1cccc2ccccc21 ZINC000000362701 567827015 /nfs/dbraw/zinc/82/70/15/567827015.db2.gz AUQLBXGRHXRGCX-UHFFFAOYSA-N -1 3 263.296 3.798 50 0 CHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000002181343 567845271 /nfs/dbraw/zinc/84/52/71/567845271.db2.gz UVMNPLNJJKHKTF-UHFFFAOYSA-N -1 3 299.754 3.588 50 0 CHAAHM O=c1cc([O-])c(-c2ccc(Cl)c(Cl)c2)c(Cl)[nH]1 ZINC000015923758 567871702 /nfs/dbraw/zinc/87/17/02/567871702.db2.gz ZXYWDLRGCPHISU-UHFFFAOYSA-N -1 3 290.533 3.708 50 0 CHAAHM Cc1[nH]c2ccc(C)cc2c1CC(=O)Nc1ccccc1[O-] ZINC000024662044 567882566 /nfs/dbraw/zinc/88/25/66/567882566.db2.gz WLURQXZONZVKEU-UHFFFAOYSA-N -1 3 294.354 3.672 50 0 CHAAHM Cc1ccc(Cc2cnc(CN3CCCCC3)c([O-])c2)cc1 ZINC000000321197 567887584 /nfs/dbraw/zinc/88/75/84/567887584.db2.gz NVHMLKDFDKFDBY-UHFFFAOYSA-N -1 3 296.414 3.672 50 0 CHAAHM CC(=O)c1cc(-c2cccc3cccnc32)ccc1[O-] ZINC000065454531 567899377 /nfs/dbraw/zinc/89/93/77/567899377.db2.gz IJANXXLNGOELDV-UHFFFAOYSA-N -1 3 263.296 3.810 50 0 CHAAHM COc1cc(-c2nc3ccccc3[nH]2)cc(Cl)c1[O-] ZINC000067886029 567900496 /nfs/dbraw/zinc/90/04/96/567900496.db2.gz PCLIRCXPABBKIU-UHFFFAOYSA-N -1 3 274.707 3.598 50 0 CHAAHM CC(C)CC[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000023993840 567926703 /nfs/dbraw/zinc/92/67/03/567926703.db2.gz VXBFHTFNJXCAEA-SECBINFHSA-N -1 3 295.857 3.505 50 0 CHAAHM [O-]c1cc(O)ccc1SC(F)(F)[C@H](F)C(F)(F)F ZINC000000549582 567942987 /nfs/dbraw/zinc/94/29/87/567942987.db2.gz SSJAJMAXKCAXDM-SSDOTTSWSA-N -1 3 292.200 3.683 50 0 CHAAHM [O-]c1cc(O)ccc1SC(F)(F)[C@@H](F)C(F)(F)F ZINC000000549583 567943088 /nfs/dbraw/zinc/94/30/88/567943088.db2.gz SSJAJMAXKCAXDM-ZETCQYMHSA-N -1 3 292.200 3.683 50 0 CHAAHM Cc1ccc([O-])c(CN(Cc2ccco2)[C@@H](C)C(C)C)n1 ZINC000055393683 570243140 /nfs/dbraw/zinc/24/31/40/570243140.db2.gz SXRYYJURSAFUCL-AWEZNQCLSA-N -1 3 288.391 3.735 50 0 CHAAHM Cc1[nH]c2ccc(C(=O)Nc3ccccc3[O-])cc2c1C ZINC000013005871 570354308 /nfs/dbraw/zinc/35/43/08/570354308.db2.gz PXJHDLJFFUDNBO-UHFFFAOYSA-N -1 3 280.327 3.743 50 0 CHAAHM O=C(Nc1ccccc1[O-])c1ccccc1SC(F)F ZINC000028689786 570397986 /nfs/dbraw/zinc/39/79/86/570397986.db2.gz SRGJJDDZLIRVRW-UHFFFAOYSA-N -1 3 295.310 3.959 50 0 CHAAHM O=C(OCc1ccc(F)cc1Cl)c1ccc([O-])cc1 ZINC000003431369 1121020838 /nfs/dbraw/zinc/02/08/38/1121020838.db2.gz ZVFSKAXPWTVHSN-UHFFFAOYSA-N -1 3 280.682 3.542 50 0 CHAAHM Cc1ccc(Nc2nc(-c3ccc(O)cc3[O-])cs2)nc1 ZINC000000202307 169572954 /nfs/dbraw/zinc/57/29/54/169572954.db2.gz MXQOUXZQAKJDCN-UHFFFAOYSA-N -1 3 299.355 3.668 50 0 CHAAHM CCOc1ccc(-c2n[nH]cc2Oc2ccccc2)c([O-])c1 ZINC000004786043 170017241 /nfs/dbraw/zinc/01/72/41/170017241.db2.gz VHIJNQUDGOJEGI-UHFFFAOYSA-N -1 3 296.326 3.973 50 0 CHAAHM CCCc1cc(=O)[n-]c(Nc2cc(Cl)ccc2Cl)n1 ZINC000005625374 170121771 /nfs/dbraw/zinc/12/17/71/170121771.db2.gz CXUYYOBHIUZDDJ-UHFFFAOYSA-N -1 3 298.173 3.773 50 0 CHAAHM Cc1ccc2[nH]c([C@@H]3CC[C@@](C)(C(=O)[O-])C3(C)C)nc2c1 ZINC000006413531 170199375 /nfs/dbraw/zinc/19/93/75/170199375.db2.gz OBWBVBGCJSKNJY-GTNSWQLSSA-N -1 3 286.375 3.866 50 0 CHAAHM Cc1ccc2nc([C@@H]3CC[C@@](C)(C(=O)[O-])C3(C)C)[nH]c2c1 ZINC000006413531 170199377 /nfs/dbraw/zinc/19/93/77/170199377.db2.gz OBWBVBGCJSKNJY-GTNSWQLSSA-N -1 3 286.375 3.866 50 0 CHAAHM FC(F)(F)c1cc(Cl)ccc1Nc1n[nH]c(=S)[n-]1 ZINC000006505455 170207921 /nfs/dbraw/zinc/20/79/21/170207921.db2.gz DVLSCKJJHXCVNV-UHFFFAOYSA-N -1 3 294.689 3.883 50 0 CHAAHM CCCc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000006731296 170235667 /nfs/dbraw/zinc/23/56/67/170235667.db2.gz QFUWCZLXXMRKIQ-UHFFFAOYSA-N -1 3 293.363 3.579 50 0 CHAAHM CC(C)c1ccc(CNCc2ccc(C(=O)[O-])cc2)cc1 ZINC000007009359 170262213 /nfs/dbraw/zinc/26/22/13/170262213.db2.gz HNPZWJJBLWSRGN-UHFFFAOYSA-N -1 3 283.371 3.798 50 0 CHAAHM [O-]c1cc(O)ccc1-c1csc(COc2ccccc2)n1 ZINC000009530716 170380729 /nfs/dbraw/zinc/38/07/29/170380729.db2.gz ITIIVXZFUZSNPM-UHFFFAOYSA-N -1 3 299.351 3.800 50 0 CHAAHM O=C([N-]c1ccccc1SC(F)F)c1ccco1 ZINC000009609523 170383060 /nfs/dbraw/zinc/38/30/60/170383060.db2.gz DNJYAJKCFJVLOO-UHFFFAOYSA-N -1 3 269.272 3.847 50 0 CHAAHM [O-]c1ccc2c(c1)onc2Cc1ccc(Cl)cc1 ZINC000011865343 170451042 /nfs/dbraw/zinc/45/10/42/170451042.db2.gz WQSAXQKHILTNJJ-UHFFFAOYSA-N -1 3 259.692 3.778 50 0 CHAAHM CC[C@H](N[C@H](C)c1cc(F)c(Cl)cc1Cl)C(=O)[O-] ZINC000263566515 522735819 /nfs/dbraw/zinc/73/58/19/522735819.db2.gz GCTPMIZMJMIFIM-KBUNVGBDSA-N -1 3 294.153 3.646 50 0 CHAAHM CC(C)COc1ccc(CC(=O)Nc2ccccc2[O-])cc1 ZINC000084544454 566885272 /nfs/dbraw/zinc/88/52/72/566885272.db2.gz DAHZRTWBRAWPRB-UHFFFAOYSA-N -1 3 299.370 3.608 50 0 CHAAHM Cc1cc(Nc2ccc(O)cc2)c2cc(C(=O)[O-])ccc2n1 ZINC000004226495 567192168 /nfs/dbraw/zinc/19/21/68/567192168.db2.gz DRHHHFOKLWRFPF-UHFFFAOYSA-N -1 3 294.310 3.691 50 0 CHAAHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000000295258 567824343 /nfs/dbraw/zinc/82/43/43/567824343.db2.gz INLULBFZUBITGZ-UHFFFAOYSA-N -1 3 295.791 3.758 50 0 CHAAHM CCc1cccc(C)c1[N-]S(=O)(=O)c1ccccc1C ZINC000000383757 567827986 /nfs/dbraw/zinc/82/79/86/567827986.db2.gz FFIHZFDVWXPSRW-UHFFFAOYSA-N -1 3 289.400 3.667 50 0 CHAAHM Cc1[nH]nc(-c2ccc(O)cc2[O-])c1-c1ccccc1C ZINC000000390271 567828427 /nfs/dbraw/zinc/82/84/27/567828427.db2.gz IAMQHNARMKMUFE-UHFFFAOYSA-N -1 3 280.327 3.772 50 0 CHAAHM Cc1cccc(C(=O)c2c[nH]nc2-c2cc(C)ccc2[O-])c1 ZINC000000459169 567831363 /nfs/dbraw/zinc/83/13/63/567831363.db2.gz CSMWGBGIIJHOLA-UHFFFAOYSA-N -1 3 292.338 3.630 50 0 CHAAHM CCCc1nc(-c2ccccc2[O-])n(-c2ccccc2)n1 ZINC000013130658 567865368 /nfs/dbraw/zinc/86/53/68/567865368.db2.gz KHKRMENPIRALFW-UHFFFAOYSA-N -1 3 279.343 3.592 50 0 CHAAHM CCCCS(=O)(=O)[N-]c1cc(C(C)(C)C)ccc1OC ZINC000013322997 567865628 /nfs/dbraw/zinc/86/56/28/567865628.db2.gz KVKBBKGGOJXQPL-UHFFFAOYSA-N -1 3 299.436 3.535 50 0 CHAAHM C[C@@H]1CCc2sc(C(=O)Nc3ccccc3[O-])cc2C1 ZINC000014180152 567868481 /nfs/dbraw/zinc/86/84/81/567868481.db2.gz BRVJKOFNZHQEFH-SNVBAGLBSA-N -1 3 287.384 3.831 50 0 CHAAHM O=C(Nc1ccccc1)c1c[n-]c2c(Cl)cccc2c1=O ZINC000015108045 567870260 /nfs/dbraw/zinc/87/02/60/567870260.db2.gz UIZMHYHOKPQVBY-UHFFFAOYSA-N -1 3 298.729 3.846 50 0 CHAAHM O=C(Nc1ccccc1)c1cnc2c(Cl)cccc2c1[O-] ZINC000015108045 567870261 /nfs/dbraw/zinc/87/02/61/567870261.db2.gz UIZMHYHOKPQVBY-UHFFFAOYSA-N -1 3 298.729 3.846 50 0 CHAAHM Cc1cccc(-c2noc(-c3cc(-c4ccco4)n[n-]3)n2)c1 ZINC000017135525 567875010 /nfs/dbraw/zinc/87/50/10/567875010.db2.gz QERFYXRYNRCBRR-UHFFFAOYSA-N -1 3 292.298 3.695 50 0 CHAAHM Cc1cccc(-c2noc(-c3cc(-c4ccco4)[n-]n3)n2)c1 ZINC000017135525 567875012 /nfs/dbraw/zinc/87/50/12/567875012.db2.gz QERFYXRYNRCBRR-UHFFFAOYSA-N -1 3 292.298 3.695 50 0 CHAAHM CCOc1ccc(-c2ccc(C(C)=O)c([O-])c2)cc1 ZINC000004645119 567888241 /nfs/dbraw/zinc/88/82/41/567888241.db2.gz DWDWQXSRXPLKRY-UHFFFAOYSA-N -1 3 256.301 3.661 50 0 CHAAHM CC(C)CC[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000023993842 567926876 /nfs/dbraw/zinc/92/68/76/567926876.db2.gz VXBFHTFNJXCAEA-VIFPVBQESA-N -1 3 295.857 3.505 50 0 CHAAHM O=C([N-]c1nnc(/C=C\c2ccccc2)s1)c1ccco1 ZINC000033400461 570312180 /nfs/dbraw/zinc/31/21/80/570312180.db2.gz VHKZQKMURKDWFP-HJWRWDBZSA-N -1 3 297.339 3.554 50 0 CHAAHM COc1ccc(-c2n[nH]cc2-c2ccccc2)c([O-])c1C ZINC000004755585 170012531 /nfs/dbraw/zinc/01/25/31/170012531.db2.gz QAGFFBCOJCZCLX-UHFFFAOYSA-N -1 3 280.327 3.766 50 0 CHAAHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(F)cc2)c(C)c1 ZINC000005009359 170054901 /nfs/dbraw/zinc/05/49/01/170054901.db2.gz OHWQFHNXCYMDCP-UHFFFAOYSA-N -1 3 293.363 3.552 50 0 CHAAHM O=c1[n-]c(-c2ccc(Cl)cc2)nc2c3ccccc3oc21 ZINC000005129915 170069054 /nfs/dbraw/zinc/06/90/54/170069054.db2.gz YSCRTZZQYTWUSN-UHFFFAOYSA-N -1 3 296.713 3.990 50 0 CHAAHM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000006742431 170238068 /nfs/dbraw/zinc/23/80/68/170238068.db2.gz MLGUUEZRZMBBJO-UHFFFAOYSA-N -1 3 299.754 3.588 50 0 CHAAHM Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2F)c([O-])c1 ZINC000009337077 170372822 /nfs/dbraw/zinc/37/28/22/170372822.db2.gz JMXYSSKNGBFKKP-QWHCGFSZSA-N -1 3 285.318 3.582 50 0 CHAAHM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccccc1F ZINC000039968679 174180638 /nfs/dbraw/zinc/18/06/38/174180638.db2.gz OLKMZRRIHFOFNN-UHFFFAOYSA-N -1 3 299.754 3.588 50 0 CHAAHM [O-]c1ccc2c(c1)onc2-c1cc(F)c(F)c(F)c1 ZINC000040165590 174197518 /nfs/dbraw/zinc/19/75/18/174197518.db2.gz GJOZSICLHIQDTN-UHFFFAOYSA-N -1 3 265.190 3.618 50 0 CHAAHM Cc1nc(C(=O)Nc2ccccc2[O-])c(C(C)C)s1 ZINC000072402610 176397171 /nfs/dbraw/zinc/39/71/71/176397171.db2.gz VBGCIGYRDPSHOP-UHFFFAOYSA-N -1 3 276.361 3.533 50 0 CHAAHM Cc1ccc([O-])c(C(=O)N[C@H](C)c2ccccc2C)c1 ZINC000012767447 566883403 /nfs/dbraw/zinc/88/34/03/566883403.db2.gz BSMWXTAWYRVTJZ-CYBMUJFWSA-N -1 3 269.344 3.500 50 0 CHAAHM CCCCc1cc(C(=O)Cc2ccccc2)c(O)cc1[O-] ZINC000002029147 566981941 /nfs/dbraw/zinc/98/19/41/566981941.db2.gz PWHXLVGLHQFALJ-UHFFFAOYSA-N -1 3 284.355 3.866 50 0 biogenic CHAAHM Cc1cc2nnc(-c3ccccc3[O-])n2c2ccccc12 ZINC000002242139 567074632 /nfs/dbraw/zinc/07/46/32/567074632.db2.gz OIRCKFKTZJOEMS-UHFFFAOYSA-N -1 3 275.311 3.564 50 0 CHAAHM O=C(Cc1cccc2ccccc21)[N-]OCc1ccccc1 ZINC000010318820 567205404 /nfs/dbraw/zinc/20/54/04/567205404.db2.gz YEZZPISNEMFZNV-UHFFFAOYSA-N -1 3 291.350 3.630 50 0 CHAAHM Cc1cccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000000247730 567822806 /nfs/dbraw/zinc/82/28/06/567822806.db2.gz CNQCMKHNIQPEMO-UHFFFAOYSA-N -1 3 289.400 3.721 50 0 CHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c(C)c1 ZINC000000380191 567827930 /nfs/dbraw/zinc/82/79/30/567827930.db2.gz SSQKLYOJQHOZOO-UHFFFAOYSA-N -1 3 295.791 3.758 50 0 CHAAHM CCCCc1ccc(C(=O)Nc2ccccc2[O-])cc1 ZINC000002023200 567844030 /nfs/dbraw/zinc/84/40/30/567844030.db2.gz IKXKVFLYQGESHW-UHFFFAOYSA-N -1 3 269.344 3.987 50 0 CHAAHM Cc1cccc(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000002878981 567849775 /nfs/dbraw/zinc/84/97/75/567849775.db2.gz LYLALVIXUCNBBC-UHFFFAOYSA-N -1 3 261.708 3.606 50 0 CHAAHM CSCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000013638324 567866574 /nfs/dbraw/zinc/86/65/74/567866574.db2.gz QZOVGNHOYNVKNP-UHFFFAOYSA-N -1 3 288.397 3.515 50 0 CHAAHM C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccccc2[O-])o1 ZINC000014110847 567868266 /nfs/dbraw/zinc/86/82/66/567868266.db2.gz KYKGYKJCXZAODC-DGCLKSJQSA-N -1 3 285.343 3.680 50 0 CHAAHM Cc1ccc(CCC(=O)Nc2ccccc2[O-])c(C)c1 ZINC000010633591 567876763 /nfs/dbraw/zinc/87/67/63/567876763.db2.gz RHBPXELUUVSUDK-UHFFFAOYSA-N -1 3 269.344 3.580 50 0 CHAAHM Cc1ccc(NC(=S)N[C@H]2CCCC[C@H]2C)c([O-])c1 ZINC000010751578 567881034 /nfs/dbraw/zinc/88/10/34/567881034.db2.gz JCMZNVZQFKKSKZ-NEPJUHHUSA-N -1 3 278.421 3.566 50 0 CHAAHM [O-]c1cc(O)ccc1-c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000011865161 567928610 /nfs/dbraw/zinc/92/86/10/567928610.db2.gz LPHHFJGUUOZXBF-UHFFFAOYSA-N -1 3 286.718 3.808 50 0 CHAAHM CC[C@@H](C(=O)Nc1ccc(C)cc1[O-])c1ccccc1 ZINC000004666610 567938295 /nfs/dbraw/zinc/93/82/95/567938295.db2.gz YTLDMXHICZPKQT-CQSZACIVSA-N -1 3 269.344 3.833 50 0 CHAAHM Cc1ccc(C(=O)[N-]c2nnc(C3CCCCC3)s2)o1 ZINC000001055084 570323871 /nfs/dbraw/zinc/32/38/71/570323871.db2.gz ZRLDWPXGDJZQRS-UHFFFAOYSA-N -1 3 291.376 3.740 50 0 CHAAHM CCc1ccc(NC(=O)c2[n-]nc(C3CC3)c2Cl)cc1 ZINC000079074409 570396434 /nfs/dbraw/zinc/39/64/34/570396434.db2.gz GJXONWBBBHWWHH-UHFFFAOYSA-N -1 3 289.766 3.755 50 0 CHAAHM CC(C)Sc1ccc(C(=O)Nc2ncccc2[O-])cc1 ZINC000048268732 1120806254 /nfs/dbraw/zinc/80/62/54/1120806254.db2.gz BNSIEDIKJAXMRZ-UHFFFAOYSA-N -1 3 288.372 3.540 50 0 CHAAHM Cc1ccc(NC(=O)c2cccc([O-])c2)c(Cl)c1 ZINC000020298990 260118034 /nfs/dbraw/zinc/11/80/34/260118034.db2.gz SKSYBYRPGKHVEL-UHFFFAOYSA-N -1 3 261.708 3.606 50 0 CHAAHM O=C1Nc2cc(Cl)ccc2/C1=C/c1ccc([O-])cc1 ZINC000096662885 185108611 /nfs/dbraw/zinc/10/86/11/185108611.db2.gz XQWVECALWKJTNF-QPEQYQDCSA-N -1 3 271.703 3.538 50 0 CHAAHM Cc1ccc2oc(=O)c(-c3ccc([O-])cc3)c(C)c2c1 ZINC000000057837 169521205 /nfs/dbraw/zinc/52/12/05/169521205.db2.gz VHDNSQUTVWULEW-UHFFFAOYSA-N -1 3 266.296 3.782 50 0 CHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)cc1 ZINC000004742121 170009164 /nfs/dbraw/zinc/00/91/64/170009164.db2.gz ZKZUQANVEIRMMZ-UHFFFAOYSA-N -1 3 287.384 3.673 50 0 CHAAHM O=c1oc2ccccc2cc1-c1nc2cc(Cl)ccc2[n-]1 ZINC000005615350 170120304 /nfs/dbraw/zinc/12/03/04/170120304.db2.gz SJDMZAIFZDPOMB-UHFFFAOYSA-N -1 3 296.713 3.990 50 0 CHAAHM O=c1oc2ccccc2cc1-c1nc2ccc(Cl)cc2[n-]1 ZINC000005615350 170120306 /nfs/dbraw/zinc/12/03/06/170120306.db2.gz SJDMZAIFZDPOMB-UHFFFAOYSA-N -1 3 296.713 3.990 50 0 CHAAHM Cc1ccc(NC(=O)c2ccc(Cl)cc2)c([O-])c1 ZINC000006454049 170202618 /nfs/dbraw/zinc/20/26/18/170202618.db2.gz SIFUWZOFBGZSTR-UHFFFAOYSA-N -1 3 261.708 3.606 50 0 CHAAHM C[C@H](NC(=O)c1ccccc1[O-])C12CC3CC(CC(C3)C1)C2 ZINC000006668514 170224516 /nfs/dbraw/zinc/22/45/16/170224516.db2.gz PPQYHTFSCYZVGE-UHSVVUDUSA-N -1 3 299.414 3.727 50 0 CHAAHM Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)c(C)c1 ZINC000007053046 170264094 /nfs/dbraw/zinc/26/40/94/170264094.db2.gz SYCPFJJZIGMBFB-UHFFFAOYSA-N -1 3 289.400 3.721 50 0 CHAAHM Cc1ccc(NC(=O)CCn2ccc3ccccc32)c([O-])c1 ZINC000008139769 170320986 /nfs/dbraw/zinc/32/09/86/170320986.db2.gz NYFGFVFMPKQOBI-UHFFFAOYSA-N -1 3 294.354 3.684 50 0 CHAAHM CCc1cc(C(=O)Nc2ccc(C)cc2[O-])sc1C ZINC000008378587 170333980 /nfs/dbraw/zinc/33/39/80/170333980.db2.gz KBMFYIUPTSAOPY-UHFFFAOYSA-N -1 3 275.373 3.885 50 0 CHAAHM O=c1cc(-c2ccccc2Cl)nc(Nc2ccccc2)[n-]1 ZINC000009264695 170369329 /nfs/dbraw/zinc/36/93/29/170369329.db2.gz KCXVJSVTBDVWAW-UHFFFAOYSA-N -1 3 297.745 3.834 50 0 CHAAHM CC(C)c1ccc(C(=O)Nc2ccccc2[O-])cc1 ZINC000009478284 170377738 /nfs/dbraw/zinc/37/77/38/170377738.db2.gz VMTSUKZLARADBL-UHFFFAOYSA-N -1 3 255.317 3.768 50 0 CHAAHM Cc1cc(C)c2oc(-c3ccc([O-])cc3)cc(=O)c2c1 ZINC000020272605 171127160 /nfs/dbraw/zinc/12/71/60/171127160.db2.gz OFKORUIULNKNTE-UHFFFAOYSA-N -1 3 266.296 3.782 50 0 CHAAHM Cc1ccc(NC(=O)c2ccc([O-])cc2)c(Cl)c1 ZINC000020363018 171161657 /nfs/dbraw/zinc/16/16/57/171161657.db2.gz OZCKMUSJRXYFBT-UHFFFAOYSA-N -1 3 261.708 3.606 50 0 CHAAHM CCc1ccccc1C(=O)Nc1c(C)cccc1[O-] ZINC000192442232 566973282 /nfs/dbraw/zinc/97/32/82/566973282.db2.gz AFRNUWNICLCXPK-UHFFFAOYSA-N -1 3 255.317 3.515 50 0 CHAAHM Cc1cc(NC(=O)c2ccccc2)c(C)c(Cl)c1[O-] ZINC000016779930 567025644 /nfs/dbraw/zinc/02/56/44/567025644.db2.gz VFZLZTDNGQYBSY-UHFFFAOYSA-N -1 3 275.735 3.915 50 0 CHAAHM Cc1ccc2oc(-c3ccccc3F)c([O-])c(=O)c2c1 ZINC000000115249 567034690 /nfs/dbraw/zinc/03/46/90/567034690.db2.gz SRGISZMLULLRBT-UHFFFAOYSA-N -1 3 270.259 3.613 50 0 CHAAHM COc1cc(-c2nc3ccccc3s2)cc(OC)c1[O-] ZINC000000401674 567055424 /nfs/dbraw/zinc/05/54/24/567055424.db2.gz PHSQSVCORPBGNP-UHFFFAOYSA-N -1 3 287.340 3.686 50 0 CHAAHM Cc1cc(C)c2c(c1)[nH]c([O-])c(-c1ccccc1)c2=O ZINC000055142570 567110146 /nfs/dbraw/zinc/11/01/46/567110146.db2.gz PPLSLNORHQCJDZ-UHFFFAOYSA-N -1 3 265.312 3.518 50 0 biogenic,in-vitro CHAAHM Cc1cc(C)c2c([O-])c(-c3ccccc3)c(=O)[nH]c2c1 ZINC000055142570 567110153 /nfs/dbraw/zinc/11/01/53/567110153.db2.gz PPLSLNORHQCJDZ-UHFFFAOYSA-N -1 3 265.312 3.518 50 0 biogenic,in-vitro CHAAHM CCN(CC)c1ccc(NC(=O)c2cc(C)ccc2[O-])cc1 ZINC000031911277 567185399 /nfs/dbraw/zinc/18/53/99/567185399.db2.gz DGQWJFWYCSARSR-UHFFFAOYSA-N -1 3 298.386 3.799 50 0 CHAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C)c(C)c1 ZINC000000029196 567816426 /nfs/dbraw/zinc/81/64/26/567816426.db2.gz VVJSBVKCIMPCNM-UHFFFAOYSA-N -1 3 289.400 3.721 50 0 CHAAHM COc1cc(Cl)ccc1NC(=O)Nc1ccccc1[O-] ZINC000000400419 567829233 /nfs/dbraw/zinc/82/92/33/567829233.db2.gz IYODSFWRYWPVSR-UHFFFAOYSA-N -1 3 292.722 3.698 50 0 CHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)c(C)c1 ZINC000000572735 567834013 /nfs/dbraw/zinc/83/40/13/567834013.db2.gz MBDQNISSBBMRBH-UHFFFAOYSA-N -1 3 289.400 3.721 50 0 CHAAHM CC(C)c1ccc2oc(-c3cc(N)ccc3[O-])nc2c1 ZINC000013126481 567865165 /nfs/dbraw/zinc/86/51/65/567865165.db2.gz KCMRQRBEYMBAAY-UHFFFAOYSA-N -1 3 268.316 3.906 50 0 aggregator CHAAHM O=C([N-]c1nnc(/C=C/c2ccccc2)s1)c1ccco1 ZINC000017249356 567875239 /nfs/dbraw/zinc/87/52/39/567875239.db2.gz VHKZQKMURKDWFP-CMDGGOBGSA-N -1 3 297.339 3.554 50 0 CHAAHM Cc1[nH]nc(-c2ccc(O)c(C)c2[O-])c1Oc1ccccc1 ZINC000018189281 567876736 /nfs/dbraw/zinc/87/67/36/567876736.db2.gz HXVFRQYCTJRNBG-UHFFFAOYSA-N -1 3 296.326 3.897 50 0 CHAAHM Cc1ccc(C(=O)Nc2ccccc2[O-])cc1-n1cccc1 ZINC000011679703 567923304 /nfs/dbraw/zinc/92/33/04/567923304.db2.gz LTPXZQZBQDFPOK-UHFFFAOYSA-N -1 3 292.338 3.744 50 0 CHAAHM COc1ccc(-c2nc3cc(C)ccc3[nH]2)c(Cl)c1[O-] ZINC000055155050 570241212 /nfs/dbraw/zinc/24/12/12/570241212.db2.gz HMIJGPFPZGCHCU-UHFFFAOYSA-N -1 3 288.734 3.906 50 0 CHAAHM COc1ccc(-c2nc3ccc(C)cc3[nH]2)c(Cl)c1[O-] ZINC000055155050 570241216 /nfs/dbraw/zinc/24/12/16/570241216.db2.gz HMIJGPFPZGCHCU-UHFFFAOYSA-N -1 3 288.734 3.906 50 0 CHAAHM O=c1ccnc(C=Cc2ccc(SC(F)(F)F)cc2)[n-]1 ZINC000078899203 1118163031 /nfs/dbraw/zinc/16/30/31/1118163031.db2.gz KNNMKLJKSJLVKF-ZZXKWVIFSA-N -1 3 298.289 3.552 50 0 CHAAHM CC(C)(C)c1cc(C(=O)c2ccccc2)ccc1[O-] ZINC000013858773 1123788794 /nfs/dbraw/zinc/78/87/94/1123788794.db2.gz UEAPCHXAHIUTLR-UHFFFAOYSA-N -1 3 254.329 3.921 50 0 CHAAHM O=C(Nc1ccc([O-])cc1F)c1ccc(Cl)c(F)c1 ZINC000124554207 230394636 /nfs/dbraw/zinc/39/46/36/230394636.db2.gz KFHMGMPXUYERNJ-UHFFFAOYSA-N -1 3 283.661 3.576 50 0 CHAAHM O=C(c1sccc1Cl)N1CCCc2cccc([O-])c21 ZINC000163000091 230395032 /nfs/dbraw/zinc/39/50/32/230395032.db2.gz CXWICQXNPQRCKE-UHFFFAOYSA-N -1 3 293.775 3.700 50 0 CHAAHM CC(=O)c1csc(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000095974012 185049649 /nfs/dbraw/zinc/04/96/49/185049649.db2.gz COLLHXBTTKWPAG-UHFFFAOYSA-N -1 3 295.747 3.562 50 0 CHAAHM COc1ccc(-c2n[nH]c(C)c2-c2ccccc2)c([O-])c1 ZINC000004755850 170012611 /nfs/dbraw/zinc/01/26/11/170012611.db2.gz WJOZQIPKHXGMSG-UHFFFAOYSA-N -1 3 280.327 3.766 50 0 CHAAHM Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)c([O-])c1 ZINC000005066026 170063213 /nfs/dbraw/zinc/06/32/13/170063213.db2.gz RPBRCSLXSXCFOW-UHFFFAOYSA-N -1 3 295.260 3.972 50 0 CHAAHM COc1ccc(-c2n[nH]c(C)c2-c2ccc(F)cc2)c([O-])c1 ZINC000005123814 170068456 /nfs/dbraw/zinc/06/84/56/170068456.db2.gz QDXRHGKAGJWXAX-UHFFFAOYSA-N -1 3 298.317 3.905 50 0 CHAAHM COc1ccc(-c2cnoc2-c2ccc(OC)cc2[O-])cc1 ZINC000005450973 170100279 /nfs/dbraw/zinc/10/02/79/170100279.db2.gz PEVNUEUZMKARKC-UHFFFAOYSA-N -1 3 297.310 3.731 50 0 CHAAHM CC(C)c1ccc(C(=O)COC(=O)c2ccc([O-])cc2)cc1 ZINC000005694355 170129844 /nfs/dbraw/zinc/12/98/44/170129844.db2.gz PHZYZXYZIXEINR-UHFFFAOYSA-N -1 3 298.338 3.555 50 0 CHAAHM Cc1ccc(F)c([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000007428489 170284408 /nfs/dbraw/zinc/28/44/08/170284408.db2.gz VIDZQROQWBATLN-UHFFFAOYSA-N -1 3 299.754 3.588 50 0 CHAAHM O=C(COc1ccc2ccccc2c1)Nc1ccccc1[O-] ZINC000009751770 170385362 /nfs/dbraw/zinc/38/53/62/170385362.db2.gz OGVYKCQCTXDHIH-UHFFFAOYSA-N -1 3 293.322 3.563 50 0 CHAAHM COc1ccccc1Cc1nc2ccccc2[n-]c1=S ZINC000020848031 171276092 /nfs/dbraw/zinc/27/60/92/171276092.db2.gz TZMBTEQJNUCTKQ-UHFFFAOYSA-N -1 3 282.368 3.892 50 0 CHAAHM CCOc1ccc([N-]c2nc(-c3ccccc3)no2)cc1 ZINC000020996748 171284366 /nfs/dbraw/zinc/28/43/66/171284366.db2.gz IFWPFGRJILLKLH-UHFFFAOYSA-N -1 3 281.315 3.879 50 0 CHAAHM C[C@@H](NC(=O)c1c[n-]nc1-c1cccs1)c1ccccc1 ZINC000072329465 176370139 /nfs/dbraw/zinc/37/01/39/176370139.db2.gz TUJFBCQNQZNLOK-LLVKDONJSA-N -1 3 297.383 3.629 50 0 CHAAHM O=c1c(-c2ccccc2)cnc2c(-c3ccccc3)c[n-]n21 ZINC000004673500 566871390 /nfs/dbraw/zinc/87/13/90/566871390.db2.gz NNQGEFHNISOBMM-INIZCTEOSA-N -1 3 287.322 3.690 50 0 CHAAHM O=c1[n-]c(-c2ccccc2)c(Cl)nc1-c1ccccc1 ZINC000075284458 566939631 /nfs/dbraw/zinc/93/96/31/566939631.db2.gz NOJPSMUFGNOMRX-UHFFFAOYSA-N -1 3 282.730 3.757 50 0 CHAAHM COc1ccc(-c2n[nH]c(C)c2Oc2ccccc2)c([O-])c1 ZINC000018060295 566979148 /nfs/dbraw/zinc/97/91/48/566979148.db2.gz MRUVKUTZLJLBAM-UHFFFAOYSA-N -1 3 296.326 3.892 50 0 biogenic CHAAHM CCO[C@H](C)c1ccc(-c2n[n-]c(C(F)(F)F)n2)cc1 ZINC000426399334 566987498 /nfs/dbraw/zinc/98/74/98/566987498.db2.gz CQXHGCYCYWYNOE-MRVPVSSYSA-N -1 3 285.269 3.588 50 0 CHAAHM O=c1c([O-])c(-c2ccc(F)cc2)oc2ccc(Cl)cc12 ZINC000096191578 567139552 /nfs/dbraw/zinc/13/95/52/567139552.db2.gz SKCUTTZTNGVIPH-UHFFFAOYSA-N -1 3 290.677 3.958 50 0 CHAAHM Cc1ncsc1C(=O)[N-]c1c(C)noc1-c1ccccc1 ZINC000097115134 567144265 /nfs/dbraw/zinc/14/42/65/567144265.db2.gz SDUFASUSQCBHJM-UHFFFAOYSA-N -1 3 299.355 3.667 50 0 CHAAHM Cc1cc(Cl)ccc1NC(=O)c1ccc([O-])cc1 ZINC000000131815 567819263 /nfs/dbraw/zinc/81/92/63/567819263.db2.gz CUFGLLCXIHPGKQ-UHFFFAOYSA-N -1 3 261.708 3.606 50 0 CHAAHM O=c1nc(Cc2ccccc2)[n-]c2sc3ccccc3c21 ZINC000000407344 567829550 /nfs/dbraw/zinc/82/95/50/567829550.db2.gz AQQKPEIZMJXEFT-UHFFFAOYSA-N -1 3 292.363 3.729 50 0 CHAAHM CCCC[C@@H](CC)COC(=O)c1ccc([O-])cc1 ZINC000002566002 567848134 /nfs/dbraw/zinc/84/81/34/567848134.db2.gz VTIMKVIDORQQFA-GFCCVEGCSA-N -1 3 250.338 3.765 50 0 in-vitro CHAAHM C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccccc2[O-])o1 ZINC000014110850 567868516 /nfs/dbraw/zinc/86/85/16/567868516.db2.gz KYKGYKJCXZAODC-WCQYABFASA-N -1 3 285.343 3.680 50 0 CHAAHM COc1cc(C=O)cc(C23CC4CC(CC(C4)C2)C3)c1[O-] ZINC000041107689 567890903 /nfs/dbraw/zinc/89/09/03/567890903.db2.gz MZXWTRQBWNOFLV-UHFFFAOYSA-N -1 3 286.371 3.681 50 0 CHAAHM Cc1noc(C)c1[N-]C(=O)c1csc(-c2ccccc2)n1 ZINC000058343267 567896087 /nfs/dbraw/zinc/89/60/87/567896087.db2.gz MWCKUQJANMDXLB-UHFFFAOYSA-N -1 3 299.355 3.667 50 0 CHAAHM O=c1cc(Nc2cccc(Cl)c2)[n-]n1-c1ccccc1 ZINC000003156859 567938720 /nfs/dbraw/zinc/93/87/20/567938720.db2.gz KZILQMFZWRQDPL-UHFFFAOYSA-N -1 3 285.734 3.502 50 0 CHAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2F)cc1C ZINC000011613859 570219792 /nfs/dbraw/zinc/21/97/92/570219792.db2.gz XGLXCQKRHGMTEI-UHFFFAOYSA-N -1 3 293.363 3.552 50 0 CHAAHM O=c1c([O-])c(-c2cccs2)oc2ccc(Cl)cc12 ZINC000000139929 570272762 /nfs/dbraw/zinc/27/27/62/570272762.db2.gz NANFYPCPHFMPPQ-UHFFFAOYSA-N -1 3 278.716 3.881 50 0 aggregator CHAAHM CC(C)(C)c1cc2c([n-]c([C@@H]3CCCS3)nc2=O)s1 ZINC000098019089 570383279 /nfs/dbraw/zinc/38/32/79/570383279.db2.gz ZYELGQCRUDOJPF-VIFPVBQESA-N -1 3 294.445 3.850 50 0 CHAAHM Cc1cc(Br)c([O-])c(C(=O)CC(C)C)c1 ZINC000052068558 1119282001 /nfs/dbraw/zinc/28/20/01/1119282001.db2.gz MLQPNJOLDRIUEP-UHFFFAOYSA-N -1 3 271.154 3.692 50 0 CHAAHM C[C@@H](c1nnc([N-]C(=O)c2ccco2)s1)c1ccccc1 ZINC000012383927 1120641986 /nfs/dbraw/zinc/64/19/86/1120641986.db2.gz RNXHWGDRODSVFH-SNVBAGLBSA-N -1 3 299.355 3.535 50 0 CHAAHM CCN([O-])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000095627588 185016970 /nfs/dbraw/zinc/01/69/70/185016970.db2.gz HTBJENWMKDBHRJ-UHFFFAOYSA-N -1 3 283.327 3.647 50 0 CHAAHM [O-]c1cc(Br)cc(OCc2ccccc2)c1 ZINC000261493501 190039317 /nfs/dbraw/zinc/03/93/17/190039317.db2.gz CJHMVGAKBNERSU-UHFFFAOYSA-N -1 3 279.133 3.734 50 0 CHAAHM CCCCOc1ccc2c(c1)C(=O)c1cc([O-])ccc1-2 ZINC000002865841 169838693 /nfs/dbraw/zinc/83/86/93/169838693.db2.gz YNIZLADPUYQUNC-UHFFFAOYSA-N -1 3 268.312 3.783 50 0 CHAAHM c1csc(-c2nc(SCc3ccccc3)n[n-]2)c1 ZINC000005017652 170056249 /nfs/dbraw/zinc/05/62/49/170056249.db2.gz PIMWOFSKCMJDJL-UHFFFAOYSA-N -1 3 273.386 3.826 50 0 CHAAHM Cc1ccc(NC(=O)Cc2ccc(Cl)cc2)c([O-])c1 ZINC000005066038 170063204 /nfs/dbraw/zinc/06/32/04/170063204.db2.gz OVHYVMYJHOJPSL-UHFFFAOYSA-N -1 3 275.735 3.535 50 0 CHAAHM Cc1[nH]nc(-c2ccc(O)cc2[O-])c1-c1ccc(F)cc1 ZINC000005123813 170068543 /nfs/dbraw/zinc/06/85/43/170068543.db2.gz SLHWDVOAHKLWKF-UHFFFAOYSA-N -1 3 284.290 3.602 50 0 CHAAHM O=C(Nc1ccccc1[O-])c1ccc2ccccc2c1 ZINC000009478286 170377962 /nfs/dbraw/zinc/37/79/62/170377962.db2.gz CAWPAKCXEXJARL-UHFFFAOYSA-N -1 3 263.296 3.798 50 0 CHAAHM C[C@H](CC(=O)Nc1ccccc1[O-])c1ccccc1 ZINC000009723061 170384980 /nfs/dbraw/zinc/38/49/80/170384980.db2.gz YAOWTDNQEPTARP-GFCCVEGCSA-N -1 3 255.317 3.525 50 0 CHAAHM COc1ccc([C@H]2C[C@@H]2C(=O)c2nc3ccccc3[n-]2)cc1 ZINC000009913682 170390528 /nfs/dbraw/zinc/39/05/28/170390528.db2.gz WWSLKYBYLDZCGQ-KGLIPLIRSA-N -1 3 292.338 3.558 50 0 CHAAHM Cc1ccc2c(c1)S[C@H](C(=O)Nc1ccc(C)cc1[O-])C2 ZINC000010123602 170398235 /nfs/dbraw/zinc/39/82/35/170398235.db2.gz MEJYZJINQXBUNI-INIZCTEOSA-N -1 3 299.395 3.665 50 0 CHAAHM Cc1cccc(C(=O)Nc2cccc(Cl)c2C)c1[O-] ZINC000019230310 534627081 /nfs/dbraw/zinc/62/70/81/534627081.db2.gz OBQDPQRPDQSBDW-UHFFFAOYSA-N -1 3 275.735 3.915 50 0 CHAAHM CSc1ccccc1[N-]C(=O)c1ccc(C(C)=O)s1 ZINC000012778471 566884004 /nfs/dbraw/zinc/88/40/04/566884004.db2.gz WZUSPAKUSKWKIP-UHFFFAOYSA-N -1 3 291.397 3.925 50 0 CHAAHM O=C(Nc1ccccc1[O-])c1occc1-c1ccccc1 ZINC000012875600 566924140 /nfs/dbraw/zinc/92/41/40/566924140.db2.gz LJFCFQIXTOQUJO-UHFFFAOYSA-N -1 3 279.295 3.905 50 0 CHAAHM CC(C)OC(=O)N([O-])c1ccc(Cl)c(Cl)c1 ZINC000000400511 566945834 /nfs/dbraw/zinc/94/58/34/566945834.db2.gz PKLNGUIJAPSHDF-UHFFFAOYSA-N -1 3 264.108 3.734 50 0 CHAAHM Cc1csc([N-]C(=O)c2cc(-c3ccc(C)cc3)no2)n1 ZINC000036391497 567002150 /nfs/dbraw/zinc/00/21/50/567002150.db2.gz UXYKCXFDXGNCAH-UHFFFAOYSA-N -1 3 299.355 3.667 50 0 CHAAHM Cc1cc([N-]C(=O)c2cc3cc(Cl)ccc3o2)no1 ZINC000010435010 567205595 /nfs/dbraw/zinc/20/55/95/567205595.db2.gz QYENHAQZIBKMMF-UHFFFAOYSA-N -1 3 276.679 3.635 50 0 CHAAHM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccccc2[O-])o1 ZINC000014110841 567868240 /nfs/dbraw/zinc/86/82/40/567868240.db2.gz KYKGYKJCXZAODC-YPMHNXCESA-N -1 3 285.343 3.680 50 0 CHAAHM O=C(Nc1ccccc1[O-])c1scc2c1CCCC2 ZINC000000091352 567908712 /nfs/dbraw/zinc/90/87/12/567908712.db2.gz ADTFHCGFDBRSKV-UHFFFAOYSA-N -1 3 273.357 3.585 50 0 CHAAHM Cc1ccc(NC(=O)c2ccc(-n3cccc3)cc2)c([O-])c1 ZINC000017410358 567934967 /nfs/dbraw/zinc/93/49/67/567934967.db2.gz PJKSSYPZHPPQFY-UHFFFAOYSA-N -1 3 292.338 3.744 50 0 CHAAHM Cc1oc2ccc([O-])cc2c1C(=O)c1ccc(C)cc1 ZINC000000499689 567940142 /nfs/dbraw/zinc/94/01/42/567940142.db2.gz ADKYMHQFXZVDKW-UHFFFAOYSA-N -1 3 266.296 3.986 50 0 CHAAHM CC(C)c1csc2[n-]c([C@@H]3CCCS3)nc(=O)c12 ZINC000098019087 570383233 /nfs/dbraw/zinc/38/32/33/570383233.db2.gz VLIZSCUKJAFJNQ-VIFPVBQESA-N -1 3 280.418 3.676 50 0 CHAAHM CC(C)(C)c1cc2c([n-]c([C@H]3CCCS3)nc2=O)s1 ZINC000098019090 570383255 /nfs/dbraw/zinc/38/32/55/570383255.db2.gz ZYELGQCRUDOJPF-SECBINFHSA-N -1 3 294.445 3.850 50 0 CHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)C)cc1 ZINC000000473498 570383266 /nfs/dbraw/zinc/38/32/66/570383266.db2.gz SOUMWBVJKDSJFP-UHFFFAOYSA-N -1 3 289.400 3.919 50 0 CHAAHM CCc1cc(C(=O)Cc2ccccc2Cl)c(O)cc1[O-] ZINC000001463785 1123491144 /nfs/dbraw/zinc/49/11/44/1123491144.db2.gz NTBABEJKGSDXRD-UHFFFAOYSA-N -1 3 290.746 3.739 50 0 CHAAHM Cc1nc(-c2cc(Br)ccc2[O-])cs1 ZINC000085389668 179048005 /nfs/dbraw/zinc/04/80/05/179048005.db2.gz MCYVVGBTTFREEA-UHFFFAOYSA-N -1 3 270.151 3.587 50 0 CHAAHM [O-]c1cc(F)c(OCc2ccccc2)c(Cl)c1 ZINC000261493710 190039715 /nfs/dbraw/zinc/03/97/15/190039715.db2.gz HSAOFURKSGJYOO-UHFFFAOYSA-N -1 3 252.672 3.764 50 0 CHAAHM Cc1ccc(NC(=O)c2ccc(C)c(C)c2)c([O-])c1 ZINC000006454163 170202463 /nfs/dbraw/zinc/20/24/63/170202463.db2.gz CCLDOJIIJJEWLX-UHFFFAOYSA-N -1 3 255.317 3.570 50 0 CHAAHM Cc1cccc(CC(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000008382887 170334299 /nfs/dbraw/zinc/33/42/99/170334299.db2.gz ZFBBFNDAFYOAIV-UHFFFAOYSA-N -1 3 275.735 3.535 50 0 CHAAHM COc1ccc([C@H]2C[C@H]2C(=O)c2nc3ccccc3[n-]2)cc1 ZINC000009913689 170390753 /nfs/dbraw/zinc/39/07/53/170390753.db2.gz WWSLKYBYLDZCGQ-ZIAGYGMSSA-N -1 3 292.338 3.558 50 0 CHAAHM C[C@H](NC(=O)c1ccccc1[O-])c1ccc(Cl)cc1 ZINC000013014398 170528422 /nfs/dbraw/zinc/52/84/22/170528422.db2.gz WVIUUVAXAYAEKK-JTQLQIEISA-N -1 3 275.735 3.537 50 0 CHAAHM CCC[C@@H](C(=O)Nc1ccccc1[O-])c1ccccc1 ZINC000021866384 171334936 /nfs/dbraw/zinc/33/49/36/171334936.db2.gz BVEPHEIIOAJDMR-CQSZACIVSA-N -1 3 269.344 3.915 50 0 CHAAHM CCC[C@H](C(=O)Nc1ccccc1[O-])c1ccccc1 ZINC000021866388 171335081 /nfs/dbraw/zinc/33/50/81/171335081.db2.gz BVEPHEIIOAJDMR-AWEZNQCLSA-N -1 3 269.344 3.915 50 0 CHAAHM O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccccc1[O-] ZINC000040019994 174183119 /nfs/dbraw/zinc/18/31/19/174183119.db2.gz TXCFLGNOSMZNKX-UHFFFAOYSA-N -1 3 295.260 3.592 50 0 CHAAHM C/C(=C\c1cc([O-])ccc1Br)c1cnccn1 ZINC000547490080 334093290 /nfs/dbraw/zinc/09/32/90/334093290.db2.gz RKXSQNPPLZWZKJ-RMKNXTFCSA-N -1 3 291.148 3.505 50 0 CHAAHM [O-]c1ccccc1-c1nnc(-c2ccc(Cl)cc2)o1 ZINC000001400777 566871147 /nfs/dbraw/zinc/87/11/47/566871147.db2.gz AXYLDBSPMXGGIP-UHFFFAOYSA-N -1 3 272.691 3.763 50 0 CHAAHM CCO[C@@H](C)c1ccc(-c2n[n-]c(C(F)(F)F)n2)cc1 ZINC000426399335 566987702 /nfs/dbraw/zinc/98/77/02/566987702.db2.gz CQXHGCYCYWYNOE-QMMMGPOBSA-N -1 3 285.269 3.588 50 0 CHAAHM Cc1cc(-c2ccccc2C(=O)Nc2ccccc2[O-])on1 ZINC000000156738 567820596 /nfs/dbraw/zinc/82/05/96/567820596.db2.gz IMQHTOOGFOBXAT-UHFFFAOYSA-N -1 3 294.310 3.608 50 0 CHAAHM O=Cc1c(/C=C/c2ccoc2)oc2ccc([O-])cc12 ZINC000000167524 567821184 /nfs/dbraw/zinc/82/11/84/567821184.db2.gz UKQCRAJIFBPGOD-HNQUOIGGSA-N -1 3 254.241 3.714 50 0 CHAAHM Cc1ccc(NC(=O)c2cc(-c3ccccc3[O-])on2)cc1 ZINC000003908599 567854619 /nfs/dbraw/zinc/85/46/19/567854619.db2.gz SVWKTMVSSUWMRX-UHFFFAOYSA-N -1 3 294.310 3.608 50 0 CHAAHM COc1ccc(-c2n[nH]cc2-c2ccc(F)cc2)c([O-])c1 ZINC000004643798 567858624 /nfs/dbraw/zinc/85/86/24/567858624.db2.gz OKQAODDUGOVSLD-UHFFFAOYSA-N -1 3 284.290 3.597 50 0 CHAAHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000000248928 567925738 /nfs/dbraw/zinc/92/57/38/567925738.db2.gz ISHCZUMXGVOVSB-UHFFFAOYSA-N -1 3 289.400 3.686 50 0 CHAAHM [O-]c1ccc(OCc2ccccc2)cc1Br ZINC000113858191 567926191 /nfs/dbraw/zinc/92/61/91/567926191.db2.gz HIGLPWLKZYKDNL-UHFFFAOYSA-N -1 3 279.133 3.734 50 0 CHAAHM CC[C@H](C)N(Cc1ccncc1)Cc1ccccc1C(=O)[O-] ZINC000055198577 570241527 /nfs/dbraw/zinc/24/15/27/570241527.db2.gz LOHKIXIDGNXKCF-AWEZNQCLSA-N -1 3 298.386 3.581 50 0 CHAAHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(F)c(C)c2)c1 ZINC000005234376 170077763 /nfs/dbraw/zinc/07/77/63/170077763.db2.gz PGXXYBHGURGHNK-UHFFFAOYSA-N -1 3 293.363 3.552 50 0 CHAAHM [O-]c1ccc(Sc2cccc(C(F)(F)F)c2)nc1 ZINC000005799337 170141628 /nfs/dbraw/zinc/14/16/28/170141628.db2.gz DXLFRPHFFVEKPY-UHFFFAOYSA-N -1 3 271.263 3.957 50 0 CHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1C ZINC000006478019 170204347 /nfs/dbraw/zinc/20/43/47/170204347.db2.gz SAGSRPFUFAHKDM-UHFFFAOYSA-N -1 3 295.791 3.758 50 0 CHAAHM O=C(c1nc2ccccc2[n-]1)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000009913630 170390782 /nfs/dbraw/zinc/39/07/82/170390782.db2.gz XLMQVSNYCUHXNE-OLZOCXBDSA-N -1 3 280.302 3.688 50 0 CHAAHM O=C(Nc1ccccc1[O-])c1ccccc1C(F)(F)F ZINC000040476220 174282843 /nfs/dbraw/zinc/28/28/43/174282843.db2.gz AOXJIDSQNUJXPN-UHFFFAOYSA-N -1 3 281.233 3.663 50 0 CHAAHM Cc1cc(C(=O)[N-]c2nc(-c3ccc(C)cc3)cs2)on1 ZINC000009154964 524184587 /nfs/dbraw/zinc/18/45/87/524184587.db2.gz NZUSTDULTGJRHY-UHFFFAOYSA-N -1 3 299.355 3.667 50 0 CHAAHM CSc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000000571883 567834066 /nfs/dbraw/zinc/83/40/66/567834066.db2.gz NUAABJUVHWNRLC-UHFFFAOYSA-N -1 3 293.413 3.518 50 0 CHAAHM S=c1[n-]nc(-c2sc3ccccc3c2Cl)o1 ZINC000002481074 567845835 /nfs/dbraw/zinc/84/58/35/567845835.db2.gz MXBSTXKKPYUUAP-UHFFFAOYSA-N -1 3 268.750 3.893 50 0 CHAAHM O=C(Nc1ccccc1[O-])C1(c2ccccc2)CCCC1 ZINC000002512636 567846378 /nfs/dbraw/zinc/84/63/78/567846378.db2.gz AZDJOFYUVIIQQD-UHFFFAOYSA-N -1 3 281.355 3.843 50 0 CHAAHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2)c1C ZINC000002885226 567850330 /nfs/dbraw/zinc/85/03/30/567850330.db2.gz LKMWDZNAUBXUOI-UHFFFAOYSA-N -1 3 289.400 3.721 50 0 CHAAHM CSc1ccccc1[N-]C(=O)c1cc(C(C)C)on1 ZINC000003908841 567854745 /nfs/dbraw/zinc/85/47/45/567854745.db2.gz LUGAKVLTOGJAQC-UHFFFAOYSA-N -1 3 276.361 3.772 50 0 CHAAHM CCOc1ccccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000004196753 567855989 /nfs/dbraw/zinc/85/59/89/567855989.db2.gz YEFGGTAFRZXAOF-UHFFFAOYSA-N -1 3 291.734 3.697 50 0 CHAAHM 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CHAAHM Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2F)c([O-])c1 ZINC000009337076 170372605 /nfs/dbraw/zinc/37/26/05/170372605.db2.gz JMXYSSKNGBFKKP-OLZOCXBDSA-N -1 3 285.318 3.582 50 0 CHAAHM O=C(c1nc2ccccc2[n-]1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000009913633 170390678 /nfs/dbraw/zinc/39/06/78/170390678.db2.gz XLMQVSNYCUHXNE-QWHCGFSZSA-N -1 3 280.302 3.688 50 0 CHAAHM Cn1c(=S)[n-]nc1SCc1ccc(C(C)(C)C)cc1 ZINC000000131859 567819497 /nfs/dbraw/zinc/81/94/97/567819497.db2.gz VKOWVHMYIHDYJD-UHFFFAOYSA-N -1 3 293.461 3.694 50 0 CHAAHM CC(C)c1ccc2oc(-c3ccc(N)cc3[O-])nc2c1 ZINC000000178812 567821647 /nfs/dbraw/zinc/82/16/47/567821647.db2.gz JDWSEMWLYVWBOG-UHFFFAOYSA-N -1 3 268.316 3.906 50 0 CHAAHM O=C(Nc1cc(Cl)ccc1[O-])C1CCCCC1 ZINC000000362691 567827093 /nfs/dbraw/zinc/82/70/93/567827093.db2.gz FSWGUCYZFVPAOW-UHFFFAOYSA-N -1 3 253.729 3.564 50 0 CHAAHM O=C(Nc1ccc(Cl)cc1)Nc1ccccc1[O-] ZINC000000406736 567829618 /nfs/dbraw/zinc/82/96/18/567829618.db2.gz NGDSUQAVSGJMFZ-UHFFFAOYSA-N -1 3 262.696 3.690 50 0 CHAAHM CCc1ccc(NC(=O)Nc2ccccc2[O-])cc1 ZINC000019861884 567879828 /nfs/dbraw/zinc/87/98/28/567879828.db2.gz RNMDYGUAEZHRML-UHFFFAOYSA-N -1 3 256.305 3.599 50 0 CHAAHM Cc1ccnc(Nc2nc(-c3ccc(O)cc3[O-])cs2)c1 ZINC000000315972 567926707 /nfs/dbraw/zinc/92/67/07/567926707.db2.gz RCNRKQBMFCCLRP-UHFFFAOYSA-N -1 3 299.355 3.668 50 0 CHAAHM Cc1ccc(-c2nnc([N-]C(=O)c3cccs3)o2)c(C)c1 ZINC000004479439 570222208 /nfs/dbraw/zinc/22/22/08/570222208.db2.gz ZEVZZELSXZOBHP-UHFFFAOYSA-N -1 3 299.355 3.667 50 0 CHAAHM [O-]c1ccc(CNc2ccccc2)c2cccnc12 ZINC000000809939 570378604 /nfs/dbraw/zinc/37/86/04/570378604.db2.gz KPZWEHRUSPUFCK-UHFFFAOYSA-N -1 3 250.301 3.553 50 0 aggregator CHAAHM CC(=O)c1cc(C(=O)C=Cc2ccc([O-])cc2)c(C)nc1C ZINC000039046332 570412030 /nfs/dbraw/zinc/41/20/30/570412030.db2.gz QKPVLCOZOMWWID-RMKNXTFCSA-N -1 3 295.338 3.503 50 0 CHAAHM O=C(CCc1ccccc1Cl)[N-]OCc1ccccc1 ZINC000025039031 1121471319 /nfs/dbraw/zinc/47/13/19/1121471319.db2.gz QOIVBEPTDKYKCT-UHFFFAOYSA-N -1 3 289.762 3.521 50 0 CHAAHM Cc1nc(C=Cc2ccccc2)[n-]c(=O)c1-c1ccccc1 ZINC000097400323 1129598748 /nfs/dbraw/zinc/59/87/48/1129598748.db2.gz CEENWMACEMUHQH-SEYXRHQNSA-N -1 3 288.350 3.916 50 0 CHAAHM CCc1cc(C(=O)Cc2ccc(Cl)cc2)c(O)cc1[O-] ZINC000004070554 529510354 /nfs/dbraw/zinc/51/03/54/529510354.db2.gz GGCDRUGOVAVPIT-UHFFFAOYSA-N -1 3 290.746 3.739 50 0 CHAAHM O=C(c1cc([O-])ccc1F)N1CCC2(C1)CCCCCC2 ZINC000299781219 200871692 /nfs/dbraw/zinc/87/16/92/200871692.db2.gz KQWLPLBIHYJNHW-UHFFFAOYSA-N -1 3 291.366 3.718 50 0 CHAAHM [O-]c1cc(Br)c(OCc2ccccc2)cc1F ZINC000261494475 190039713 /nfs/dbraw/zinc/03/97/13/190039713.db2.gz YKMAMBWNIYPWAQ-UHFFFAOYSA-N -1 3 297.123 3.873 50 0 CHAAHM COc1ccc(-c2n[nH]cc2Oc2ccccc2)c([O-])c1 ZINC000004756246 170013037 /nfs/dbraw/zinc/01/30/37/170013037.db2.gz UUPYUAVPEXZMMD-UHFFFAOYSA-N -1 3 282.299 3.583 50 0 biogenic CHAAHM Cc1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)c(C)c1 ZINC000006623313 170219920 /nfs/dbraw/zinc/21/99/20/170219920.db2.gz DYSBIHSVNKKNQI-UHFFFAOYSA-N -1 3 289.400 3.721 50 0 CHAAHM COc1ccc2cc(C(=O)Nc3ccccc3[O-])ccc2c1 ZINC000009390146 170376102 /nfs/dbraw/zinc/37/61/02/170376102.db2.gz IEIXCSUICBVOSO-UHFFFAOYSA-N -1 3 293.322 3.806 50 0 CHAAHM Cc1ccc2c(c1)S[C@@H](C(=O)Nc1ccc(C)cc1[O-])C2 ZINC000010123603 170398077 /nfs/dbraw/zinc/39/80/77/170398077.db2.gz MEJYZJINQXBUNI-MRXNPFEDSA-N -1 3 299.395 3.665 50 0 CHAAHM CCOC(=O)c1cnc(SCc2ccccc2Cl)[n-]1 ZINC000035606154 172292756 /nfs/dbraw/zinc/29/27/56/172292756.db2.gz IAFSAVPRKLUNCU-UHFFFAOYSA-N -1 3 296.779 3.532 50 0 CHAAHM [O-]c1coc2cc(OCc3ccc(F)cc3Cl)ccc12 ZINC000040217203 174205370 /nfs/dbraw/zinc/20/53/70/174205370.db2.gz RYEOYSHDMKJVKW-UHFFFAOYSA-N -1 3 292.693 3.633 50 0 CHAAHM O=C(Nc1ccccc1[O-])c1ccc(Cl)cc1Cl ZINC000000225737 570341850 /nfs/dbraw/zinc/34/18/50/570341850.db2.gz HGNVTWLOUXXFJN-UHFFFAOYSA-N -1 3 282.126 3.951 50 0 CHAAHM [O-]c1ccc(-c2ccc(F)c(F)c2)cc1-c1ccno1 ZINC000426485536 566989244 /nfs/dbraw/zinc/98/92/44/566989244.db2.gz BUPVZQJXPCAMMX-UHFFFAOYSA-N -1 3 273.238 3.992 50 0 CHAAHM CCOc1ccc(-c2n[nH]cc2-c2ccccc2)c([O-])c1 ZINC000013126706 567117135 /nfs/dbraw/zinc/11/71/35/567117135.db2.gz TZIHFGCOZNRIDL-UHFFFAOYSA-N -1 3 280.327 3.848 50 0 CHAAHM Cc1c([O-])ccc2c(C)c(Cc3ccccc3)c(=O)oc12 ZINC000000407192 567829569 /nfs/dbraw/zinc/82/95/69/567829569.db2.gz IGUFQLSMJINTKY-UHFFFAOYSA-N -1 3 280.323 3.706 50 0 CHAAHM Cc1oc2cc3o/c(=N/[O-])c4c(c3cc2c1C)CCC4 ZINC000013691044 567867135 /nfs/dbraw/zinc/86/71/35/567867135.db2.gz JMABIBCPUQKZGX-WUKNDPDISA-N -1 3 269.300 3.574 50 0 CHAAHM Cc1nc(N2C[C@H](C)C[C@H](C)C2)[n-]c(=O)c1CCC(C)C ZINC000017028765 567874589 /nfs/dbraw/zinc/87/45/89/567874589.db2.gz WKJXVHLLUOBVNG-BETUJISGSA-N -1 3 291.439 3.562 50 0 CHAAHM CCCCCc1c(C)nc(Nc2ccc(F)cc2)[n-]c1=O ZINC000018266670 567876837 /nfs/dbraw/zinc/87/68/37/567876837.db2.gz YSXWSWNIZLJPJW-UHFFFAOYSA-N -1 3 289.354 3.694 50 0 CHAAHM Cc1ccc(NC(=S)N[C@@H]2CCCC[C@H]2C)c([O-])c1 ZINC000010751571 567881357 /nfs/dbraw/zinc/88/13/57/567881357.db2.gz JCMZNVZQFKKSKZ-VXGBXAGGSA-N -1 3 278.421 3.566 50 0 CHAAHM [O-]c1ccc(F)cc1-c1ccc(-c2cc[nH]n2)cc1 ZINC000032551080 567886106 /nfs/dbraw/zinc/88/61/06/567886106.db2.gz SZTRTFZEOLXNFA-UHFFFAOYSA-N -1 3 254.264 3.588 50 0 CHAAHM Cc1nc(-c2ccccc2)cc(-c2ccccn2)c1[O-] ZINC000022339835 567888378 /nfs/dbraw/zinc/88/83/78/567888378.db2.gz XZMOLHAMBSLRKH-UHFFFAOYSA-N -1 3 262.312 3.825 50 0 CHAAHM O=C(Nc1ccccc1[O-])c1cccc(Cl)c1Cl ZINC000023053533 567904512 /nfs/dbraw/zinc/90/45/12/567904512.db2.gz UFGUOQRPWPZJCL-UHFFFAOYSA-N -1 3 282.126 3.951 50 0 CHAAHM CCCCc1ccc(NC(=O)c2cccc([O-])c2)cc1 ZINC000004673167 570247824 /nfs/dbraw/zinc/24/78/24/570247824.db2.gz SJGOQAQMGLBDSM-UHFFFAOYSA-N -1 3 269.344 3.987 50 0 CHAAHM FC(F)(F)c1cc(-c2cccs2)nc(=S)[n-]1 ZINC000006251593 170185827 /nfs/dbraw/zinc/18/58/27/170185827.db2.gz JOJJMOKPOZTFKX-UHFFFAOYSA-N -1 3 262.281 3.513 50 0 CHAAHM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000006328426 170191878 /nfs/dbraw/zinc/19/18/78/170191878.db2.gz IPAJNVRQWCOJLH-UHFFFAOYSA-N -1 3 299.754 3.588 50 0 CHAAHM CCCc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1 ZINC000007052649 170264381 /nfs/dbraw/zinc/26/43/81/170264381.db2.gz FMHCFWFEJTVMFD-UHFFFAOYSA-N -1 3 289.400 3.748 50 0 CHAAHM Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)c(F)c1 ZINC000007428131 170284742 /nfs/dbraw/zinc/28/47/42/170284742.db2.gz WHOZUKHQJWDQRW-UHFFFAOYSA-N -1 3 299.754 3.588 50 0 CHAAHM Cc1ccc(NC(=O)c2cccc(OC(F)F)c2)c([O-])c1 ZINC000009479146 170378391 /nfs/dbraw/zinc/37/83/91/170378391.db2.gz DPMYUFONANHLFC-UHFFFAOYSA-N -1 3 293.269 3.554 50 0 CHAAHM [O-]c1cc(O)ccc1-c1csc(NC2CCCC2)n1 ZINC000009607659 170382589 /nfs/dbraw/zinc/38/25/89/170382589.db2.gz NMFQMNREDWATIK-UHFFFAOYSA-N -1 3 276.361 3.576 50 0 CHAAHM Cc1noc([N-]C(=O)Nc2ccc(C)cc2)c1Cl ZINC000001399431 566872899 /nfs/dbraw/zinc/87/28/99/566872899.db2.gz OYWJACJKQYSVNI-UHFFFAOYSA-N -1 3 265.700 3.589 50 0 CHAAHM Cc1ccc([O-])c(C(=O)N(C)Cc2cccc(Cl)c2)c1 ZINC000012811815 566893043 /nfs/dbraw/zinc/89/30/43/566893043.db2.gz ADBQELWMPPRMBS-UHFFFAOYSA-N -1 3 289.762 3.626 50 0 CHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1 ZINC000000054444 567817074 /nfs/dbraw/zinc/81/70/74/567817074.db2.gz CJDXDKFHYLWZFO-UHFFFAOYSA-N -1 3 295.791 3.758 50 0 CHAAHM O=C(CSc1ccccc1)Nc1cc(Cl)ccc1[O-] ZINC000000468292 567831888 /nfs/dbraw/zinc/83/18/88/567831888.db2.gz ZTYHFTWFJMEQBV-UHFFFAOYSA-N -1 3 293.775 3.776 50 0 CHAAHM COc1cc(/C=C/c2ccc3cccc([O-])c3n2)ccc1O ZINC000004003886 567854582 /nfs/dbraw/zinc/85/45/82/567854582.db2.gz XXHVBSAGSCILQX-VMPITWQZSA-N -1 3 293.322 3.825 50 0 biogenic CHAAHM COc1ccc(-c2cc(-c3ccc(C)cc3)[nH]n2)c([O-])c1 ZINC000013126403 567865078 /nfs/dbraw/zinc/86/50/78/567865078.db2.gz NFMLQXFBDLNCSP-UHFFFAOYSA-N -1 3 280.327 3.766 50 0 CHAAHM O=C(Nc1ccccc1[O-])c1ccc2c(c1)CCCC2 ZINC000032855804 567869542 /nfs/dbraw/zinc/86/95/42/567869542.db2.gz QSOPGEAHWLNAMZ-UHFFFAOYSA-N -1 3 267.328 3.523 50 0 CHAAHM CC(C)Oc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000011865628 567928602 /nfs/dbraw/zinc/92/86/02/567928602.db2.gz NLWLYTJIXINFTF-UHFFFAOYSA-N -1 3 296.322 3.953 50 0 biogenic CHAAHM Cc1cc2c3c(c1)c([O-])c(-c1ccccc1)c(=O)n3CCC2 ZINC000000519579 567942228 /nfs/dbraw/zinc/94/22/28/567942228.db2.gz QRJRZVZMGWTOHP-UHFFFAOYSA-N -1 3 291.350 3.629 50 0 biogenic CHAAHM Cc1cc2c3c(c1)c(=O)c(-c1ccccc1)c([O-])n3CCC2 ZINC000000519579 567942229 /nfs/dbraw/zinc/94/22/29/567942229.db2.gz QRJRZVZMGWTOHP-UHFFFAOYSA-N -1 3 291.350 3.629 50 0 biogenic CHAAHM O=c1cc(-c2ccccc2)nc(Nc2ccc(Cl)cc2)[n-]1 ZINC000036077490 570233377 /nfs/dbraw/zinc/23/33/77/570233377.db2.gz JVAZCDWVZTUYGV-UHFFFAOYSA-N -1 3 297.745 3.834 50 0 CHAAHM CC[C@H](C)N(Cc1ccsc1)Cc1nc(C)ccc1[O-] ZINC000055089814 570240563 /nfs/dbraw/zinc/24/05/63/570240563.db2.gz QLHNNFLAXNHTBU-ZDUSSCGKSA-N -1 3 290.432 3.958 50 0 CHAAHM O=c1nc(-c2ccoc2)[n-]c2scc(-c3ccco3)c21 ZINC000089797956 1127919439 /nfs/dbraw/zinc/91/94/39/1127919439.db2.gz ZTPXQPFWFDJQAB-UHFFFAOYSA-N -1 3 284.296 3.505 50 0 CHAAHM CCN(CCC1CC1)C(=O)c1ccc(C(C)C)cc1[O-] ZINC000095940634 185035622 /nfs/dbraw/zinc/03/56/22/185035622.db2.gz RNNUOUWTSPTXRC-UHFFFAOYSA-N -1 3 275.392 3.778 50 0 CHAAHM Cc1cc([N-]C(=O)c2cc(Cl)sc2Cl)no1 ZINC000000141065 169551726 /nfs/dbraw/zinc/55/17/26/169551726.db2.gz ZLJRRZXGSJTXNL-UHFFFAOYSA-N -1 3 277.132 3.604 50 0 CHAAHM O=c1c([O-])c(-c2ccccc2Cl)oc2ccccc12 ZINC000004749958 170011437 /nfs/dbraw/zinc/01/14/37/170011437.db2.gz JDEURDYJJIGSJA-UHFFFAOYSA-N -1 3 272.687 3.819 50 0 CHAAHM [O-]c1ccccc1-c1nc(/C=C/c2ccccc2)no1 ZINC000004828610 170024990 /nfs/dbraw/zinc/02/49/90/170024990.db2.gz NIDAQOVXERMPRS-ZHACJKMWSA-N -1 3 264.284 3.613 50 0 CHAAHM CCCCO[N-]C(=O)Nc1cccc2ccccc21 ZINC000005466067 170101951 /nfs/dbraw/zinc/10/19/51/170101951.db2.gz DMDVSMQPCMWRNN-UHFFFAOYSA-N -1 3 258.321 3.693 50 0 CHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c(C)c1 ZINC000006315777 170190828 /nfs/dbraw/zinc/19/08/28/170190828.db2.gz KKRSTEBHCLAACE-UHFFFAOYSA-N -1 3 289.400 3.721 50 0 CHAAHM O=C(NC1CCCCCC1)c1c[n-]nc1-c1cccs1 ZINC000072329437 176370287 /nfs/dbraw/zinc/37/02/87/176370287.db2.gz QWICAHRMFHOLIX-UHFFFAOYSA-N -1 3 289.404 3.591 50 0 CHAAHM FC(F)(F)c1[n-]nc(-c2ccccc2)c1Br ZINC000004242113 567856027 /nfs/dbraw/zinc/85/60/27/567856027.db2.gz OBKUMDOWKMRFPB-UHFFFAOYSA-N -1 3 291.070 3.858 50 0 CHAAHM Cc1cc([O-])c(C(=O)Cc2ccccc2)cc1Cl ZINC000001081528 567835919 /nfs/dbraw/zinc/83/59/19/567835919.db2.gz GUOVVAMSUAANAZ-UHFFFAOYSA-N -1 3 260.720 3.779 50 0 CHAAHM O=C(Nc1ccccc1[O-])c1ccc(Cl)c(Cl)c1 ZINC000001740948 566959149 /nfs/dbraw/zinc/95/91/49/566959149.db2.gz KDKKARRCQSQIHZ-UHFFFAOYSA-N -1 3 282.126 3.951 50 0 CHAAHM C[P@@](=O)(N=C([O-])Nc1ccccc1)Oc1ccccc1 ZINC000003219168 567165891 /nfs/dbraw/zinc/16/58/91/567165891.db2.gz LGQPPEWZJQBPIH-FQEVSTJZSA-N -1 3 290.259 3.710 50 0 CHAAHM C[P@@](=O)([N-]C(=O)Nc1ccccc1)Oc1ccccc1 ZINC000003219168 567165895 /nfs/dbraw/zinc/16/58/95/567165895.db2.gz LGQPPEWZJQBPIH-FQEVSTJZSA-N -1 3 290.259 3.710 50 0 CHAAHM [O-]c1ccc(Br)cc1C1SCCS1 ZINC000000165998 567821146 /nfs/dbraw/zinc/82/11/46/567821146.db2.gz DFSLMGQWCGFHRF-UHFFFAOYSA-N -1 3 277.208 3.633 50 0 CHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1Cl ZINC000000300433 567824555 /nfs/dbraw/zinc/82/45/55/567824555.db2.gz LOYVAZPTYHMLJC-UHFFFAOYSA-N -1 3 299.754 3.588 50 0 CHAAHM CSc1ccccc1[N-]C(=O)c1cc(CC(C)C)on1 ZINC000003909118 567854667 /nfs/dbraw/zinc/85/46/67/567854667.db2.gz SHQQIBNGLRBJNE-UHFFFAOYSA-N -1 3 290.388 3.847 50 0 aggregator CHAAHM CC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000013126928 567865280 /nfs/dbraw/zinc/86/52/80/567865280.db2.gz LEZRECMJLAVILH-UHFFFAOYSA-N -1 3 284.340 3.627 50 0 CHAAHM Cc1ccc(NC(=S)N[C@@H]2CCCC[C@@H]2C)c([O-])c1 ZINC000010751561 567881173 /nfs/dbraw/zinc/88/11/73/567881173.db2.gz JCMZNVZQFKKSKZ-NWDGAFQWSA-N -1 3 278.421 3.566 50 0 CHAAHM Cc1ccccc1[N-]S(=O)(=O)c1cc(C)c(C)cc1C ZINC000028463438 567883390 /nfs/dbraw/zinc/88/33/90/567883390.db2.gz MWQNTVZUWFMMGP-UHFFFAOYSA-N -1 3 289.400 3.721 50 0 CHAAHM O=C([N-]c1nc(-c2cccs2)ns1)c1cccs1 ZINC000011914486 567928766 /nfs/dbraw/zinc/92/87/66/567928766.db2.gz ZLFVZDYFOXQQRE-UHFFFAOYSA-N -1 3 293.398 3.580 50 0 CHAAHM Cc1ccc(C(=O)Nc2ccc(OC(F)F)cc2)c([O-])c1 ZINC000026981868 570313747 /nfs/dbraw/zinc/31/37/47/570313747.db2.gz ARPYRAVHJDSZCT-UHFFFAOYSA-N -1 3 293.269 3.554 50 0 CHAAHM CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccccc1[O-] ZINC000012851309 570341289 /nfs/dbraw/zinc/34/12/89/570341289.db2.gz CUUKNNUUJXKGSN-CYBMUJFWSA-N -1 3 299.370 3.923 50 0 CHAAHM Cc1nc(-c2cccs2)sc1-c1ccc(=S)[n-]n1 ZINC000070635267 570404358 /nfs/dbraw/zinc/40/43/58/570404358.db2.gz XRFAQLACDRBDIF-UHFFFAOYSA-N -1 3 291.426 3.926 50 0 CHAAHM O=c1ccnc(C=Cc2ccc(SC(F)(F)F)cc2)[n-]1 ZINC000098056032 1129643085 /nfs/dbraw/zinc/64/30/85/1129643085.db2.gz KNNMKLJKSJLVKF-UTCJRWHESA-N -1 3 298.289 3.552 50 0 CHAAHM S=C1CC(c2ccccc2)=Nc2ccccc2[N-]1 ZINC000005336371 170087073 /nfs/dbraw/zinc/08/70/73/170087073.db2.gz FXJFEZPRBYYKHS-UHFFFAOYSA-N -1 3 252.342 3.950 50 0 CHAAHM S=c1[n-]c(Cc2ccccc2)nc2ccccc21 ZINC000006534160 170211354 /nfs/dbraw/zinc/21/13/54/170211354.db2.gz UYYOSQDRLIXLIH-UHFFFAOYSA-N -1 3 252.342 3.883 50 0 CHAAHM CCc1nonc1[N-]C(=O)c1oc2ccc(CC)cc2c1C ZINC000006743422 170238560 /nfs/dbraw/zinc/23/85/60/170238560.db2.gz NBDVMWUSVYGDPY-UHFFFAOYSA-N -1 3 299.330 3.501 50 0 CHAAHM CCCc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000007052924 170264497 /nfs/dbraw/zinc/26/44/97/170264497.db2.gz ODFMHYBURPUSJL-UHFFFAOYSA-N -1 3 289.400 3.748 50 0 CHAAHM COc1ccc([C@@H]2C[C@H]2C(=O)c2nc3ccccc3[n-]2)cc1 ZINC000009913686 170390628 /nfs/dbraw/zinc/39/06/28/170390628.db2.gz WWSLKYBYLDZCGQ-UONOGXRCSA-N -1 3 292.338 3.558 50 0 CHAAHM Cc1coc2c1c(C)cc1o/c(=N/[O-])c3c(c21)CCC3 ZINC000013691108 170579399 /nfs/dbraw/zinc/57/93/99/170579399.db2.gz NVTWOLKXBPCCLU-WUKNDPDISA-N -1 3 269.300 3.574 50 0 CHAAHM CCc1nnc([N-]C(=O)c2occc2-c2ccccc2)s1 ZINC000021289709 171300715 /nfs/dbraw/zinc/30/07/15/171300715.db2.gz DRMIYDCKSWLRTK-UHFFFAOYSA-N -1 3 299.355 3.613 50 0 CHAAHM Cc1ccc(NC(=O)c2ccc3ncsc3c2)c([O-])c1 ZINC000003336310 566848278 /nfs/dbraw/zinc/84/82/78/566848278.db2.gz ACEXXAPJZXNXTN-UHFFFAOYSA-N -1 3 284.340 3.563 50 0 CHAAHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2C)c1 ZINC000003420171 566849870 /nfs/dbraw/zinc/84/98/70/566849870.db2.gz WEYCLDTYPAPAIM-UHFFFAOYSA-N -1 3 293.363 3.552 50 0 CHAAHM CCCc1nc(-c2cc(OC(F)(F)F)ccc2[O-])c[nH]1 ZINC000426627799 566992142 /nfs/dbraw/zinc/99/21/42/566992142.db2.gz NJSRQHHAJRFYQF-UHFFFAOYSA-N -1 3 286.253 3.633 50 0 CHAAHM CCOc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000000043094 567816904 /nfs/dbraw/zinc/81/69/04/567816904.db2.gz IIBZPBNMVWOFEQ-UHFFFAOYSA-N -1 3 282.295 3.564 50 0 biogenic CHAAHM [O-]C(=C[C@](O)(c1ccccc1)C(F)(F)F)c1ccccc1 ZINC000000185352 567821832 /nfs/dbraw/zinc/82/18/32/567821832.db2.gz KHKLTJUWNXJNST-HNNXBMFYSA-N -1 3 294.272 3.710 50 0 CHAAHM O=C(CCc1ccccc1)Nc1cc(Cl)ccc1[O-] ZINC000000354395 567826293 /nfs/dbraw/zinc/82/62/93/567826293.db2.gz AJSKEIYPIXTFDQ-UHFFFAOYSA-N -1 3 275.735 3.617 50 0 CHAAHM CCCCCCc1nnc([N-]C(=O)c2ccco2)s1 ZINC000002896910 567850135 /nfs/dbraw/zinc/85/01/35/567850135.db2.gz PMDROYQTVCQGFK-UHFFFAOYSA-N -1 3 279.365 3.506 50 0 CHAAHM O=Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1[O-] ZINC000004343506 567856886 /nfs/dbraw/zinc/85/68/86/567856886.db2.gz IFOABTLXHWKNIJ-UHFFFAOYSA-N -1 3 256.345 3.673 50 0 CHAAHM COc1ccc2c(c1)[n-]c(=S)cc2-c1cccnc1 ZINC000012504826 567863650 /nfs/dbraw/zinc/86/36/50/567863650.db2.gz QSAGBKVIOLUOMR-UHFFFAOYSA-N -1 3 268.341 3.968 50 0 CHAAHM CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccccc2[O-])C1(C)C ZINC000032895962 567870627 /nfs/dbraw/zinc/87/06/27/567870627.db2.gz SZLXBXCNHZAWNQ-BXUZGUMPSA-N -1 3 259.349 3.569 50 0 CHAAHM CC(C)=C[C@H]1[C@H](C(=O)Nc2ccccc2[O-])C1(C)C ZINC000032895963 567870697 /nfs/dbraw/zinc/87/06/97/567870697.db2.gz SZLXBXCNHZAWNQ-SMDDNHRTSA-N -1 3 259.349 3.569 50 0 CHAAHM COc1ccc(-c2nc3ccccc3n2C)c(Cl)c1[O-] ZINC000063868106 567897721 /nfs/dbraw/zinc/89/77/21/567897721.db2.gz KTVSLWQSDZRXNS-UHFFFAOYSA-N -1 3 288.734 3.608 50 0 CHAAHM Cc1ccc([O-])c(C(=O)Nc2cnc3ccccc3c2)c1 ZINC000012744699 1123168497 /nfs/dbraw/zinc/16/84/97/1123168497.db2.gz PCNSUKWFWFLYSU-UHFFFAOYSA-N -1 3 278.311 3.501 50 0 CHAAHM O=C(Nc1ccc(Cl)cc1)C(=S)[N-]C1CCCCC1 ZINC000004808519 170020681 /nfs/dbraw/zinc/02/06/81/170020681.db2.gz CYRXDVULDKAGGD-UHFFFAOYSA-N -1 3 296.823 3.528 50 0 CHAAHM CSCc1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000006566825 170214232 /nfs/dbraw/zinc/21/42/32/170214232.db2.gz UUZYRMCHULFJED-UHFFFAOYSA-N -1 3 294.426 3.576 50 0 CHAAHM CC(C)(C)c1ccc(C(=O)Nc2ccc(N)cc2[O-])cc1 ZINC000006701569 170229453 /nfs/dbraw/zinc/22/94/53/170229453.db2.gz WSLVIMPUVVAKJQ-UHFFFAOYSA-N -1 3 284.359 3.524 50 0 CHAAHM CSc1nc(=S)c2sc3c(c2[n-]1)COC(C)(C)C3 ZINC000006754876 170240675 /nfs/dbraw/zinc/24/06/75/170240675.db2.gz HSTXGERGTMGSBU-UHFFFAOYSA-N -1 3 298.458 3.553 50 0 CHAAHM O=C(Nc1ccccc1[O-])c1ccc(C(F)(F)F)cc1 ZINC000009478279 170377901 /nfs/dbraw/zinc/37/79/01/170377901.db2.gz XRHNIJFVXFACKW-UHFFFAOYSA-N -1 3 281.233 3.663 50 0 CHAAHM O=C(c1nc2ccccc2[n-]1)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000009913638 170390785 /nfs/dbraw/zinc/39/07/85/170390785.db2.gz XLMQVSNYCUHXNE-STQMWFEESA-N -1 3 280.302 3.688 50 0 CHAAHM COCOc1ccc(/C=C/c2ccc([O-])cc2)cc1 ZINC000019909422 567088716 /nfs/dbraw/zinc/08/87/16/567088716.db2.gz OZFQRKYRFOKWNJ-NSCUHMNNSA-N -1 3 256.301 3.545 50 0 CHAAHM CCSc1nnc([N-]c2ccccc2F)s1 ZINC000003377020 567172727 /nfs/dbraw/zinc/17/27/27/567172727.db2.gz AMDGYTBZEJVWMZ-UHFFFAOYSA-N -1 3 255.343 3.533 50 0 CHAAHM CCc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1 ZINC000000134857 567819571 /nfs/dbraw/zinc/81/95/71/567819571.db2.gz LVJVHQWAALLYPH-UHFFFAOYSA-N -1 3 289.400 3.667 50 0 CHAAHM O=C(Nc1cccc(C(F)(F)F)c1)c1ccc([O-])cc1 ZINC000000148031 567820450 /nfs/dbraw/zinc/82/04/50/567820450.db2.gz VABHVSYCGJYIOA-UHFFFAOYSA-N -1 3 281.233 3.663 50 0 CHAAHM [O-]C(=C[C@@](O)(c1ccccc1)C(F)(F)F)c1ccccc1 ZINC000000235082 567822452 /nfs/dbraw/zinc/82/24/52/567822452.db2.gz KHKLTJUWNXJNST-OAHLLOKOSA-N -1 3 294.272 3.710 50 0 CHAAHM COc1ccc(C(=O)c2c(C)oc3ccc([O-])cc32)cc1 ZINC000000446107 567830699 /nfs/dbraw/zinc/83/06/99/567830699.db2.gz KMKUROJUXGMWGH-UHFFFAOYSA-N -1 3 282.295 3.686 50 0 CHAAHM COc1cc(/C=C/c2ccc([O-])cc2)cc(OC)c1 ZINC000000899213 567834966 /nfs/dbraw/zinc/83/49/66/567834966.db2.gz VLEUZFDZJKSGMX-ONEGZZNKSA-N -1 3 256.301 3.580 50 0 biogenic,investigational CHAAHM Fc1ccccc1-c1noc(-c2cc(-c3ccco3)n[n-]2)n1 ZINC000012415131 567863004 /nfs/dbraw/zinc/86/30/04/567863004.db2.gz MEPSLKKTFTWLTH-UHFFFAOYSA-N -1 3 296.261 3.526 50 0 CHAAHM Fc1ccccc1-c1noc(-c2cc(-c3ccco3)[n-]n2)n1 ZINC000012415131 567863006 /nfs/dbraw/zinc/86/30/06/567863006.db2.gz MEPSLKKTFTWLTH-UHFFFAOYSA-N -1 3 296.261 3.526 50 0 CHAAHM CCc1cc(C(=O)Nc2ccccc2[O-])sc1C ZINC000014183959 567868294 /nfs/dbraw/zinc/86/82/94/567868294.db2.gz URBLGHBCRABVND-UHFFFAOYSA-N -1 3 261.346 3.577 50 0 CHAAHM O=c1cc(CSc2ccccc2)nc(-c2ccccc2)[n-]1 ZINC000015986901 567872000 /nfs/dbraw/zinc/87/20/00/567872000.db2.gz SRNHSNKVWUNTHL-UHFFFAOYSA-N -1 3 294.379 3.729 50 0 CHAAHM CC(C)c1cc(=O)[n-]c(Nc2cc(Cl)cc(Cl)c2)n1 ZINC000019941893 567880001 /nfs/dbraw/zinc/88/00/01/567880001.db2.gz XLWBZEVXKZSQOI-UHFFFAOYSA-N -1 3 298.173 3.944 50 0 CHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C2CC2)cc1 ZINC000004594737 567892376 /nfs/dbraw/zinc/89/23/76/567892376.db2.gz OWIXXUIBZRHGLI-UHFFFAOYSA-N -1 3 287.384 3.673 50 0 CHAAHM O=C1Nc2cc(Cl)ccc2/C1=C/c1cccc([O-])c1 ZINC000013591822 567892902 /nfs/dbraw/zinc/89/29/02/567892902.db2.gz OFAYMVYHZLLXRW-QPEQYQDCSA-N -1 3 271.703 3.538 50 0 CHAAHM O=C(Nc1cccc2c1CCCC2)c1cccc([O-])c1 ZINC000019838314 567944779 /nfs/dbraw/zinc/94/47/79/567944779.db2.gz RDTSIDDPBLKMSY-UHFFFAOYSA-N -1 3 267.328 3.523 50 0 CHAAHM Cc1ccc(NC(=O)c2cc(C)cc(C)c2)c([O-])c1 ZINC000014020154 570286181 /nfs/dbraw/zinc/28/61/81/570286181.db2.gz OGJCHJDBCDFHSP-UHFFFAOYSA-N -1 3 255.317 3.570 50 0 CHAAHM Cc1cc(Br)c([O-])c(C(=O)C(C)(C)C)c1 ZINC000052068557 1118447674 /nfs/dbraw/zinc/44/76/74/1118447674.db2.gz RFLOTMMSBGBSSB-UHFFFAOYSA-N -1 3 271.154 3.692 50 0 CHAAHM CCN(CC)c1ccc(C=[NH+][N-]c2ccccc2C)c([O-])c1 ZINC000254522484 1129700130 /nfs/dbraw/zinc/70/01/30/1129700130.db2.gz HEZLDSRMRPJFHV-UHFFFAOYSA-N -1 3 297.402 3.993 50 0 CHAAHM Cc1ccc(NC(=O)Cc2c(F)cccc2Cl)c([O-])c1 ZINC000005066036 170063153 /nfs/dbraw/zinc/06/31/53/170063153.db2.gz QKYMDISWMJUZNQ-UHFFFAOYSA-N -1 3 293.725 3.674 50 0 CHAAHM CCc1nc2c(c(=O)[n-]1)C1(CCCCC1)Cc1ccccc1-2 ZINC000005072892 170064238 /nfs/dbraw/zinc/06/42/38/170064238.db2.gz UMZZVTSJEDQXIC-UHFFFAOYSA-N -1 3 294.398 3.757 50 0 biogenic CHAAHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000005259937 170080701 /nfs/dbraw/zinc/08/07/01/170080701.db2.gz WEISXKANIPXKMG-UHFFFAOYSA-N -1 3 275.373 3.611 50 0 CHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)cc1 ZINC000005516172 170107177 /nfs/dbraw/zinc/10/71/77/170107177.db2.gz XPUOGIJHXLUSOJ-UHFFFAOYSA-N -1 3 289.400 3.919 50 0 CHAAHM CCCc1cc(=S)n2[n-]c(C)c(-c3ccccc3)c2n1 ZINC000005965904 170163262 /nfs/dbraw/zinc/16/32/62/170163262.db2.gz MNUXEBLIVCMOAN-UHFFFAOYSA-N -1 3 283.400 3.946 50 0 CHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C)cc1C ZINC000006726302 170233435 /nfs/dbraw/zinc/23/34/35/170233435.db2.gz CCPGBVBZDGITNM-UHFFFAOYSA-N -1 3 293.363 3.552 50 0 CHAAHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000007052918 170264563 /nfs/dbraw/zinc/26/45/63/170264563.db2.gz MSNJLZIGTLEMFZ-UHFFFAOYSA-N -1 3 289.400 3.919 50 0 CHAAHM O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccccc1[O-] ZINC000009478203 170377968 /nfs/dbraw/zinc/37/79/68/170377968.db2.gz XIEHMUHESIXOIA-UHFFFAOYSA-N -1 3 295.260 3.592 50 0 CHAAHM Cc1ccc(NC(=O)CCc2c[nH]c3ccccc23)c([O-])c1 ZINC000009502593 170379404 /nfs/dbraw/zinc/37/94/04/170379404.db2.gz LDNKOEPDVHQOFV-UHFFFAOYSA-N -1 3 294.354 3.753 50 0 CHAAHM S=c1[n-]cc(-c2cccc(Br)c2)o1 ZINC000040478753 174283256 /nfs/dbraw/zinc/28/32/56/174283256.db2.gz ULOBZDUUFLQZFQ-UHFFFAOYSA-N -1 3 256.124 3.767 50 0 CHAAHM CSc1ccccc1[N-]C(=O)c1c(F)cccc1F ZINC000000442719 567830414 /nfs/dbraw/zinc/83/04/14/567830414.db2.gz UPQCGAJYHNDWNI-UHFFFAOYSA-N -1 3 279.311 3.939 50 0 CHAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2F)c(C)c1 ZINC000000029441 567816388 /nfs/dbraw/zinc/81/63/88/567816388.db2.gz CRDOUDVYCYWRHC-UHFFFAOYSA-N -1 3 293.363 3.552 50 0 CHAAHM Cc1ccc(C(=O)c2coc3ccc([O-])cc23)cc1 ZINC000000285567 567824007 /nfs/dbraw/zinc/82/40/07/567824007.db2.gz PZBCCJPEYGBHGM-UHFFFAOYSA-N -1 3 252.269 3.678 50 0 CHAAHM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000000608854 567834172 /nfs/dbraw/zinc/83/41/72/567834172.db2.gz DGGSUNSJCPMYRX-UHFFFAOYSA-N -1 3 289.400 3.721 50 0 CHAAHM CC(C)CCNCc1ccc(-c2cccc(C(=O)[O-])c2)o1 ZINC000012382218 567863051 /nfs/dbraw/zinc/86/30/51/567863051.db2.gz MHJVDKCGHOIGEC-UHFFFAOYSA-N -1 3 287.359 3.781 50 0 CHAAHM Cc1ccc(C(=O)c2cnc3ccc(F)cc3c2[O-])cc1C ZINC000000248769 567925664 /nfs/dbraw/zinc/92/56/64/567925664.db2.gz JITAVGPABYPNCK-UHFFFAOYSA-N -1 3 295.313 3.927 50 0 CHAAHM Cc1ccc([O-])c(CN[C@@H](C)c2ccc3c(c2)CCCC3)n1 ZINC000103341100 567942839 /nfs/dbraw/zinc/94/28/39/567942839.db2.gz GPMFGOGUAMIBKO-AWEZNQCLSA-N -1 3 296.414 3.825 50 0 CHAAHM [O-]c1ccccc1-c1nc2scc(-c3ccccc3)n2n1 ZINC000026687905 570232684 /nfs/dbraw/zinc/23/26/84/570232684.db2.gz LLWVAORLZNLIRV-UHFFFAOYSA-N -1 3 293.351 3.830 50 0 CHAAHM CC(=O)Nc1cc(C)c([O-])c(-c2nc3cc(C)ccc3o2)c1 ZINC000004736804 170007768 /nfs/dbraw/zinc/00/77/68/170007768.db2.gz FMBWRLBLHVWOQW-UHFFFAOYSA-N -1 3 296.326 3.776 50 0 CHAAHM CC(=O)c1cc2c3c(cccc3C(=O)c3ccccc3-2)c1[O-] ZINC000006292986 170188976 /nfs/dbraw/zinc/18/89/76/170188976.db2.gz USRLSCDPALRBRC-UHFFFAOYSA-N -1 3 288.302 3.959 50 0 biogenic CHAAHM O=C(c1c[nH]nc1-c1ccccc1[O-])c1ccc(Cl)cc1 ZINC000008580180 170341819 /nfs/dbraw/zinc/34/18/19/170341819.db2.gz NZRJFJCUWFVBJJ-UHFFFAOYSA-N -1 3 298.729 3.667 50 0 CHAAHM CC(C)c1cc(=O)[n-]c(Nc2cccc(C(F)(F)F)c2)n1 ZINC000019941895 170934559 /nfs/dbraw/zinc/93/45/59/170934559.db2.gz WIEIZYLANQSMMC-UHFFFAOYSA-N -1 3 297.280 3.656 50 0 CHAAHM CC(C)CCNc1nc(-c2ccc(O)cc2[O-])cs1 ZINC000022459597 171388282 /nfs/dbraw/zinc/38/82/82/171388282.db2.gz WHSHQSRPHFAOKD-UHFFFAOYSA-N -1 3 278.377 3.679 50 0 CHAAHM C[C@H]1C[C@H]1c1ccc(CCC(=O)[N-]OCc2ccccc2)o1 ZINC000040012766 174182745 /nfs/dbraw/zinc/18/27/45/174182745.db2.gz MITGEGVKAGHMIW-XJKSGUPXSA-N -1 3 299.370 3.584 50 0 CHAAHM COc1ccc(-c2noc([N-]c3ccc(C)cc3)n2)cc1 ZINC000071928070 176302227 /nfs/dbraw/zinc/30/22/27/176302227.db2.gz RVCWOQUBZOCJJL-UHFFFAOYSA-N -1 3 281.315 3.797 50 0 CHAAHM O=C([N-]c1nc2c(ccc3ccccc23)s1)c1ccno1 ZINC000010253789 329093373 /nfs/dbraw/zinc/09/33/73/329093373.db2.gz CELAQARCZXDOID-UHFFFAOYSA-N -1 3 295.323 3.690 50 0 CHAAHM COc1ccc(C(=O)c2coc3ccc([O-])cc32)c(F)c1 ZINC000575440937 329120063 /nfs/dbraw/zinc/12/00/63/329120063.db2.gz LDENJQRQBVESKE-UHFFFAOYSA-N -1 3 286.258 3.517 50 0 CHAAHM CC(C)=CCc1c2ccoc2c([O-])c2oc(=O)ccc12 ZINC000000898013 566830166 /nfs/dbraw/zinc/83/01/66/566830166.db2.gz KDXVVZMYSLWJMA-UHFFFAOYSA-N -1 3 270.284 3.754 50 0 biogenic,in-vitro CHAAHM CCCCc1c(C)nc(-c2ccc(Cl)cc2)[n-]c1=O ZINC000013468355 566954407 /nfs/dbraw/zinc/95/44/07/566954407.db2.gz KXJUVLVQDVGGTI-UHFFFAOYSA-N -1 3 276.767 3.741 50 0 CHAAHM [O-]C(=NOCc1ccc(F)cc1)Nc1ccccc1Cl ZINC000170594785 567012839 /nfs/dbraw/zinc/01/28/39/567012839.db2.gz UDIKDQHMKXJQSB-UHFFFAOYSA-N -1 3 294.713 3.732 50 0 CHAAHM O=C([N-]OCc1ccc(F)cc1)Nc1ccccc1Cl ZINC000170594785 567012844 /nfs/dbraw/zinc/01/28/44/567012844.db2.gz UDIKDQHMKXJQSB-UHFFFAOYSA-N -1 3 294.713 3.732 50 0 CHAAHM C[P@](=O)(N=C([O-])Nc1ccccc1)Oc1ccccc1 ZINC000003219169 567166002 /nfs/dbraw/zinc/16/60/02/567166002.db2.gz LGQPPEWZJQBPIH-HXUWFJFHSA-N -1 3 290.259 3.710 50 0 CHAAHM C[P@](=O)([N-]C(=O)Nc1ccccc1)Oc1ccccc1 ZINC000003219169 567166006 /nfs/dbraw/zinc/16/60/06/567166006.db2.gz LGQPPEWZJQBPIH-HXUWFJFHSA-N -1 3 290.259 3.710 50 0 CHAAHM CCN(CC)c1ccc(NC(=O)c2ccc(C)cc2[O-])cc1 ZINC000031277197 567180535 /nfs/dbraw/zinc/18/05/35/567180535.db2.gz PYKADAHWNZRRRZ-UHFFFAOYSA-N -1 3 298.386 3.799 50 0 CHAAHM Cc1ccc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000000405893 567829661 /nfs/dbraw/zinc/82/96/61/567829661.db2.gz FRAXBCRCAPONMB-UHFFFAOYSA-N -1 3 289.400 3.721 50 0 CHAAHM Cc1oc2ccc([O-])cc2c1C(=O)c1ccc(F)cc1 ZINC000000444805 567830685 /nfs/dbraw/zinc/83/06/85/567830685.db2.gz XUTCUWQKSOYFLD-UHFFFAOYSA-N -1 3 270.259 3.817 50 0 CHAAHM O=Cc1ccc(OCc2cccc(C(F)(F)F)c2)cc1[O-] ZINC000001402148 567837375 /nfs/dbraw/zinc/83/73/75/567837375.db2.gz CBEWQUISRFLKSU-UHFFFAOYSA-N -1 3 296.244 3.803 50 0 CHAAHM Cc1occc1C(=O)[N-]c1c(F)c(F)c(F)c(F)c1F ZINC000002766859 567849122 /nfs/dbraw/zinc/84/91/22/567849122.db2.gz XCBYXSKHHFELCN-UHFFFAOYSA-N -1 3 291.175 3.536 50 0 CHAAHM Cc1c(O)ccc(-c2n[nH]cc2Oc2ccccc2)c1[O-] ZINC000004567539 567858172 /nfs/dbraw/zinc/85/81/72/567858172.db2.gz ASXNGCHMCQVMQH-UHFFFAOYSA-N -1 3 282.299 3.589 50 0 CHAAHM O=c1c([O-])c(-c2ccc(F)cc2)oc2cc(Cl)ccc12 ZINC000001461292 567930951 /nfs/dbraw/zinc/93/09/51/567930951.db2.gz LUKGIYFYRBSJDU-UHFFFAOYSA-N -1 3 290.677 3.958 50 0 biogenic,in-vitro CHAAHM [O-]c1ccccc1-c1nc(/C=C/c2cccs2)no1 ZINC000004813708 170021854 /nfs/dbraw/zinc/02/18/54/170021854.db2.gz PPUDAOBFQKEVMG-BQYQJAHWSA-N -1 3 270.313 3.674 50 0 CHAAHM Cc1ccc(C)c(-c2nnc([N-]C(=O)c3cccs3)o2)c1 ZINC000005169645 170073351 /nfs/dbraw/zinc/07/33/51/170073351.db2.gz ZGXCIJVHUYWZNZ-UHFFFAOYSA-N -1 3 299.355 3.667 50 0 CHAAHM [O-]C(=NOCc1ccccc1)Nc1cccc(Cl)c1 ZINC000005683253 170128444 /nfs/dbraw/zinc/12/84/44/170128444.db2.gz AHJIOHLNTQVDLT-UHFFFAOYSA-N -1 3 276.723 3.593 50 0 CHAAHM O=C([N-]OCc1ccccc1)Nc1cccc(Cl)c1 ZINC000005683253 170128445 /nfs/dbraw/zinc/12/84/45/170128445.db2.gz AHJIOHLNTQVDLT-UHFFFAOYSA-N -1 3 276.723 3.593 50 0 CHAAHM Cc1ccc(NC(=O)Cc2ccccc2Cl)c([O-])c1 ZINC000006454208 170202608 /nfs/dbraw/zinc/20/26/08/170202608.db2.gz NXGQELGPJDQRHA-UHFFFAOYSA-N -1 3 275.735 3.535 50 0 CHAAHM CCc1cc(-c2n[nH]cc2Oc2ccccc2)c([O-])cc1O ZINC000006493553 170206782 /nfs/dbraw/zinc/20/67/82/170206782.db2.gz CNJFYVMPHWHMIT-UHFFFAOYSA-N -1 3 296.326 3.843 50 0 CHAAHM CC1(C)Cc2c(sc3[n-]c(=S)nc(N)c23)CS1 ZINC000006782497 170243200 /nfs/dbraw/zinc/24/32/00/170243200.db2.gz YJKVRTZKTSDJJP-UHFFFAOYSA-N -1 3 283.447 3.504 50 0 CHAAHM Cc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c(C)c1 ZINC000007056369 170265038 /nfs/dbraw/zinc/26/50/38/170265038.db2.gz DUCBXIJTGKALSN-UHFFFAOYSA-N -1 3 289.400 3.721 50 0 CHAAHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000007401946 170282794 /nfs/dbraw/zinc/28/27/94/170282794.db2.gz OIAKWQDKGGGVTJ-UHFFFAOYSA-N -1 3 293.363 3.579 50 0 CHAAHM Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2)c(Cl)c1 ZINC000007403942 170282971 /nfs/dbraw/zinc/28/29/71/170282971.db2.gz BHSKJNHAKBDRQD-UHFFFAOYSA-N -1 3 299.754 3.588 50 0 CHAAHM O=c1cc(-c2ccccc2)nc(NC2CCCCCC2)[n-]1 ZINC000008844083 170356940 /nfs/dbraw/zinc/35/69/40/170356940.db2.gz LJGZXPXBWQSQBH-UHFFFAOYSA-N -1 3 283.375 3.572 50 0 CHAAHM CC(C)Sc1nnc([N-]c2ccccc2F)s1 ZINC000008852251 170357266 /nfs/dbraw/zinc/35/72/66/170357266.db2.gz ILUGRZBEKPJCBQ-UHFFFAOYSA-N -1 3 269.370 3.921 50 0 CHAAHM [O-]c1ccc(F)cc1-c1cc(-c2ccccc2F)[nH]n1 ZINC000009088688 170363051 /nfs/dbraw/zinc/36/30/51/170363051.db2.gz LGKKOBPNLMCSTE-UHFFFAOYSA-N -1 3 272.254 3.728 50 0 CHAAHM C[C@H]1C[C@@H]1c1ccc(CCC(=O)[N-]OCc2ccccc2)o1 ZINC000040012764 174182286 /nfs/dbraw/zinc/18/22/86/174182286.db2.gz MITGEGVKAGHMIW-BBRMVZONSA-N -1 3 299.370 3.584 50 0 CHAAHM CCCCOc1ccc(C)cc1-c1cc(=O)[n-]c(C)n1 ZINC000426399408 528668309 /nfs/dbraw/zinc/66/83/09/528668309.db2.gz MCNGFNKATODYKW-UHFFFAOYSA-N -1 3 272.348 3.645 50 0 CHAAHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000025472890 566837192 /nfs/dbraw/zinc/83/71/92/566837192.db2.gz RMRYXMXCKUHRMR-UHFFFAOYSA-N -1 3 293.363 3.552 50 0 CHAAHM CCc1ccc([O-])c(C(=O)N2CCC[C@]3(CC=CCC3)C2)c1 ZINC000170626939 567015594 /nfs/dbraw/zinc/01/55/94/567015594.db2.gz QRCADADDRCHIJN-LJQANCHMSA-N -1 3 299.414 3.917 50 0 CHAAHM [O-]c1ccc(Br)cc1-c1nc2ccccc2[nH]1 ZINC000013230282 567865696 /nfs/dbraw/zinc/86/56/96/567865696.db2.gz DHGHFCLCUPPGKW-UHFFFAOYSA-N -1 3 289.132 3.698 50 0 CHAAHM CSc1ccccc1NC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000029803310 567884547 /nfs/dbraw/zinc/88/45/47/567884547.db2.gz FJTIQBFCBNGENQ-UHFFFAOYSA-N -1 3 299.355 3.644 50 0 CHAAHM CSc1ccccc1NC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000029803310 567884548 /nfs/dbraw/zinc/88/45/48/567884548.db2.gz FJTIQBFCBNGENQ-UHFFFAOYSA-N -1 3 299.355 3.644 50 0 CHAAHM O=c1[n-]sc(-c2ccccc2)c1-c1ccccc1 ZINC000034104372 567886984 /nfs/dbraw/zinc/88/69/84/567886984.db2.gz GKWBHVGKDSBEEI-UHFFFAOYSA-N -1 3 253.326 3.770 50 0 CHAAHM Cc1ccc([O-])c(CN[C@H](C)c2ccc3c(c2)CCCC3)n1 ZINC000103341102 567942665 /nfs/dbraw/zinc/94/26/65/567942665.db2.gz GPMFGOGUAMIBKO-CQSZACIVSA-N -1 3 296.414 3.825 50 0 CHAAHM Cc1ccc2oc(-c3cccs3)c([O-])c(=O)c2c1 ZINC000001933212 570214913 /nfs/dbraw/zinc/21/49/13/570214913.db2.gz ALJNQXFRDFKNDU-UHFFFAOYSA-N -1 3 258.298 3.536 50 0 CHAAHM Cc1ccc([O-])c(CN(Cc2ccco2)[C@H](C)C(C)C)n1 ZINC000055393684 570243164 /nfs/dbraw/zinc/24/31/64/570243164.db2.gz SXRYYJURSAFUCL-CQSZACIVSA-N -1 3 288.391 3.735 50 0 CHAAHM CCN(c1ccc(C(=O)Nc2ccccc2[O-])cc1)C(C)C ZINC000063876461 570349687 /nfs/dbraw/zinc/34/96/87/570349687.db2.gz AZJRJXIZVRYRHY-UHFFFAOYSA-N -1 3 298.386 3.879 50 0 CHAAHM C[C@H](c1nnc([N-]C(=O)c2ccco2)s1)c1ccccc1 ZINC000012383926 1120641954 /nfs/dbraw/zinc/64/19/54/1120641954.db2.gz RNXHWGDRODSVFH-JTQLQIEISA-N -1 3 299.355 3.535 50 0 CHAAHM S=c1[n-]nc(COc2ccc(Cl)cc2Cl)s1 ZINC000004726231 170006605 /nfs/dbraw/zinc/00/66/05/170006605.db2.gz ZEVRVGVDJKPWFO-UHFFFAOYSA-N -1 3 293.200 3.713 50 0 CHAAHM COc1ccc(-c2c(C)noc2-c2ccc(O)cc2[O-])cc1 ZINC000005423451 170097606 /nfs/dbraw/zinc/09/76/06/170097606.db2.gz DVACAEYJLSVVCC-UHFFFAOYSA-N -1 3 297.310 3.737 50 0 CHAAHM CC[C@H](C)Sc1nnc([N-]C(=O)c2cccs2)s1 ZINC000006703633 170230530 /nfs/dbraw/zinc/23/05/30/170230530.db2.gz FYGSKKYZJJTACS-ZETCQYMHSA-N -1 3 299.446 3.743 50 0 CHAAHM Cc1cc([N-]C(=O)c2csc(-c3ccc(C)cc3)n2)no1 ZINC000009385452 170375698 /nfs/dbraw/zinc/37/56/98/170375698.db2.gz UVORMEONCHBEKJ-UHFFFAOYSA-N -1 3 299.355 3.667 50 0 CHAAHM COc1cccc(-c2cc([O-])cc(Cl)c2)c1F ZINC000065343299 175712734 /nfs/dbraw/zinc/71/27/34/175712734.db2.gz ICUMVTUMOGNIIL-UHFFFAOYSA-N -1 3 252.672 3.860 50 0 CHAAHM CC1=Nc2c(c(=O)[n-]n2C(C)C)[C@H](C(C)C)S1 ZINC000071288450 176110509 /nfs/dbraw/zinc/11/05/09/176110509.db2.gz HDTFBJOHCJVFAY-JTQLQIEISA-N -1 3 253.371 3.663 50 0 CHAAHM CC[C@H](N[C@@H](C)c1cc(F)c(Cl)cc1Cl)C(=O)[O-] ZINC000263566516 522694221 /nfs/dbraw/zinc/69/42/21/522694221.db2.gz GCTPMIZMJMIFIM-KGFZYKRKSA-N -1 3 294.153 3.646 50 0 CHAAHM CC(C)n1[n-]c(=O)c2c1NC(=O)CS[C@H]2C(C)(C)C ZINC000079491333 567122898 /nfs/dbraw/zinc/12/28/98/567122898.db2.gz UXFCAFDINWTHOR-SNVBAGLBSA-N -1 3 283.397 3.592 50 0 CHAAHM CC(C)[C@@H]1SCC(=O)Nc2c1c(=O)[n-]n2C1CCCC1 ZINC000079494654 567123697 /nfs/dbraw/zinc/12/36/97/567123697.db2.gz SVROANMTKHMAIA-LBPRGKRZSA-N -1 3 295.408 3.736 50 0 CHAAHM [O-]c1ccccc1-c1nc(CSc2cccs2)no1 ZINC000095398118 567128442 /nfs/dbraw/zinc/12/84/42/567128442.db2.gz SPZHDFMYUAXPSE-UHFFFAOYSA-N -1 3 290.369 3.796 50 0 CHAAHM Cc1ccc(NC(=O)c2sccc2Cl)c([O-])c1 ZINC000162999844 567163402 /nfs/dbraw/zinc/16/34/02/567163402.db2.gz BTWJLUXQBZDMGC-UHFFFAOYSA-N -1 3 267.737 3.668 50 0 CHAAHM CCNc1nc(=S)[n-]c2sc3c(c21)CC[C@@H](C)C3 ZINC000000157364 567820836 /nfs/dbraw/zinc/82/08/36/567820836.db2.gz BBYHEWATEWNQNI-SSDOTTSWSA-N -1 3 279.434 3.910 50 0 CHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1 ZINC000000461452 567831578 /nfs/dbraw/zinc/83/15/78/567831578.db2.gz LMSHXWITFSFMMF-UHFFFAOYSA-N -1 3 299.754 3.588 50 0 CHAAHM [O-]c1ccc(Cl)cc1-c1cc(-c2ccco2)n[nH]1 ZINC000013120269 567864889 /nfs/dbraw/zinc/86/48/89/567864889.db2.gz DBFZTTDBQHHVGE-UHFFFAOYSA-N -1 3 260.680 3.696 50 0 CHAAHM O=C(CCc1ccccc1Cl)Nc1ccccc1[O-] ZINC000029769678 567884564 /nfs/dbraw/zinc/88/45/64/567884564.db2.gz ZWKHJKGPENFLEW-UHFFFAOYSA-N -1 3 275.735 3.617 50 0 CHAAHM Cc1cc(S(=O)(=O)[N-]c2c(C)cccc2C)ccc1F ZINC000067630449 567900137 /nfs/dbraw/zinc/90/01/37/567900137.db2.gz ZQSWVBATBMTQBL-UHFFFAOYSA-N -1 3 293.363 3.552 50 0 CHAAHM Cc1ccc2[nH]c([C@@H](C)[N-]c3nnc(C4CCC4)o3)nc2c1 ZINC000095377857 567909447 /nfs/dbraw/zinc/90/94/47/567909447.db2.gz GXHQDTSRKIZKRF-SNVBAGLBSA-N -1 3 297.362 3.695 50 0 CHAAHM Cc1ccc2nc([C@@H](C)[N-]c3nnc(C4CCC4)o3)[nH]c2c1 ZINC000095377857 567909448 /nfs/dbraw/zinc/90/94/48/567909448.db2.gz GXHQDTSRKIZKRF-SNVBAGLBSA-N -1 3 297.362 3.695 50 0 CHAAHM CC(C)Cc1ccc([C@@H](C)c2n[nH]c(=S)[n-]2)cc1 ZINC000096193768 567910133 /nfs/dbraw/zinc/91/01/33/567910133.db2.gz CGOSBPJFRUGXNN-SNVBAGLBSA-N -1 3 261.394 3.818 50 0 CHAAHM Cc1cc(=S)[n-]c2cc(Br)ccc12 ZINC000000106751 567922999 /nfs/dbraw/zinc/92/29/99/567922999.db2.gz WODJGCFTELZCJJ-UHFFFAOYSA-N -1 3 254.152 3.968 50 0 CHAAHM S=c1nnc(-c2ccccc2)c(Nc2ccccc2)[n-]1 ZINC000005338495 567931800 /nfs/dbraw/zinc/93/18/00/567931800.db2.gz XDADPWWEWJRKPU-UHFFFAOYSA-N -1 3 280.356 3.571 50 0 CHAAHM [O-]c1cc(Cl)ccc1-c1ccnn1-c1ccccc1 ZINC000328579087 567945448 /nfs/dbraw/zinc/94/54/48/567945448.db2.gz OHFVMKADKRTAOC-UHFFFAOYSA-N -1 3 270.719 3.898 50 0 CHAAHM Cc1ccc(-c2nnc([N-]c3ccccc3)o2)cc1 ZINC000001507332 567955781 /nfs/dbraw/zinc/95/57/81/567955781.db2.gz KDFNGFSYMPCHFO-UHFFFAOYSA-N -1 3 251.289 3.789 50 0 CHAAHM CC[C@@H](C)N(Cc1ccncc1)Cc1ccccc1C(=O)[O-] ZINC000055198573 570241333 /nfs/dbraw/zinc/24/13/33/570241333.db2.gz LOHKIXIDGNXKCF-CQSZACIVSA-N -1 3 298.386 3.581 50 0 CHAAHM S=c1[n-]c(-c2ccccc2)nn1-c1ccccc1 ZINC000000405915 570308495 /nfs/dbraw/zinc/30/84/95/570308495.db2.gz ZUEBSLXIWLEWET-UHFFFAOYSA-N -1 3 253.330 3.597 50 0 CHAAHM O=C1c2cc([N+](=O)[O-])ccc2CC/C1=C/c1ccc([O-])cc1 ZINC000017249811 570407719 /nfs/dbraw/zinc/40/77/19/570407719.db2.gz HQPCYRNRNQFHJH-LCYFTJDESA-N -1 3 295.294 3.513 50 0 CHAAHM CCCN(C(=O)OC(C)(C)C)c1ccc([O-])c(F)c1 ZINC000261494257 190039590 /nfs/dbraw/zinc/03/95/90/190039590.db2.gz SVGSOGXSZUUDDL-UHFFFAOYSA-N -1 3 269.316 3.683 50 0 CHAAHM Cc1ccc(Cl)cc1NC(=O)Nc1ccccc1[O-] ZINC000004771191 170013868 /nfs/dbraw/zinc/01/38/68/170013868.db2.gz OGCHUSJTALUVNW-UHFFFAOYSA-N -1 3 276.723 3.998 50 0 CHAAHM CCCCc1nc2c(c(=O)[n-]1)C(C)(C)Cc1ccccc1-2 ZINC000004809631 170020592 /nfs/dbraw/zinc/02/05/92/170020592.db2.gz VGSZFBNHVMGRJQ-UHFFFAOYSA-N -1 3 282.387 3.613 50 0 CHAAHM CCCOc1cc([O-])c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000005892681 170150716 /nfs/dbraw/zinc/15/07/16/170150716.db2.gz HSGDTPCOQOJOQY-UHFFFAOYSA-N -1 3 296.322 3.954 50 0 biogenic CHAAHM CCc1c([O-])cc(=O)n(-c2ccccc2)c1-c1ccccc1 ZINC000006519475 170208832 /nfs/dbraw/zinc/20/88/32/170208832.db2.gz SOYMRIKAPSBFNE-UHFFFAOYSA-N -1 3 291.350 3.773 50 0 CHAAHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000007402776 170283046 /nfs/dbraw/zinc/28/30/46/170283046.db2.gz WSURTTVVZDLHHR-UHFFFAOYSA-N -1 3 293.363 3.750 50 0 CHAAHM [O-]c1cc(O)ccc1-c1csc(Nc2ccccc2)n1 ZINC000009322076 170371678 /nfs/dbraw/zinc/37/16/78/170371678.db2.gz FXVHSVUUZUOZDG-UHFFFAOYSA-N -1 3 284.340 3.965 50 0 CHAAHM CC(C)Oc1nnc(-c2ccc(Cl)cc2Cl)[n-]1 ZINC000035689867 172357926 /nfs/dbraw/zinc/35/79/26/172357926.db2.gz NRIVEGLQWAHSEP-UHFFFAOYSA-N -1 3 272.135 3.566 50 0 CHAAHM CC(C)Oc1nc(-c2ccc(Cl)cc2Cl)n[n-]1 ZINC000035689867 172357927 /nfs/dbraw/zinc/35/79/27/172357927.db2.gz NRIVEGLQWAHSEP-UHFFFAOYSA-N -1 3 272.135 3.566 50 0 CHAAHM CC(C)Oc1n[n-]c(-c2ccc(Cl)cc2Cl)n1 ZINC000035689867 172357931 /nfs/dbraw/zinc/35/79/31/172357931.db2.gz NRIVEGLQWAHSEP-UHFFFAOYSA-N -1 3 272.135 3.566 50 0 CHAAHM CC(C)c1ccc(/C=C2\c3ccccc3C(=O)[N-]C2=O)cc1 ZINC000045528956 175381558 /nfs/dbraw/zinc/38/15/58/175381558.db2.gz XYZKFIXBQCTDQZ-GZTJUZNOSA-N -1 3 291.350 3.621 50 0 CHAAHM COCCC[C@@H]1CCCN(Cc2ccc([O-])c(Cl)c2)C1 ZINC000077387960 177262032 /nfs/dbraw/zinc/26/20/32/177262032.db2.gz CEIZERSEZVEWEG-ZDUSSCGKSA-N -1 3 297.826 3.684 50 0 CHAAHM COCCC[C@H]1CCCN(Cc2ccc([O-])c(Cl)c2)C1 ZINC000077387966 177262410 /nfs/dbraw/zinc/26/24/10/177262410.db2.gz CEIZERSEZVEWEG-CYBMUJFWSA-N -1 3 297.826 3.684 50 0 CHAAHM O=c1c(-c2ccccc2)cnc2c(-c3ccccc3)c[n-]n21 ZINC000004673499 566872915 /nfs/dbraw/zinc/87/29/15/566872915.db2.gz NNQGEFHNISOBMM-MRXNPFEDSA-N -1 3 287.322 3.690 50 0 CHAAHM Cc1c(Cl)cccc1NC(=O)Cc1cccc([O-])c1F ZINC000170596773 567011670 /nfs/dbraw/zinc/01/16/70/567011670.db2.gz FJXYHLAVBGCHQP-UHFFFAOYSA-N -1 3 293.725 3.674 50 0 CHAAHM Cc1ccc(C(=O)Nc2ccc3sncc3c2)c([O-])c1 ZINC000170607250 567014380 /nfs/dbraw/zinc/01/43/80/567014380.db2.gz NPCLSXNDTFIOCO-UHFFFAOYSA-N -1 3 284.340 3.563 50 0 CHAAHM CSc1ccc(Cl)cc1[N-]C(=O)c1c(C)noc1C ZINC000000109629 567818378 /nfs/dbraw/zinc/81/83/78/567818378.db2.gz UIDYWUIJEAXFJE-UHFFFAOYSA-N -1 3 296.779 3.919 50 0 CHAAHM CSc1ccc(Cl)cc1[N-]C(=O)c1ccco1 ZINC000001048646 567835674 /nfs/dbraw/zinc/83/56/74/567835674.db2.gz SJCVRUOFCIOLHA-UHFFFAOYSA-N -1 3 267.737 3.907 50 0 CHAAHM [O-]c1cccc2ccc(/C=C/c3cccc(O)c3)nc12 ZINC000004351337 567857091 /nfs/dbraw/zinc/85/70/91/567857091.db2.gz ZGCNQHDVSASYMK-VQHVLOKHSA-N -1 3 263.296 3.816 50 0 CHAAHM Cc1ccoc1C(=O)[N-]c1c(C)noc1-c1ccccc1 ZINC000097377538 567860465 /nfs/dbraw/zinc/86/04/65/567860465.db2.gz FNDWJRYHDYCLIP-UHFFFAOYSA-N -1 3 282.299 3.804 50 0 CHAAHM COc1ccc(-c2nc(-c3ccc(O)cc3[O-])cs2)cc1 ZINC000013140849 567865348 /nfs/dbraw/zinc/86/53/48/567865348.db2.gz YEUNPDBTTQHAIH-UHFFFAOYSA-N -1 3 299.351 3.897 50 0 CHAAHM Cc1oc2c(cc3c(C)c/c(=N\[O-])oc3c2C)c1C ZINC000013693404 567867110 /nfs/dbraw/zinc/86/71/10/567867110.db2.gz LNTNRHIPMHBMLU-DTQAZKPQSA-N -1 3 257.289 3.703 50 0 CHAAHM C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccccc2[O-])o1 ZINC000014110844 567868368 /nfs/dbraw/zinc/86/83/68/567868368.db2.gz KYKGYKJCXZAODC-AAEUAGOBSA-N -1 3 285.343 3.680 50 0 CHAAHM CC(C)c1ccc(/C=C2/c3ccccc3C(=O)[N-]C2=O)cc1 ZINC000015661962 567871148 /nfs/dbraw/zinc/87/11/48/567871148.db2.gz XYZKFIXBQCTDQZ-BOPFTXTBSA-N -1 3 291.350 3.621 50 0 CHAAHM O=C(Nc1cccc(F)c1)Sc1ccc([O-])cc1 ZINC000000398554 567875296 /nfs/dbraw/zinc/87/52/96/567875296.db2.gz ICBKUSGOBBCKIW-UHFFFAOYSA-N -1 3 263.293 3.856 50 0 CHAAHM [O-]c1cc(Br)cc(-c2ccc(O)cc2)c1 ZINC000065343749 567898547 /nfs/dbraw/zinc/89/85/47/567898547.db2.gz UKXYKVZENKLOBL-UHFFFAOYSA-N -1 3 265.106 3.527 50 0 CHAAHM [O-]C(=NOCc1ccccc1)Nc1ccccc1Cl ZINC000000041310 567905611 /nfs/dbraw/zinc/90/56/11/567905611.db2.gz DCTPZVSCDLSCAG-UHFFFAOYSA-N -1 3 276.723 3.593 50 0 CHAAHM O=C([N-]OCc1ccccc1)Nc1ccccc1Cl ZINC000000041310 567905613 /nfs/dbraw/zinc/90/56/13/567905613.db2.gz DCTPZVSCDLSCAG-UHFFFAOYSA-N -1 3 276.723 3.593 50 0 CHAAHM Cc1ccc([O-])c(C(=O)N[C@@H](C)c2cccc(Cl)c2)c1 ZINC000016018035 567944044 /nfs/dbraw/zinc/94/40/44/567944044.db2.gz AEJAGBPAMSWZRJ-NSHDSACASA-N -1 3 289.762 3.845 50 0 CHAAHM [O-]c1ccc(I)cc1-c1ccccc1 ZINC000039406679 570234801 /nfs/dbraw/zinc/23/48/01/570234801.db2.gz RNAKFENSCBCFIJ-UHFFFAOYSA-N -1 3 296.107 3.664 50 0 CHAAHM O=C([N-]c1nncs1)c1ccc(-c2ccccc2)cc1F ZINC000047075139 570290712 /nfs/dbraw/zinc/29/07/12/570290712.db2.gz JFZUFXSINNKEOM-UHFFFAOYSA-N -1 3 299.330 3.597 50 0 CHAAHM CCCc1cc(C(=O)Cc2ccc(F)cc2)c(O)cc1[O-] ZINC000000494689 570315758 /nfs/dbraw/zinc/31/57/58/570315758.db2.gz IJQDYIQGYMYBID-UHFFFAOYSA-N -1 3 288.318 3.615 50 0 CHAAHM Cc1cc(Oc2ccccc2[O-])nc(-c2ccccc2)n1 ZINC000012391540 570315786 /nfs/dbraw/zinc/31/57/86/570315786.db2.gz JRUNGXHYSALQDF-UHFFFAOYSA-N -1 3 278.311 3.950 50 0 CHAAHM CCCCc1ccc(OC(=O)c2ccc([O-])cc2)cc1 ZINC000004616631 1118457809 /nfs/dbraw/zinc/45/78/09/1118457809.db2.gz VSBALMOTLANTIW-UHFFFAOYSA-N -1 3 270.328 3.954 50 0 CHAAHM O=C([O-])CCCCN1Cc2ccccc2-c2ccccc2C1 ZINC000181553406 189300062 /nfs/dbraw/zinc/30/00/62/189300062.db2.gz ZYSYNKCZFXZZKL-UHFFFAOYSA-N -1 3 295.382 3.924 50 0 CHAAHM O=c1cc([O-])[nH]c(Cl)c1-c1cccc(C(F)(F)F)c1 ZINC000005626221 170121592 /nfs/dbraw/zinc/12/15/92/170121592.db2.gz UDXLBWATOSGLQT-UHFFFAOYSA-N -1 3 289.640 3.832 50 0 CHAAHM Cc1cccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c1 ZINC000006623260 170219836 /nfs/dbraw/zinc/21/98/36/170219836.db2.gz YGOSNMWMOAZARO-UHFFFAOYSA-N -1 3 289.400 3.919 50 0 CHAAHM Cc1ccc(NC(=O)CSCc2cccs2)c([O-])c1 ZINC000007540483 170290386 /nfs/dbraw/zinc/29/03/86/170290386.db2.gz BIXJKQLQLJPTAW-UHFFFAOYSA-N -1 3 293.413 3.634 50 0 CHAAHM CCc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000008106428 170319408 /nfs/dbraw/zinc/31/94/08/170319408.db2.gz LTELVHPUDLFTBG-UHFFFAOYSA-N -1 3 289.400 3.667 50 0 CHAAHM Cc1ccc([N-]c2nc(-c3ccccc3F)no2)cc1 ZINC000071928107 176302352 /nfs/dbraw/zinc/30/23/52/176302352.db2.gz IKQZRIPFYLOFLR-UHFFFAOYSA-N -1 3 269.279 3.928 50 0 CHAAHM Cc1ccc(-c2csc([N-]C(=O)c3ccno3)n2)cc1C ZINC000010253828 329093532 /nfs/dbraw/zinc/09/35/32/329093532.db2.gz RETCKOBVEMIRGW-UHFFFAOYSA-N -1 3 299.355 3.667 50 0 CHAAHM Cc1ccc(NC(=O)c2cc([O-])c3ccccc3c2)cn1 ZINC000241383572 566826687 /nfs/dbraw/zinc/82/66/87/566826687.db2.gz MWGJPYVRPKRZEX-UHFFFAOYSA-N -1 3 278.311 3.501 50 0 CHAAHM [O-]c1cc(O)ccc1-c1csc(Cc2ccccc2)n1 ZINC000012567954 566850699 /nfs/dbraw/zinc/85/06/99/566850699.db2.gz NQBQQKACFFEQPL-UHFFFAOYSA-N -1 3 283.352 3.812 50 0 CHAAHM O=C(Nc1cccc(Cl)c1)Nc1ccccc1[O-] ZINC000004542301 566909952 /nfs/dbraw/zinc/90/99/52/566909952.db2.gz LVANQXVJDDPHAI-UHFFFAOYSA-N -1 3 262.696 3.690 50 0 CHAAHM Cc1ccc([O-])c(C(=O)Nc2cc(C)cc(C)c2)c1 ZINC000020006514 567126881 /nfs/dbraw/zinc/12/68/81/567126881.db2.gz RLLDTNGZNQBVCD-UHFFFAOYSA-N -1 3 255.317 3.570 50 0 CHAAHM CC(C)c1sc(Cl)nc1C(=O)Nc1ccccc1[O-] ZINC000095477103 567136397 /nfs/dbraw/zinc/13/63/97/567136397.db2.gz TZMYTBXTEZQKEY-UHFFFAOYSA-N -1 3 296.779 3.878 50 0 CHAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1 ZINC000004036443 567183896 /nfs/dbraw/zinc/18/38/96/567183896.db2.gz SUMJKAKBTAJZSJ-UHFFFAOYSA-N -1 3 289.400 3.667 50 0 CHAAHM CCOc1ccc2oc(=O)c(-c3ccc([O-])cc3)c(C)c2c1 ZINC000000057834 567817256 /nfs/dbraw/zinc/81/72/56/567817256.db2.gz MOBDZHABRVPJCH-UHFFFAOYSA-N -1 3 296.322 3.873 50 0 CHAAHM CCc1ccc(C(=O)c2cnc3ccc(F)cc3c2[O-])cc1 ZINC000000248801 567822760 /nfs/dbraw/zinc/82/27/60/567822760.db2.gz KLARQSPOVMTYRJ-UHFFFAOYSA-N -1 3 295.313 3.873 50 0 CHAAHM CC(C)(C)c1ccc(C(=O)Nc2ccccc2[O-])cc1 ZINC000000362700 567827131 /nfs/dbraw/zinc/82/71/31/567827131.db2.gz DLXNCRQYDPODHW-UHFFFAOYSA-N -1 3 269.344 3.942 50 0 CHAAHM [O-]c1ccc(-c2ccccc2)cc1I ZINC000000400276 567829452 /nfs/dbraw/zinc/82/94/52/567829452.db2.gz RXRDOSHIMLSXKG-UHFFFAOYSA-N -1 3 296.107 3.664 50 0 CHAAHM Cc1ccccc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1 ZINC000004660758 567858852 /nfs/dbraw/zinc/85/88/52/567858852.db2.gz ZUJDJIFRCYILGC-UHFFFAOYSA-N -1 3 289.400 3.919 50 0 CHAAHM CCc1[n-]n2c(nc(C)cc2=S)c1-c1ccc(F)cc1 ZINC000013693388 567867035 /nfs/dbraw/zinc/86/70/35/567867035.db2.gz OUUDPUBXLFLPED-UHFFFAOYSA-N -1 3 287.363 3.695 50 0 CHAAHM CCCCCNCc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000019796833 567879169 /nfs/dbraw/zinc/87/91/69/567879169.db2.gz JBZOQMNGHJPESW-UHFFFAOYSA-N -1 3 287.359 3.925 50 0 CHAAHM Cc1c(C)c(-c2ccccc2[O-])nc2cc3c(cc12)OCO3 ZINC000024513333 567943002 /nfs/dbraw/zinc/94/30/02/567943002.db2.gz MXMIXGIVMACDKI-UHFFFAOYSA-N -1 3 293.322 3.953 50 0 CHAAHM Cc1ccc(NC(=O)c2csc3c2CCCC3)c([O-])c1 ZINC000014245157 570287109 /nfs/dbraw/zinc/28/71/09/570287109.db2.gz CMMHFSFKTOVFFB-UHFFFAOYSA-N -1 3 287.384 3.893 50 0 CHAAHM COc1ccc2c(c1)[n-]c(=S)cc2C(F)(F)F ZINC000012249794 570301366 /nfs/dbraw/zinc/30/13/66/570301366.db2.gz HIHCZWIKSBEBBR-UHFFFAOYSA-N -1 3 259.252 3.551 50 0 CHAAHM CN(Cc1cccc([O-])c1Cl)C[C@H]1CC1(C)C ZINC000584898045 570385734 /nfs/dbraw/zinc/38/57/34/570385734.db2.gz UUGRBUUNINZNAG-LLVKDONJSA-N -1 3 253.773 3.524 50 0 CHAAHM COc1cc(F)ccc1C(=O)c1coc2ccc([O-])cc21 ZINC000334160888 206123874 /nfs/dbraw/zinc/12/38/74/206123874.db2.gz OELNNLCVOSPGRU-UHFFFAOYSA-N -1 3 286.258 3.517 50 0 CHAAHM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000006699859 170228593 /nfs/dbraw/zinc/22/85/93/170228593.db2.gz JOEVFDUHOOUYGG-UHFFFAOYSA-N -1 3 289.400 3.721 50 0 CHAAHM O=C([O-])c1ccc(CNCc2cccc3ccccc32)cc1 ZINC000006700817 170229082 /nfs/dbraw/zinc/22/90/82/170229082.db2.gz YRPKXIBVALCMHZ-UHFFFAOYSA-N -1 3 291.350 3.828 50 0 CHAAHM CC[C@@H](C)Sc1nnc([N-]C(=O)c2cccs2)s1 ZINC000006703632 170230670 /nfs/dbraw/zinc/23/06/70/170230670.db2.gz FYGSKKYZJJTACS-SSDOTTSWSA-N -1 3 299.446 3.743 50 0 CHAAHM Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1C ZINC000007409043 170283202 /nfs/dbraw/zinc/28/32/02/170283202.db2.gz UPGQXNQRONKWNL-UHFFFAOYSA-N -1 3 289.400 3.721 50 0 CHAAHM Cc1ccc(-c2csc([N-]C(=O)c3ccno3)n2)c(C)c1 ZINC000010253825 329093395 /nfs/dbraw/zinc/09/33/95/329093395.db2.gz ZCTCPQZQLNPXBC-UHFFFAOYSA-N -1 3 299.355 3.667 50 0 CHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c(C)c1 ZINC000005579209 534212398 /nfs/dbraw/zinc/21/23/98/534212398.db2.gz PWUUQCYODWUULM-UHFFFAOYSA-N -1 3 289.400 3.721 50 0 CHAAHM C/C(=C/c1cc([O-])ccc1Br)c1cnccn1 ZINC000126536384 527499294 /nfs/dbraw/zinc/49/92/94/527499294.db2.gz RKXSQNPPLZWZKJ-TWGQIWQCSA-N -1 3 291.148 3.505 50 0 CHAAHM CC(C)=CCc1cc(I)ccc1[O-] ZINC000015043169 566830137 /nfs/dbraw/zinc/83/01/37/566830137.db2.gz IATHVBOBDPRFCI-UHFFFAOYSA-N -1 3 288.128 3.506 50 0 CHAAHM Fc1ccccc1CSc1n[n-]c(-c2cccs2)n1 ZINC000003324662 567167666 /nfs/dbraw/zinc/16/76/66/567167666.db2.gz RCGDPHWTBQRCHL-UHFFFAOYSA-N -1 3 291.376 3.965 50 0 CHAAHM CCCC1(CCC)C(=O)N=C(Nc2ccccc2)[N-]C1=O ZINC000004030213 567183992 /nfs/dbraw/zinc/18/39/92/567183992.db2.gz QJOFSMJQLFFPOW-UHFFFAOYSA-N -1 3 287.363 3.538 50 0 CHAAHM Cc1ccc2oc(=O)c(-c3nc4ccccc4[n-]3)cc2c1 ZINC000000111274 567818506 /nfs/dbraw/zinc/81/85/06/567818506.db2.gz AHDRAUGWDUXXFF-UHFFFAOYSA-N -1 3 276.295 3.645 50 0 CHAAHM CCNc1nc(=S)[n-]c2sc3c(c21)CC[C@H](C)C3 ZINC000000157361 567820715 /nfs/dbraw/zinc/82/07/15/567820715.db2.gz BBYHEWATEWNQNI-ZETCQYMHSA-N -1 3 279.434 3.910 50 0 CHAAHM CC(=O)c1cc2c(C)c(C(=O)c3ccccc3)oc2cc1[O-] ZINC000000366815 567827476 /nfs/dbraw/zinc/82/74/76/567827476.db2.gz PQJFCVNRDWTZGH-UHFFFAOYSA-N -1 3 294.306 3.880 50 0 CHAAHM COc1cccc(/C=C/c2ccc3cccc([O-])c3n2)c1O ZINC000003905830 567854507 /nfs/dbraw/zinc/85/45/07/567854507.db2.gz QDTNIMDVXGIDGA-PKNBQFBNSA-N -1 3 293.322 3.825 50 0 CHAAHM COc1ccc(/C=C/c2ccc3cccc([O-])c3n2)cc1O ZINC000003905828 567854640 /nfs/dbraw/zinc/85/46/40/567854640.db2.gz WXSCVYJSVRNEBH-VMPITWQZSA-N -1 3 293.322 3.825 50 0 biogenic CHAAHM [O-]c1cccc2ccc(/C=C/c3ccc4c(c3)OCO4)nc12 ZINC000004302803 567856740 /nfs/dbraw/zinc/85/67/40/567856740.db2.gz JBRXQRJDXQJFIS-QPJJXVBHSA-N -1 3 291.306 3.840 50 0 CHAAHM COc1ccc(/C=C/c2noc(-c3ccccc3[O-])n2)cc1 ZINC000013120483 567864908 /nfs/dbraw/zinc/86/49/08/567864908.db2.gz NNGXWSJCTXANCH-DHZHZOJOSA-N -1 3 294.310 3.621 50 0 CHAAHM CCCCNCc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000016552455 567872838 /nfs/dbraw/zinc/87/28/38/567872838.db2.gz AXXZORRDOSSXAR-UHFFFAOYSA-N -1 3 273.332 3.535 50 0 CHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)c(C)c1 ZINC000032601916 567886376 /nfs/dbraw/zinc/88/63/76/567886376.db2.gz PEMMNHXKOOZWJL-UHFFFAOYSA-N -1 3 293.363 3.552 50 0 CHAAHM C[C@@H](c1cccs1)N(C)Cc1ccccc1C(=O)[O-] ZINC000049727607 567893375 /nfs/dbraw/zinc/89/33/75/567893375.db2.gz NBXSICWJVDAXAC-NSHDSACASA-N -1 3 275.373 3.639 50 0 CHAAHM CC(C)c1nnc([N-]C(=O)c2cc3ccccc3o2)s1 ZINC000000034221 567904560 /nfs/dbraw/zinc/90/45/60/567904560.db2.gz BDGLMMJQDJGLHH-UHFFFAOYSA-N -1 3 287.344 3.660 50 0 CHAAHM [O-]c1ccc(CNc2cccc(F)c2)c2cccnc12 ZINC000000075144 567907572 /nfs/dbraw/zinc/90/75/72/567907572.db2.gz YPZYDQZJABDHQW-UHFFFAOYSA-N -1 3 268.291 3.692 50 0 CHAAHM Cc1nc(-c2ccccc2)sc1-c1ccc(=S)[n-]n1 ZINC000061966057 567931685 /nfs/dbraw/zinc/93/16/85/567931685.db2.gz XRYBCTILQFNBSU-UHFFFAOYSA-N -1 3 285.397 3.864 50 0 CHAAHM CC(C)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000005633617 567938638 /nfs/dbraw/zinc/93/86/38/567938638.db2.gz SUAYUPKXONPBHA-UHFFFAOYSA-N -1 3 293.363 3.750 50 0 CHAAHM [O-]c1c(-c2cc(C(F)(F)F)[nH]n2)ccc2ccccc12 ZINC000000061024 570251139 /nfs/dbraw/zinc/25/11/39/570251139.db2.gz UNXDMHYQIYIAMH-UHFFFAOYSA-N -1 3 278.233 3.954 50 0 CHAAHM Cc1ccnc(N=Cc2cc(Br)ccc2[O-])c1 ZINC000254308932 1129684413 /nfs/dbraw/zinc/68/44/13/1129684413.db2.gz UZJZVPXYNRSYAJ-UHFFFAOYSA-N -1 3 291.148 3.609 50 0 CHAAHM COc1cc(C=N[O-])ccc1OCc1ccc(Cl)cc1 ZINC000254837573 1120912781 /nfs/dbraw/zinc/91/27/81/1120912781.db2.gz GOJBOTXFJSHHLA-UHFFFAOYSA-N -1 3 291.734 3.736 50 0 CHAAHM Cc1nccc(Oc2cccc(C(F)(F)F)c2)c1[O-] ZINC000005798652 1121454138 /nfs/dbraw/zinc/45/41/38/1121454138.db2.gz WDGCKTBDIAERHS-UHFFFAOYSA-N -1 3 269.222 3.907 50 0 CHAAHM CSc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000006416089 170199430 /nfs/dbraw/zinc/19/94/30/170199430.db2.gz OYQPHKHWGCWOPM-UHFFFAOYSA-N -1 3 293.413 3.518 50 0 CHAAHM Cc1ccc2[nH]c([C@H]3CC[C@](C)(C(=O)[O-])C3(C)C)nc2c1 ZINC000006413538 170199517 /nfs/dbraw/zinc/19/95/17/170199517.db2.gz OBWBVBGCJSKNJY-PIGZYNQJSA-N -1 3 286.375 3.866 50 0 CHAAHM Cc1ccc2nc([C@H]3CC[C@](C)(C(=O)[O-])C3(C)C)[nH]c2c1 ZINC000006413538 170199518 /nfs/dbraw/zinc/19/95/18/170199518.db2.gz OBWBVBGCJSKNJY-PIGZYNQJSA-N -1 3 286.375 3.866 50 0 CHAAHM CCCCS(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1 ZINC000006698558 170227908 /nfs/dbraw/zinc/22/79/08/170227908.db2.gz SCUNXUWQPZOXJC-UHFFFAOYSA-N -1 3 282.192 3.535 50 0 CHAAHM [O-]c1cc(O)ccc1-c1csc(NCc2ccccc2)n1 ZINC000006787992 170244044 /nfs/dbraw/zinc/24/40/44/170244044.db2.gz PBYTYQVOPNPPRS-UHFFFAOYSA-N -1 3 298.367 3.833 50 0 CHAAHM [O-]c1ccccc1-c1nnc(Nc2ccccc2)s1 ZINC000007715231 170298850 /nfs/dbraw/zinc/29/88/50/170298850.db2.gz BZKYEWHAZDRBRF-UHFFFAOYSA-N -1 3 269.329 3.654 50 0 CHAAHM Fc1cccc(CSc2n[n-]c(-c3cccs3)n2)c1 ZINC000008230652 170325933 /nfs/dbraw/zinc/32/59/33/170325933.db2.gz YNONZBRIUPAYCB-UHFFFAOYSA-N -1 3 291.376 3.965 50 0 CHAAHM O=c1nc(-c2cccs2)[n-]c2sc3c(c21)CCCC3 ZINC000009359916 170373525 /nfs/dbraw/zinc/37/35/25/170373525.db2.gz WZYBDMHWVZTVKK-UHFFFAOYSA-N -1 3 288.397 3.592 50 0 CHAAHM [O-]c1cc(O)ccc1-c1csc(-c2ccsc2)n1 ZINC000009513557 170380049 /nfs/dbraw/zinc/38/00/49/170380049.db2.gz ONOFUYZTDRABPB-UHFFFAOYSA-N -1 3 275.354 3.950 50 0 CHAAHM Cc1ccc([O-])c(C(=O)Nc2cccc3c2CCCC3)c1 ZINC000020551821 171247355 /nfs/dbraw/zinc/24/73/55/171247355.db2.gz JCKHSCQFWYLTQO-UHFFFAOYSA-N -1 3 281.355 3.832 50 0 CHAAHM [O-]c1cccc2ccc(/C=C/c3cccc4c3OCO4)nc12 ZINC000040139761 174194158 /nfs/dbraw/zinc/19/41/58/174194158.db2.gz FGQXMYHRMCMJEM-CSKARUKUSA-N -1 3 291.306 3.840 50 0 CHAAHM CC(C)(C)OC(=O)N1CCC(c2c([O-])cccc2F)CC1 ZINC000040450096 174265982 /nfs/dbraw/zinc/26/59/82/174265982.db2.gz CMSDEXYWZHZUFX-UHFFFAOYSA-N -1 3 295.354 3.646 50 0 CHAAHM O=C(CC1(n2cccc2)CCCCC1)Nc1ccccc1[O-] ZINC000095480431 567136278 /nfs/dbraw/zinc/13/62/78/567136278.db2.gz VEZPPASLZFTFNW-UHFFFAOYSA-N -1 3 298.386 3.882 50 0 CHAAHM COc1ccc(-c2csc3[n-]c(=S)nc(N)c23)cc1 ZINC000032089341 567187175 /nfs/dbraw/zinc/18/71/75/567187175.db2.gz RDXTYHXNCPIEAQ-UHFFFAOYSA-N -1 3 289.385 3.612 50 0 CHAAHM CCOC(=O)c1c(C)oc2c1cc([O-])c1ccccc21 ZINC000000042653 567816851 /nfs/dbraw/zinc/81/68/51/567816851.db2.gz NAYMIPUFIQUKOS-UHFFFAOYSA-N -1 3 270.284 3.777 50 0 aggregator CHAAHM O=C(Nc1cc(Cl)ccc1Cl)c1ccc([O-])cc1 ZINC000000145880 567820005 /nfs/dbraw/zinc/82/00/05/567820005.db2.gz ZSJWUXBVPSJEEO-UHFFFAOYSA-N -1 3 282.126 3.951 50 0 CHAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)c(C)c1 ZINC000000253057 567823258 /nfs/dbraw/zinc/82/32/58/567823258.db2.gz CTABIJPYCYSFTA-UHFFFAOYSA-N -1 3 293.363 3.552 50 0 CHAAHM Cc1cc(C)c([N-]S(=O)(=O)c2ccccc2C)c(C)c1 ZINC000000364070 567826972 /nfs/dbraw/zinc/82/69/72/567826972.db2.gz RZYYSNXFSPSJOF-UHFFFAOYSA-N -1 3 289.400 3.721 50 0 CHAAHM CC1(C)CC(=O)c2c([O-])cc(Cc3ccccc3)cc2O1 ZINC000000367565 567827245 /nfs/dbraw/zinc/82/72/45/567827245.db2.gz DNHJPJJXQOKFPE-UHFFFAOYSA-N -1 3 282.339 3.727 50 0 CHAAHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000000380194 567828039 /nfs/dbraw/zinc/82/80/39/567828039.db2.gz PCAOGFQYUBJMPE-UHFFFAOYSA-N -1 3 289.400 3.721 50 0 CHAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C ZINC000000619833 567834820 /nfs/dbraw/zinc/83/48/20/567834820.db2.gz GXISPGZALMVSHI-UHFFFAOYSA-N -1 3 293.363 3.552 50 0 CHAAHM CCCCc1ccc(NC(=O)c2ccc([O-])cc2)cc1 ZINC000001871159 567843742 /nfs/dbraw/zinc/84/37/42/567843742.db2.gz PWYAWMMPEUKLLB-UHFFFAOYSA-N -1 3 269.344 3.987 50 0 CHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2)cc1 ZINC000002181307 567845058 /nfs/dbraw/zinc/84/50/58/567845058.db2.gz ZIRSUMJKMNSBOU-UHFFFAOYSA-N -1 3 289.400 3.919 50 0 CHAAHM CCCc1cc(C(=O)[N-]c2ccccc2SC)no1 ZINC000003908973 567854494 /nfs/dbraw/zinc/85/44/94/567854494.db2.gz WUNROTRAZZYREW-UHFFFAOYSA-N -1 3 276.361 3.601 50 0 CHAAHM O=C([N-]c1nsc(-c2ccccc2)n1)c1cccs1 ZINC000002889443 567860638 /nfs/dbraw/zinc/86/06/38/567860638.db2.gz DUCAOMWMESCFAG-UHFFFAOYSA-N -1 3 287.369 3.519 50 0 CHAAHM CCc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000019897684 567879566 /nfs/dbraw/zinc/87/95/66/567879566.db2.gz OHQAXOJVZAFODZ-UHFFFAOYSA-N -1 3 275.735 3.860 50 0 CHAAHM CC(C)Cc1ccc([C@H](C)c2n[nH]c(=S)[n-]2)cc1 ZINC000096193769 567910070 /nfs/dbraw/zinc/91/00/70/567910070.db2.gz CGOSBPJFRUGXNN-JTQLQIEISA-N -1 3 261.394 3.818 50 0 CHAAHM O=c1c([O-])c(-c2ccc(Cl)cc2)oc2ccccc12 ZINC000000284551 567926034 /nfs/dbraw/zinc/92/60/34/567926034.db2.gz KRLBFAOXSDMNIZ-UHFFFAOYSA-N -1 3 272.687 3.819 50 0 CHAAHM CC[C@H](C(=O)Nc1ccc(C)cc1[O-])c1ccccc1 ZINC000004666609 567938340 /nfs/dbraw/zinc/93/83/40/567938340.db2.gz YTLDMXHICZPKQT-AWEZNQCLSA-N -1 3 269.344 3.833 50 0 CHAAHM CCSc1nnc(-c2ccccc2[O-])n1-c1ccccc1 ZINC000016576619 567938641 /nfs/dbraw/zinc/93/86/41/567938641.db2.gz GDXHNHPMQNBGGB-UHFFFAOYSA-N -1 3 297.383 3.752 50 0 CHAAHM Nc1nc(=S)[n-]c2sc3c(c21)-c1ccccc1CC3 ZINC000024545263 567943284 /nfs/dbraw/zinc/94/32/84/567943284.db2.gz PZIBFTLUXFFGSF-UHFFFAOYSA-N -1 3 285.397 3.702 50 0 CHAAHM Cc1ccc([O-])c(C(=O)Nc2cccc(C)c2C)c1 ZINC000019840422 567944821 /nfs/dbraw/zinc/94/48/21/567944821.db2.gz TTYHEZAIXUWFMO-UHFFFAOYSA-N -1 3 255.317 3.570 50 0 CHAAHM CC(C)c1csc2[n-]c([C@H]3CCCS3)nc(=O)c12 ZINC000098019088 570383198 /nfs/dbraw/zinc/38/31/98/570383198.db2.gz VLIZSCUKJAFJNQ-SECBINFHSA-N -1 3 280.418 3.676 50 0 CHAAHM CC(=NNc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000254557167 1129701020 /nfs/dbraw/zinc/70/10/20/1129701020.db2.gz JFBPXTKSRDRZFA-UHFFFAOYSA-N -1 3 260.724 3.882 50 0 CHAAHM Cc1cc(C)c2oc(-c3cccs3)c([O-])c(=O)c2c1 ZINC000001788345 230367107 /nfs/dbraw/zinc/36/71/07/230367107.db2.gz TVHDFNBZDIZXJG-UHFFFAOYSA-N -1 3 272.325 3.844 50 0 CHAAHM [O-]c1ccc(COC2CCCCC2)c2cccnc12 ZINC000000282495 169596448 /nfs/dbraw/zinc/59/64/48/169596448.db2.gz PMMQBDJFQVDLOB-UHFFFAOYSA-N -1 3 257.333 3.790 50 0 CHAAHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000005121379 260017013 /nfs/dbraw/zinc/01/70/13/260017013.db2.gz YIEZWMBEYJPCRZ-UHFFFAOYSA-N -1 3 293.363 3.750 50 0 CHAAHM Cc1[nH]nc(-c2c(C)cc(O)cc2[O-])c1Oc1ccccc1 ZINC000004756018 170012847 /nfs/dbraw/zinc/01/28/47/170012847.db2.gz CLGJWTGVWMFTCX-UHFFFAOYSA-N -1 3 296.326 3.897 50 0 CHAAHM Cc1ccc2[nH]c([C@H]3CC[C@@](C)(C(=O)[O-])C3(C)C)nc2c1 ZINC000006413535 170199450 /nfs/dbraw/zinc/19/94/50/170199450.db2.gz OBWBVBGCJSKNJY-DIFFPNOSSA-N -1 3 286.375 3.866 50 0 CHAAHM Cc1ccc2nc([C@H]3CC[C@@](C)(C(=O)[O-])C3(C)C)[nH]c2c1 ZINC000006413535 170199452 /nfs/dbraw/zinc/19/94/52/170199452.db2.gz OBWBVBGCJSKNJY-DIFFPNOSSA-N -1 3 286.375 3.866 50 0 CHAAHM Cc1ccc2[nH]c([C@@H]3CC[C@](C)(C(=O)[O-])C3(C)C)nc2c1 ZINC000006413533 170199675 /nfs/dbraw/zinc/19/96/75/170199675.db2.gz OBWBVBGCJSKNJY-APPDUMDISA-N -1 3 286.375 3.866 50 0 CHAAHM Cc1ccc2nc([C@@H]3CC[C@](C)(C(=O)[O-])C3(C)C)[nH]c2c1 ZINC000006413533 170199676 /nfs/dbraw/zinc/19/96/76/170199676.db2.gz OBWBVBGCJSKNJY-APPDUMDISA-N -1 3 286.375 3.866 50 0 CHAAHM FC(F)(F)c1nnc(SCc2ccc(Cl)cc2)[n-]1 ZINC000006512367 170208316 /nfs/dbraw/zinc/20/83/16/170208316.db2.gz FDZCLGROJMHINZ-UHFFFAOYSA-N -1 3 293.701 3.769 50 0 CHAAHM FC(F)(F)c1n[n-]c(SCc2ccc(Cl)cc2)n1 ZINC000006512367 170208318 /nfs/dbraw/zinc/20/83/18/170208318.db2.gz FDZCLGROJMHINZ-UHFFFAOYSA-N -1 3 293.701 3.769 50 0 CHAAHM FC(F)(F)c1nc(SCc2ccc(Cl)cc2)n[n-]1 ZINC000006512367 170208319 /nfs/dbraw/zinc/20/83/19/170208319.db2.gz FDZCLGROJMHINZ-UHFFFAOYSA-N -1 3 293.701 3.769 50 0 CHAAHM CCCSc1nnc([N-]c2ccccc2F)s1 ZINC000006784858 170243609 /nfs/dbraw/zinc/24/36/09/170243609.db2.gz ZMVNHYAVIGVREA-UHFFFAOYSA-N -1 3 269.370 3.923 50 0 CHAAHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000007053408 170264203 /nfs/dbraw/zinc/26/42/03/170264203.db2.gz SJKXBHYMWQSVKM-UHFFFAOYSA-N -1 3 289.400 3.748 50 0 CHAAHM Cc1ccc(-c2noc(-c3cc(-c4ccco4)n[n-]3)n2)cc1 ZINC000007424891 170284035 /nfs/dbraw/zinc/28/40/35/170284035.db2.gz JDXRMPSYPUUTLJ-UHFFFAOYSA-N -1 3 292.298 3.695 50 0 CHAAHM Cc1ccc(-c2noc(-c3cc(-c4ccco4)[n-]n3)n2)cc1 ZINC000007424891 170284037 /nfs/dbraw/zinc/28/40/37/170284037.db2.gz JDXRMPSYPUUTLJ-UHFFFAOYSA-N -1 3 292.298 3.695 50 0 CHAAHM Cc1ccc(NC(=O)c2ccc(COC(C)C)cc2)c([O-])c1 ZINC000007540533 170290328 /nfs/dbraw/zinc/29/03/28/170290328.db2.gz SXNXXMNNNZRCJI-UHFFFAOYSA-N -1 3 299.370 3.878 50 0 CHAAHM Cc1coc2c1c(C)cc1o/c(=N/[O-])c3c(c21)CCCC3 ZINC000009183685 170365332 /nfs/dbraw/zinc/36/53/32/170365332.db2.gz XCAXPYBYAAZLMG-ISLYRVAYSA-N -1 3 283.327 3.965 50 0 CHAAHM O=C(Cc1c(Cl)cccc1Cl)Nc1ccccc1[O-] ZINC000009495649 170378868 /nfs/dbraw/zinc/37/88/68/170378868.db2.gz PTEKFLKSALMJNI-UHFFFAOYSA-N -1 3 296.153 3.880 50 0 CHAAHM Cc1cccnc1[C@H](NCc1ccc(C(=O)[O-])cc1)C(C)C ZINC000263559227 525553152 /nfs/dbraw/zinc/55/31/52/525553152.db2.gz ATVKULDQIAOGSL-MRXNPFEDSA-N -1 3 298.386 3.575 50 0 CHAAHM O=C(Nc1ncccc1[O-])c1ccc(-c2ccccc2)cc1 ZINC000012644874 566857509 /nfs/dbraw/zinc/85/75/09/566857509.db2.gz KSSIEWQKURXCBN-UHFFFAOYSA-N -1 3 290.322 3.707 50 0 CHAAHM Cc1ccc(/C=C/S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000042653957 567017684 /nfs/dbraw/zinc/01/76/84/567017684.db2.gz UBBICKAFPKFPIS-ZHACJKMWSA-N -1 3 291.347 3.547 50 0 CHAAHM CC(C)n1[n-]c(=O)c2c1NC(=O)CS[C@@H]2C(C)(C)C ZINC000079491339 567123301 /nfs/dbraw/zinc/12/33/01/567123301.db2.gz UXFCAFDINWTHOR-JTQLQIEISA-N -1 3 283.397 3.592 50 0 CHAAHM O=C([N-]c1nncs1)c1sccc1-c1ccccc1 ZINC000003336414 567170087 /nfs/dbraw/zinc/17/00/87/567170087.db2.gz DJSSQRANVGMLOK-UHFFFAOYSA-N -1 3 287.369 3.519 50 0 CHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000000047657 567816926 /nfs/dbraw/zinc/81/69/26/567816926.db2.gz JFEVWGHZNOPIHV-UHFFFAOYSA-N -1 3 295.791 3.758 50 0 CHAAHM O=C([N-]c1ccno1)Nc1ccc(Cl)cc1Cl ZINC000000122417 567818975 /nfs/dbraw/zinc/81/89/75/567818975.db2.gz DDEFDHBAPLUCLF-UHFFFAOYSA-N -1 3 272.091 3.625 50 0 CHAAHM Cc1ccc([O-])c(C(=O)N(C)Cc2ccccc2Cl)c1 ZINC000023491684 567923890 /nfs/dbraw/zinc/92/38/90/567923890.db2.gz QBLANTNSMWCLFZ-UHFFFAOYSA-N -1 3 289.762 3.626 50 0 CHAAHM CSc1ccccc1[N-]C(=O)c1noc2c1CCCC2 ZINC000000426347 567930563 /nfs/dbraw/zinc/93/05/63/567930563.db2.gz CMUZXJHXNZZQDP-UHFFFAOYSA-N -1 3 288.372 3.528 50 0 CHAAHM Cc1ccc([O-])c(C(=O)N[C@H](C)c2cccc(Cl)c2)c1 ZINC000016018034 567944196 /nfs/dbraw/zinc/94/41/96/567944196.db2.gz AEJAGBPAMSWZRJ-LLVKDONJSA-N -1 3 289.762 3.845 50 0 CHAAHM Cc1nc(Nc2ccc(F)cc2)[n-]c(=O)c1CCC(C)C ZINC000017781355 230371887 /nfs/dbraw/zinc/37/18/87/230371887.db2.gz VGLRQUXOPQEKQZ-UHFFFAOYSA-N -1 3 289.354 3.550 50 0 CHAAHM Cc1cc([O-])c(F)c(OCc2ccccc2)c1F ZINC000261494040 190039874 /nfs/dbraw/zinc/03/98/74/190039874.db2.gz OJDYNSNXEWVFHL-UHFFFAOYSA-N -1 3 250.244 3.558 50 0 CHAAHM O=C(/C=C/c1ccc(Cl)cc1)Nc1ccccc1[O-] ZINC000000064014 169523379 /nfs/dbraw/zinc/52/33/79/169523379.db2.gz CJFFGRHEAFMPSX-JXMROGBWSA-N -1 3 273.719 3.698 50 0 biogenic CHAAHM CCc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1 ZINC000005262273 170080894 /nfs/dbraw/zinc/08/08/94/170080894.db2.gz JOEPMXOKTKRYBM-UHFFFAOYSA-N -1 3 289.400 3.667 50 0 CHAAHM Cc1ccc(NC(=O)c2cccc(C)c2C)c([O-])c1 ZINC000006084724 170174501 /nfs/dbraw/zinc/17/45/01/170174501.db2.gz GQOBQCQYKSERKG-UHFFFAOYSA-N -1 3 255.317 3.570 50 0 CHAAHM COc1ccccc1-c1c(C)noc1-c1ccc(O)cc1[O-] ZINC000006719638 170231824 /nfs/dbraw/zinc/23/18/24/170231824.db2.gz QJGMNBFOCGNUBZ-UHFFFAOYSA-N -1 3 297.310 3.737 50 0 CHAAHM CSCc1cccc(C(=O)Nc2ccccc2[O-])c1 ZINC000009217530 170366810 /nfs/dbraw/zinc/36/68/10/170366810.db2.gz WYTDOEYLCOWGSR-UHFFFAOYSA-N -1 3 273.357 3.508 50 0 CHAAHM Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2F)c([O-])c1 ZINC000009337075 170372873 /nfs/dbraw/zinc/37/28/73/170372873.db2.gz JMXYSSKNGBFKKP-CHWSQXEVSA-N -1 3 285.318 3.582 50 0 CHAAHM CCC[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000020821195 171273492 /nfs/dbraw/zinc/27/34/92/171273492.db2.gz LVZKCDNWQMTKMV-INIZCTEOSA-N -1 3 269.344 3.663 50 0 CHAAHM O=C([N-]c1noc(-c2ccccc2)n1)c1ccccc1Cl ZINC000021800294 171325729 /nfs/dbraw/zinc/32/57/29/171325729.db2.gz STEYLMZENNQNKA-UHFFFAOYSA-N -1 3 299.717 3.642 50 0 CHAAHM Cc1cc([N-]C(=O)c2cc(-c3ccc(C)c(C)c3)on2)no1 ZINC000027582417 171523549 /nfs/dbraw/zinc/52/35/49/171523549.db2.gz FYKIUFRKQUZUFP-UHFFFAOYSA-N -1 3 297.314 3.507 50 0 CHAAHM C[C@H](NC(=O)c1c[n-]nc1-c1cccs1)c1ccccc1 ZINC000072329464 176369982 /nfs/dbraw/zinc/36/99/82/176369982.db2.gz TUJFBCQNQZNLOK-NSHDSACASA-N -1 3 297.383 3.629 50 0 CHAAHM CC[C@@H](N[C@H](C)c1cc(F)c(Cl)cc1Cl)C(=O)[O-] ZINC000263566517 522935435 /nfs/dbraw/zinc/93/54/35/522935435.db2.gz GCTPMIZMJMIFIM-KSBSHMNSSA-N -1 3 294.153 3.646 50 0 CHAAHM COC(=O)c1ccc(-c2ccc([O-])c(F)c2)cc1Cl ZINC000065341181 567898794 /nfs/dbraw/zinc/89/87/94/567898794.db2.gz GYJKDFMONVCQLQ-UHFFFAOYSA-N -1 3 280.682 3.638 50 0 CHAAHM O=C(/C=C/c1ccc(Cl)s1)[N-]OCc1ccccc1 ZINC000031616016 566843760 /nfs/dbraw/zinc/84/37/60/566843760.db2.gz UACZBFGWLKNMPZ-VQHVLOKHSA-N -1 3 293.775 3.663 50 0 CHAAHM O=C(Nc1ccccc1)N([O-])c1ccc(Cl)cc1 ZINC000000212975 566900420 /nfs/dbraw/zinc/90/04/20/566900420.db2.gz VPKUSXKFSBUBSQ-UHFFFAOYSA-N -1 3 262.696 3.768 50 0 CHAAHM C[C@H](NC(=O)c1ccccc1[O-])c1cccc(Cl)c1 ZINC000012999631 566956762 /nfs/dbraw/zinc/95/67/62/566956762.db2.gz RLAWJHKSXZELKV-JTQLQIEISA-N -1 3 275.735 3.537 50 0 CHAAHM Cc1cc(Nc2ccccc2)c2cc(C(=O)[O-])ccc2n1 ZINC000004226492 567193167 /nfs/dbraw/zinc/19/31/67/567193167.db2.gz LAESUXRBXOMZGV-UHFFFAOYSA-N -1 3 278.311 3.985 50 0 CHAAHM Cc1ccc(NC(=O)c2ccccc2Cl)c([O-])c1 ZINC000000383777 567828387 /nfs/dbraw/zinc/82/83/87/567828387.db2.gz JVKXRVPMRQGOJL-UHFFFAOYSA-N -1 3 261.708 3.606 50 0 CHAAHM [O-]c1ccc(Cl)cc1-c1ccnn1-c1ccccc1 ZINC000000404241 567829418 /nfs/dbraw/zinc/82/94/18/567829418.db2.gz LORUSDINHPKFMM-UHFFFAOYSA-N -1 3 270.719 3.898 50 0 CHAAHM Cc1cc(C(=O)CSc2ccccc2)cc(C)c1[O-] ZINC000001400837 567837247 /nfs/dbraw/zinc/83/72/47/567837247.db2.gz KBJLPKYOMLJEHI-UHFFFAOYSA-N -1 3 272.369 3.984 50 0 CHAAHM Cc1ccc(-c2nonc2[N-]C(=O)c2cccs2)cc1C ZINC000015670741 567871047 /nfs/dbraw/zinc/87/10/47/567871047.db2.gz JDRFKVNEKKAWLQ-UHFFFAOYSA-N -1 3 299.355 3.667 50 0 CHAAHM C[C@H](c1cccs1)N(C)Cc1ccccc1C(=O)[O-] ZINC000049727608 567893550 /nfs/dbraw/zinc/89/35/50/567893550.db2.gz NBXSICWJVDAXAC-LLVKDONJSA-N -1 3 275.373 3.639 50 0 CHAAHM Cc1cccc([C@H]2CCCN(C(=O)c3ccccc3[O-])C2)c1 ZINC000067965801 567900903 /nfs/dbraw/zinc/90/09/03/567900903.db2.gz IPICAKCUDZMLMV-INIZCTEOSA-N -1 3 295.382 3.720 50 0 CHAAHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000003581417 567932344 /nfs/dbraw/zinc/93/23/44/567932344.db2.gz TZESTLPXGKEQDO-UHFFFAOYSA-N -1 3 289.400 3.721 50 0 CHAAHM Cc1ccccc1-c1cc([O-])c(C)c(=O)n1-c1ccccc1 ZINC000006664945 570217653 /nfs/dbraw/zinc/21/76/53/570217653.db2.gz YGQMCJZEICOBBH-UHFFFAOYSA-N -1 3 291.350 3.827 50 0 CHAAHM Cc1noc([N-]C(=O)Nc2cccc(C(F)(F)F)c2)c1C ZINC000005921699 570326032 /nfs/dbraw/zinc/32/60/32/570326032.db2.gz IGYDYGFPXDJMTR-UHFFFAOYSA-N -1 3 299.252 3.954 50 0 CHAAHM CC(C)(C)n1cc([N-]c2nc3ccccc3o2)cn1 ZINC000049441691 570344773 /nfs/dbraw/zinc/34/47/73/570344773.db2.gz FSGWEDOCRCBKQM-UHFFFAOYSA-N -1 3 256.309 3.523 50 0 CHAAHM O=C(c1coc2c1cc([O-])c1ccccc21)c1ccccn1 ZINC000006243846 570349952 /nfs/dbraw/zinc/34/99/52/570349952.db2.gz RKEZFUHEICJQJT-UHFFFAOYSA-N -1 3 289.290 3.918 50 0 CHAAHM O=C(/C=C/SCc1ccco1)Nc1cc(F)ccc1[O-] ZINC000095443639 1119741638 /nfs/dbraw/zinc/74/16/38/1119741638.db2.gz DSEZNPYSZUETQO-FNORWQNLSA-N -1 3 293.319 3.510 50 0 CHAAHM Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccccc2[O-])n1 ZINC000000130680 169547176 /nfs/dbraw/zinc/54/71/76/169547176.db2.gz CMYSPHIEHNZLJW-UHFFFAOYSA-N -1 3 297.745 3.752 50 0 CHAAHM Cc1ccsc1/C=C/c1noc(-c2ccccc2[O-])n1 ZINC000005340308 170087772 /nfs/dbraw/zinc/08/77/72/170087772.db2.gz HDAYKIBMRMKDNC-VOTSOKGWSA-N -1 3 284.340 3.983 50 0 CHAAHM Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)c([O-])c1 ZINC000006454061 170202524 /nfs/dbraw/zinc/20/25/24/170202524.db2.gz TVLIARLKZANUTH-UHFFFAOYSA-N -1 3 295.260 3.972 50 0 CHAAHM CC1(C)CCc2cc3c(cc2O1)o/c(=N/[O-])c1c3CCCC1 ZINC000009306340 170370941 /nfs/dbraw/zinc/37/09/41/170370941.db2.gz XDKNKAYEHWOIOJ-HTXNQAPBSA-N -1 3 299.370 3.705 50 0 CHAAHM O=C(Nc1ccccc1[O-])c1cccc(C(F)(F)F)c1 ZINC000009478281 170377808 /nfs/dbraw/zinc/37/78/08/170377808.db2.gz XAOGTUWNLPXZIM-UHFFFAOYSA-N -1 3 281.233 3.663 50 0 CHAAHM COc1ccc([C@@H]2C[C@@H]2C(=O)c2nc3ccccc3[n-]2)cc1 ZINC000009913679 170390655 /nfs/dbraw/zinc/39/06/55/170390655.db2.gz WWSLKYBYLDZCGQ-KBPBESRZSA-N -1 3 292.338 3.558 50 0 CHAAHM CC(C)(C)C1CCC(C(=O)Nc2ncccc2[O-])CC1 ZINC000021901784 171336499 /nfs/dbraw/zinc/33/64/99/171336499.db2.gz QWVHRUIXEOPZMS-UHFFFAOYSA-N -1 3 276.380 3.578 50 0 CHAAHM [O-]c1ccc(Cl)cc1-c1nc2cc(F)ccc2[nH]1 ZINC000037439972 173210602 /nfs/dbraw/zinc/21/06/02/173210602.db2.gz YGSKPYOLWPWBLM-UHFFFAOYSA-N -1 3 262.671 3.728 50 0 CHAAHM C[C@@H]1C[C@@H]1c1ccc(CCC(=O)[N-]OCc2ccccc2)o1 ZINC000040012763 174182486 /nfs/dbraw/zinc/18/24/86/174182486.db2.gz MITGEGVKAGHMIW-CJNGLKHVSA-N -1 3 299.370 3.584 50 0 CHAAHM COc1cccc(-c2noc([N-]c3ccc(C)cc3)n2)c1 ZINC000071928096 176302282 /nfs/dbraw/zinc/30/22/82/176302282.db2.gz MGTPAGSPESQBLB-UHFFFAOYSA-N -1 3 281.315 3.797 50 0 CHAAHM Cc1cccnc1[C@@H](NCc1ccc(C(=O)[O-])cc1)C(C)C ZINC000263559226 525549757 /nfs/dbraw/zinc/54/97/57/525549757.db2.gz ATVKULDQIAOGSL-INIZCTEOSA-N -1 3 298.386 3.575 50 0 CHAAHM Cc1ccc([O-])c(C(=O)N[C@@H](C)c2ccccc2C)c1 ZINC000012767452 566881539 /nfs/dbraw/zinc/88/15/39/566881539.db2.gz BSMWXTAWYRVTJZ-ZDUSSCGKSA-N -1 3 269.344 3.500 50 0 CHAAHM CC(C)[C@H]1SCC(=O)Nc2c1c(=O)[n-]n2C1CCCC1 ZINC000079494651 567123554 /nfs/dbraw/zinc/12/35/54/567123554.db2.gz SVROANMTKHMAIA-GFCCVEGCSA-N -1 3 295.408 3.736 50 0 CHAAHM CCCCc1nc(C)sc1C(=O)Nc1ccccc1[O-] ZINC000095472432 567136630 /nfs/dbraw/zinc/13/66/30/567136630.db2.gz ZPMGCVDEJDKXJR-UHFFFAOYSA-N -1 3 290.388 3.752 50 0 CHAAHM CCOc1ccc(NCc2ccc([O-])c3ncccc23)cc1 ZINC000004190086 567189050 /nfs/dbraw/zinc/18/90/50/567189050.db2.gz XIXMMIAXZQPUCX-UHFFFAOYSA-N -1 3 294.354 3.951 50 0 CHAAHM [O-]c1cccnc1Sc1cccc(C(F)(F)F)c1 ZINC000000481384 567832628 /nfs/dbraw/zinc/83/26/28/567832628.db2.gz VYSNJZIAYAHDLB-UHFFFAOYSA-N -1 3 271.263 3.957 50 0 CHAAHM Fc1ccc(-c2cc(C(F)(F)F)[n-]c(=S)n2)cc1 ZINC000012345077 567862651 /nfs/dbraw/zinc/86/26/51/567862651.db2.gz VYPMEUABZOCDBE-UHFFFAOYSA-N -1 3 274.242 3.590 50 0 CHAAHM CN(Cc1nc(=O)c2sccc2[n-]1)C1CCCCCC1 ZINC000014705182 567869526 /nfs/dbraw/zinc/86/95/26/567869526.db2.gz JQBJKTDUSCDVLW-UHFFFAOYSA-N -1 3 291.420 3.552 50 0 CHAAHM O=C(Nc1ccccc1[O-])c1ccc(OC(F)(F)F)cc1 ZINC000016483027 567873104 /nfs/dbraw/zinc/87/31/04/567873104.db2.gz MUJMRAHJYHWMQF-UHFFFAOYSA-N -1 3 297.232 3.543 50 0 CHAAHM Cc1ccc(NC(=S)N[C@H]2CCCC[C@@H]2C)c([O-])c1 ZINC000010751569 567881135 /nfs/dbraw/zinc/88/11/35/567881135.db2.gz JCMZNVZQFKKSKZ-RYUDHWBXSA-N -1 3 278.421 3.566 50 0 CHAAHM [O-]c1ccc(CNc2ccccc2F)c2cccnc12 ZINC000000075148 567907557 /nfs/dbraw/zinc/90/75/57/567907557.db2.gz IBWIAHQQJVGIDZ-UHFFFAOYSA-N -1 3 268.291 3.692 50 0 CHAAHM COC(=O)Nc1ccc(-c2cc(F)c(F)cc2[O-])cc1 ZINC000096137974 567909825 /nfs/dbraw/zinc/90/98/25/567909825.db2.gz ORQDFHUWMZCIBS-UHFFFAOYSA-N -1 3 279.242 3.516 50 0 CHAAHM S=c1[n-]c(N2CCc3ccccc3C2)nc2ccccc21 ZINC000044842031 570235785 /nfs/dbraw/zinc/23/57/85/570235785.db2.gz UNRQPTSXLISWFZ-UHFFFAOYSA-N -1 3 293.395 3.855 50 0 CHAAHM O=C(Nc1cc(F)ccc1F)Sc1ccc([O-])cc1 ZINC000000398444 570342887 /nfs/dbraw/zinc/34/28/87/570342887.db2.gz BQDQIVJVHXTTRC-UHFFFAOYSA-N -1 3 281.283 3.995 50 0 CHAAHM O=Cc1cc([O-])ccc1Sc1cc(F)cc(F)c1 ZINC000006220228 570349750 /nfs/dbraw/zinc/34/97/50/570349750.db2.gz WRKJBNGWIVKWCG-UHFFFAOYSA-N -1 3 266.268 3.634 50 0 CHAAHM O=C(Nc1ccccc1[O-])c1csc(-c2ccccc2)n1 ZINC000013005435 570354345 /nfs/dbraw/zinc/35/43/45/570354345.db2.gz CZODAUGHNQEXCX-UHFFFAOYSA-N -1 3 296.351 3.768 50 0 CHAAHM CC[C@@H](C)N(Cc1ccc(C(=O)[O-])cc1)Cc1cccnc1 ZINC000055183407 570393115 /nfs/dbraw/zinc/39/31/15/570393115.db2.gz HEDBNLIREWGWCP-CQSZACIVSA-N -1 3 298.386 3.581 50 0 CHAAHM Cc1cc(Nc2ccc(C(=O)[O-])cc2)c2cc([O-])ccc2[nH+]1 ZINC000039325603 570401196 /nfs/dbraw/zinc/40/11/96/570401196.db2.gz RKSGKAXQQNXNTI-UHFFFAOYSA-N -1 3 294.310 3.691 50 0 CHAAHM Cc1cc(Nc2ccc(C(=O)[O-])cc2)c2cc(O)ccc2n1 ZINC000039325603 570401198 /nfs/dbraw/zinc/40/11/98/570401198.db2.gz RKSGKAXQQNXNTI-UHFFFAOYSA-N -1 3 294.310 3.691 50 0 CHAAHM [O-]c1cc(O)ccc1-c1csc(-c2ccc(O)cc2)n1 ZINC000005770128 170138671 /nfs/dbraw/zinc/13/86/71/170138671.db2.gz YYUUZKUUGKNKBJ-UHFFFAOYSA-N -1 3 285.324 3.594 50 0 CHAAHM O=c1[n-]c(=S)[nH]c2c1[C@@H](C1CCCC1)Cc1ccccc1-2 ZINC000005819285 170143648 /nfs/dbraw/zinc/14/36/48/170143648.db2.gz MUNVOGVGJHJIBF-CYBMUJFWSA-N -1 3 298.411 3.929 50 0 CHAAHM CCc1ccc(S(=O)(=O)[N-]c2ccccc2CC)cc1 ZINC000008107505 170319377 /nfs/dbraw/zinc/31/93/77/170319377.db2.gz ZSJJJVGHDWZWFK-UHFFFAOYSA-N -1 3 289.400 3.612 50 0 CHAAHM Cc1ccc(NC(=O)CCCc2cccs2)c([O-])c1 ZINC000008378409 170333939 /nfs/dbraw/zinc/33/39/39/170333939.db2.gz PDHGIHVXIAXODB-UHFFFAOYSA-N -1 3 275.373 3.724 50 0 CHAAHM CSCc1ccc(C(=O)Nc2ccccc2[O-])cc1 ZINC000009885304 170388756 /nfs/dbraw/zinc/38/87/56/170388756.db2.gz MBCXVWVNSKIFLZ-UHFFFAOYSA-N -1 3 273.357 3.508 50 0 CHAAHM [O-]c1ccc(-c2noc(CCC3CCCC3)n2)cc1 ZINC000020432804 171197242 /nfs/dbraw/zinc/19/72/42/171197242.db2.gz UTDZVAATRIONED-UHFFFAOYSA-N -1 3 258.321 3.565 50 0 CHAAHM Cc1ccc([N-]c2nc(-c3ccccc3)no2)cc1 ZINC000071928062 176302159 /nfs/dbraw/zinc/30/21/59/176302159.db2.gz YFESGRSWAKBNLD-UHFFFAOYSA-N -1 3 251.289 3.789 50 0 CHAAHM Cc1ccc(C)c(-c2csc([N-]C(=O)c3ccno3)n2)c1 ZINC000010253823 329093595 /nfs/dbraw/zinc/09/35/95/329093595.db2.gz YTCBFCZZDRFLDJ-UHFFFAOYSA-N -1 3 299.355 3.667 50 0 CHAAHM O=C(NC1CCCCC1)c1ccc([O-])c2ccccc12 ZINC000000079216 335369912 /nfs/dbraw/zinc/36/99/12/335369912.db2.gz NZOFQNGIOKGOLY-UHFFFAOYSA-N -1 3 269.344 3.608 50 0 CHAAHM CCCCS[C@@H](C)C(=O)Nc1c(C)cccc1[O-] ZINC000179559319 528739601 /nfs/dbraw/zinc/73/96/01/528739601.db2.gz VOVFBWDZKCJLOU-NSHDSACASA-N -1 3 267.394 3.561 50 0 CHAAHM O=Cc1cccc(-c2ccc(C(F)(F)F)cc2)c1[O-] ZINC000065342032 567898523 /nfs/dbraw/zinc/89/85/23/567898523.db2.gz WADPPFMGFAJDQJ-UHFFFAOYSA-N -1 3 266.218 3.891 50 0 CHAAHM CC(C)c1nnc([N-]C(=O)c2cc(Cl)ccc2F)s1 ZINC000012781977 566887414 /nfs/dbraw/zinc/88/74/14/566887414.db2.gz MJIMLFBTMAXNKS-UHFFFAOYSA-N -1 3 299.758 3.706 50 0 CHAAHM Cc1nc(C(C)C)c(C(=O)Nc2ccccc2[O-])s1 ZINC000096231038 567141642 /nfs/dbraw/zinc/14/16/42/567141642.db2.gz IJYUNLRGXMIKEK-UHFFFAOYSA-N -1 3 276.361 3.533 50 0 CHAAHM CC[C@H](C(=O)Nc1ccccc1[O-])c1ccccc1 ZINC000000363593 567827143 /nfs/dbraw/zinc/82/71/43/567827143.db2.gz KQTZLQVRSIKEDW-ZDUSSCGKSA-N -1 3 255.317 3.525 50 0 CHAAHM Cc1ccc(-n2nc(-c3ccccc3)[n-]c2=S)cc1 ZINC000001464745 567837524 /nfs/dbraw/zinc/83/75/24/567837524.db2.gz PGUDBKNJNZPIJH-UHFFFAOYSA-N -1 3 267.357 3.905 50 0 CHAAHM CSc1ccccc1[N-]C(=O)c1cc(C2CC2)on1 ZINC000002497962 567846195 /nfs/dbraw/zinc/84/61/95/567846195.db2.gz NAAURHKJTVBGKK-UHFFFAOYSA-N -1 3 274.345 3.526 50 0 CHAAHM CCCC[C@H](CC)COC(=O)c1ccc([O-])cc1 ZINC000004655371 567858604 /nfs/dbraw/zinc/85/86/04/567858604.db2.gz VTIMKVIDORQQFA-LBPRGKRZSA-N -1 3 250.338 3.765 50 0 in-vitro CHAAHM Cc1ccc(NC(=O)c2cccc(Cl)c2)c([O-])c1 ZINC000004666470 567858958 /nfs/dbraw/zinc/85/89/58/567858958.db2.gz USIHMHVBJNPUEY-UHFFFAOYSA-N -1 3 261.708 3.606 50 0 CHAAHM Cc1oc2c(c1C)c(C)cc1o/c(=N/[O-])c3c(c21)CCC3 ZINC000013724147 567867641 /nfs/dbraw/zinc/86/76/41/567867641.db2.gz ZHYAILTXCARHPD-ISLYRVAYSA-N -1 3 283.327 3.883 50 0 CHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)c(C)c1 ZINC000032906644 567871337 /nfs/dbraw/zinc/87/13/37/567871337.db2.gz TZUNHNWMAJALDB-UHFFFAOYSA-N -1 3 293.363 3.552 50 0 CHAAHM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000016148113 567872175 /nfs/dbraw/zinc/87/21/75/567872175.db2.gz MXXPFMHTBCRQEP-UHFFFAOYSA-N -1 3 293.363 3.552 50 0 CHAAHM Cc1cccc(-c2nc(C)c(CCC(C)C)c(=O)[n-]2)c1 ZINC000018044207 567876245 /nfs/dbraw/zinc/87/62/45/567876245.db2.gz XUSWUVRAJILHNU-UHFFFAOYSA-N -1 3 270.376 3.642 50 0 CHAAHM Cc1noc(C)c1[N-]C(=O)c1cc2cc(Cl)ccc2o1 ZINC000058224316 567895941 /nfs/dbraw/zinc/89/59/41/567895941.db2.gz JAPKECACZQUVQX-UHFFFAOYSA-N -1 3 290.706 3.943 50 0 CHAAHM S=c1[n-]c(Cl)cc2cc(Br)ccc12 ZINC000095099984 567909086 /nfs/dbraw/zinc/90/90/86/567909086.db2.gz STGULXQNZHUWMS-UHFFFAOYSA-N -1 3 274.570 3.939 50 0 CHAAHM COc1ccc(-c2oncc2-c2ccccc2)c([O-])c1 ZINC000011865150 567928567 /nfs/dbraw/zinc/92/85/67/567928567.db2.gz SCTPSQZXBZIJKV-UHFFFAOYSA-N -1 3 267.284 3.723 50 0 CHAAHM Cc1ccc(NC(=O)c2cccc(C)c2[O-])c(C)c1 ZINC000019836819 567944913 /nfs/dbraw/zinc/94/49/13/567944913.db2.gz APPXKOXSHCQIDH-UHFFFAOYSA-N -1 3 255.317 3.570 50 0 CHAAHM CC[C@@H](C)N(Cc1ccsc1)Cc1nc(C)ccc1[O-] ZINC000055089810 570240590 /nfs/dbraw/zinc/24/05/90/570240590.db2.gz QLHNNFLAXNHTBU-CYBMUJFWSA-N -1 3 290.432 3.958 50 0 CHAAHM COc1ccc(-c2ccc([O-])cc2F)cc1Cl ZINC000065341048 570244057 /nfs/dbraw/zinc/24/40/57/570244057.db2.gz CHBWIKLYQAPALE-UHFFFAOYSA-N -1 3 252.672 3.860 50 0 CHAAHM CCc1ccc2ncc(C(=O)c3ccc(C)cc3)c([O-])c2c1 ZINC000067172444 570245921 /nfs/dbraw/zinc/24/59/21/570245921.db2.gz VIGICEGHCHJTGG-UHFFFAOYSA-N -1 3 291.350 3.630 50 0 CHAAHM Cc1ccc(NC(=O)c2ccc(F)cc2Cl)c([O-])c1 ZINC000033028973 570311439 /nfs/dbraw/zinc/31/14/39/570311439.db2.gz VUNHEURTODJCIR-UHFFFAOYSA-N -1 3 279.698 3.745 50 0 CHAAHM Cc1ccc(-c2n[nH]cc2C(=O)c2ccccc2C)c([O-])c1 ZINC000001247845 570331932 /nfs/dbraw/zinc/33/19/32/570331932.db2.gz PFYFDYAFQRNSSO-UHFFFAOYSA-N -1 3 292.338 3.630 50 0 CHAAHM O=C(/C=C\SCc1ccco1)Nc1cc(F)ccc1[O-] ZINC000221995549 1125762402 /nfs/dbraw/zinc/76/24/02/1125762402.db2.gz DSEZNPYSZUETQO-ALCCZGGFSA-N -1 3 293.319 3.510 50 0 CHAAHM [O-]c1cc(Cl)c(F)c(OCc2ccccc2)c1 ZINC000261494153 190039690 /nfs/dbraw/zinc/03/96/90/190039690.db2.gz RDAQJXOTIDUCLS-UHFFFAOYSA-N -1 3 252.672 3.764 50 0 CHAAHM Cc1cccc2cc(-c3nc4ccccc4[n-]3)c(=O)oc12 ZINC000004386461 169964195 /nfs/dbraw/zinc/96/41/95/169964195.db2.gz QWIIASMIESUKAV-UHFFFAOYSA-N -1 3 276.295 3.645 50 0 CHAAHM O=C(Nc1ccccc1)N1CCC(=S)[N-]c2ccccc21 ZINC000005175933 170073699 /nfs/dbraw/zinc/07/36/99/170073699.db2.gz PHGNEFRAUMYAQJ-UHFFFAOYSA-N -1 3 297.383 3.868 50 0 CHAAHM S=c1[n-]nc2scc(-c3ccc(Cl)cc3)n12 ZINC000035576534 172273210 /nfs/dbraw/zinc/27/32/10/172273210.db2.gz QSDOIJACNQRZKE-UHFFFAOYSA-N -1 3 267.766 3.774 50 0 CHAAHM CC1=Nc2c(c(=O)[n-]n2C(C)C)[C@@H](C(C)C)S1 ZINC000071288451 176110470 /nfs/dbraw/zinc/11/04/70/176110470.db2.gz HDTFBJOHCJVFAY-SNVBAGLBSA-N -1 3 253.371 3.663 50 0 CHAAHM CCc1ccc(-c2csc([N-]C(=O)c3ccno3)n2)cc1 ZINC000010253814 329093557 /nfs/dbraw/zinc/09/35/57/329093557.db2.gz SWHRPEPPIFHWKB-UHFFFAOYSA-N -1 3 299.355 3.613 50 0 CHAAHM CC[C@@H](N[C@@H](C)c1cc(F)c(Cl)cc1Cl)C(=O)[O-] ZINC000263566518 522910935 /nfs/dbraw/zinc/91/09/35/522910935.db2.gz GCTPMIZMJMIFIM-UPONEAKYSA-N -1 3 294.153 3.646 50 0 CHAAHM O=C(OCc1cccc(C(F)(F)F)c1)c1ccc([O-])cc1 ZINC000003278591 567168685 /nfs/dbraw/zinc/16/86/85/567168685.db2.gz GLTVFKSFLOLFLH-UHFFFAOYSA-N -1 3 296.244 3.768 50 0 CHAAHM Cc1ccc2ncc(C(=O)c3ccc(C)c(C)c3)c([O-])c2c1 ZINC000067340933 567197501 /nfs/dbraw/zinc/19/75/01/567197501.db2.gz KYWAHUWORIJZIB-UHFFFAOYSA-N -1 3 291.350 3.684 50 0 CHAAHM [O-]c1ccc(COCc2ccccc2)c2cccnc12 ZINC000000233302 567822324 /nfs/dbraw/zinc/82/23/24/567822324.db2.gz CXIAXDRSZAWSDB-UHFFFAOYSA-N -1 3 265.312 3.657 50 0 CHAAHM O=C([N-]c1ccon1)c1sc2cc(F)ccc2c1Cl ZINC000004197038 567855914 /nfs/dbraw/zinc/85/59/14/567855914.db2.gz UQSVQYOKOKYETM-UHFFFAOYSA-N -1 3 296.710 3.934 50 0 CHAAHM Cc1coc2c1cc1c3c(/c(=N\[O-])oc1c2C)CCCC3 ZINC000013628854 567866913 /nfs/dbraw/zinc/86/69/13/567866913.db2.gz UKNZPTNYJULQMZ-ISLYRVAYSA-N -1 3 283.327 3.965 50 0 CHAAHM Cc1c(Cl)cccc1NC(=O)c1cccc([O-])c1 ZINC000019838241 567879365 /nfs/dbraw/zinc/87/93/65/567879365.db2.gz MADKDESEMYMUEJ-UHFFFAOYSA-N -1 3 261.708 3.606 50 0 CHAAHM O=C(Nc1ccccc1[O-])C12CC3CC(CC(C3)C1)C2 ZINC000010860297 567881324 /nfs/dbraw/zinc/88/13/24/567881324.db2.gz AXXRXRYOFCVCGM-UHFFFAOYSA-N -1 3 271.360 3.547 50 0 CHAAHM O=c1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)[n-]1 ZINC000026779552 567883183 /nfs/dbraw/zinc/88/31/83/567883183.db2.gz QOWKAANWZRYSHF-UHFFFAOYSA-N -1 3 274.629 3.521 50 0 CHAAHM Cc1cccc([C@@H]2CCCN(C(=O)c3ccccc3[O-])C2)c1 ZINC000067965799 567901107 /nfs/dbraw/zinc/90/11/07/567901107.db2.gz IPICAKCUDZMLMV-MRXNPFEDSA-N -1 3 295.382 3.720 50 0 CHAAHM Cc1ccc2[nH]c([C@H](C)[N-]c3nnc(C4CCC4)o3)nc2c1 ZINC000095377858 567909506 /nfs/dbraw/zinc/90/95/06/567909506.db2.gz GXHQDTSRKIZKRF-JTQLQIEISA-N -1 3 297.362 3.695 50 0 CHAAHM Cc1ccc2nc([C@H](C)[N-]c3nnc(C4CCC4)o3)[nH]c2c1 ZINC000095377858 567909508 /nfs/dbraw/zinc/90/95/08/567909508.db2.gz GXHQDTSRKIZKRF-JTQLQIEISA-N -1 3 297.362 3.695 50 0 CHAAHM Cc1ccc2oc(-c3ccc(F)cc3)c([O-])c(=O)c2c1 ZINC000000115257 567923409 /nfs/dbraw/zinc/92/34/09/567923409.db2.gz DBTGGENNGACGPB-UHFFFAOYSA-N -1 3 270.259 3.613 50 0 CHAAHM O=c1oc2ccc(Cl)cc2cc1-c1nc2ccccc2[n-]1 ZINC000000195527 567925180 /nfs/dbraw/zinc/92/51/80/567925180.db2.gz SALMZXUHPJBGRH-UHFFFAOYSA-N -1 3 296.713 3.990 50 0 CHAAHM [O-]c1ccc(-c2nc(-c3ccccc3Cl)no2)cc1 ZINC000004673227 570247853 /nfs/dbraw/zinc/24/78/53/570247853.db2.gz DSEZMABEUIPDIM-UHFFFAOYSA-N -1 3 272.691 3.763 50 0 CHAAHM CC(C)(C)c1ccccc1OCC(=O)Nc1ccccc1[O-] ZINC000008908851 170358525 /nfs/dbraw/zinc/35/85/25/170358525.db2.gz JQMBOBFLHJPCFJ-UHFFFAOYSA-N -1 3 299.370 3.707 50 0 CHAAHM O=C(Cc1ccc(Cl)cc1Cl)Nc1ccccc1[O-] ZINC000009478199 170377842 /nfs/dbraw/zinc/37/78/42/170377842.db2.gz ADKLTJPLEMYEEU-UHFFFAOYSA-N -1 3 296.153 3.880 50 0 CHAAHM [O-]c1cccc2ccc(/C=C/c3ccc(O)cc3)nc12 ZINC000015016427 170654010 /nfs/dbraw/zinc/65/40/10/170654010.db2.gz YMSHSKJZBZKCOR-XBXARRHUSA-N -1 3 263.296 3.816 50 0 in-vivo CHAAHM COc1ccc(NC(=O)c2cc(C)ccc2[O-])cc1Cl ZINC000020561252 171251721 /nfs/dbraw/zinc/25/17/21/171251721.db2.gz CRSAYNOXTVBLRT-UHFFFAOYSA-N -1 3 291.734 3.615 50 0 CHAAHM CCC[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000020821191 171273768 /nfs/dbraw/zinc/27/37/68/171273768.db2.gz LVZKCDNWQMTKMV-MRXNPFEDSA-N -1 3 269.344 3.663 50 0 CHAAHM O=C(Nc1ccccc1[O-])c1ccc2c3c(cccc31)CC2 ZINC000022279395 171383382 /nfs/dbraw/zinc/38/33/82/171383382.db2.gz SGXRFMJCYKMNQW-UHFFFAOYSA-N -1 3 289.334 3.896 50 0 CHAAHM Nc1ccccc1-c1nnc([N-]c2ccc(Cl)cc2)o1 ZINC000035623062 172304118 /nfs/dbraw/zinc/30/41/18/172304118.db2.gz SQTGQAKBCFLHLE-UHFFFAOYSA-N -1 3 286.722 3.716 50 0 CHAAHM Cc1ccc2c(c1)oc(-c1ccc(F)cc1)c([O-])c2=O ZINC000012462627 566844913 /nfs/dbraw/zinc/84/49/13/566844913.db2.gz BKDAOYAYNINOED-UHFFFAOYSA-N -1 3 270.259 3.613 50 0 biogenic,in-vitro CHAAHM O=C(Nc1ccccc1[O-])c1cc(F)c(F)cc1Cl ZINC000012729192 566866557 /nfs/dbraw/zinc/86/65/57/566866557.db2.gz FIXXTEKECLROLC-UHFFFAOYSA-N -1 3 283.661 3.576 50 0 CHAAHM CSc1ccccc1[N-]C(=O)c1cc(F)ccc1F ZINC000016649099 566878545 /nfs/dbraw/zinc/87/85/45/566878545.db2.gz HVRRKOQLKYFVBQ-UHFFFAOYSA-N -1 3 279.311 3.939 50 0 CHAAHM CSc1ccc(C)c(C(=O)Nc2ccccc2[O-])c1 ZINC000012907592 566927442 /nfs/dbraw/zinc/92/74/42/566927442.db2.gz BMIAQVBVCZDMNI-UHFFFAOYSA-N -1 3 273.357 3.675 50 0 CHAAHM CSc1ccccc1C(=O)Nc1ccc(C)cc1[O-] ZINC000013022312 566960643 /nfs/dbraw/zinc/96/06/43/566960643.db2.gz PPGQMJIEXDGYGU-UHFFFAOYSA-N -1 3 273.357 3.675 50 0 CHAAHM Cc1cnc([N-]C(=O)c2cc(-c3ccc(C)cc3)no2)s1 ZINC000036391394 567001968 /nfs/dbraw/zinc/00/19/68/567001968.db2.gz UXGHHSFSNWXZFO-UHFFFAOYSA-N -1 3 299.355 3.667 50 0 CHAAHM Cc1ccc([N-]S(=O)(=O)c2ccccc2F)c(Cl)c1 ZINC000003322608 567168476 /nfs/dbraw/zinc/16/84/76/567168476.db2.gz OILMQZSPXUCKDT-UHFFFAOYSA-N -1 3 299.754 3.588 50 0 CHAAHM Cc1c(Cl)cccc1NC(=O)c1ccc([O-])cc1 ZINC000000148029 567820339 /nfs/dbraw/zinc/82/03/39/567820339.db2.gz FZFXXVMGGZWZTB-UHFFFAOYSA-N -1 3 261.708 3.606 50 0 CHAAHM CCCCCCc1cc2c(C)cc(=O)oc2cc1[O-] ZINC000002144721 567844876 /nfs/dbraw/zinc/84/48/76/567844876.db2.gz XYWUXVDEWJKWNX-UHFFFAOYSA-N -1 3 260.333 3.930 50 0 CHAAHM COc1ccc(-c2nc3ccccc3s2)c([O-])c1 ZINC000002584537 567848895 /nfs/dbraw/zinc/84/88/95/567848895.db2.gz KQUJPMLQKNTPCL-UHFFFAOYSA-N -1 3 257.314 3.678 50 0 CHAAHM O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccccc1[O-] ZINC000032719864 567866696 /nfs/dbraw/zinc/86/66/96/567866696.db2.gz DIFDZBOUDHNJEE-UHFFFAOYSA-N -1 3 296.153 3.880 50 0 CHAAHM C[C@H]1CCc2sc(C(=O)Nc3ccccc3[O-])cc2C1 ZINC000014180154 567868454 /nfs/dbraw/zinc/86/84/54/567868454.db2.gz BRVJKOFNZHQEFH-JTQLQIEISA-N -1 3 287.384 3.831 50 0 CHAAHM Cc1ccc(C)c(NC(=O)c2cc(-c3ccco3)[n-]n2)c1 ZINC000028262448 567883497 /nfs/dbraw/zinc/88/34/97/567883497.db2.gz OJAFWPSMYOJVPT-UHFFFAOYSA-N -1 3 281.315 3.539 50 0 CHAAHM Cc1ccc(C)c(NC(=O)c2cc(-c3ccco3)n[n-]2)c1 ZINC000028262448 567883499 /nfs/dbraw/zinc/88/34/99/567883499.db2.gz OJAFWPSMYOJVPT-UHFFFAOYSA-N -1 3 281.315 3.539 50 0 CHAAHM Cc1ccc(CNc2[n-]c(=S)nc3ccccc32)o1 ZINC000000425523 567930532 /nfs/dbraw/zinc/93/05/32/567930532.db2.gz CWIWHIRWCGSPJT-UHFFFAOYSA-N -1 3 271.345 3.806 50 0 CHAAHM CC[C@H](C)c1ccccc1OCC(=O)Nc1ccccc1[O-] ZINC000012851316 570341317 /nfs/dbraw/zinc/34/13/17/570341317.db2.gz CUUKNNUUJXKGSN-ZDUSSCGKSA-N -1 3 299.370 3.923 50 0 CHAAHM CN(CCCC1CCCC1)C(=O)c1cc([O-])ccc1F ZINC000584893712 570385602 /nfs/dbraw/zinc/38/56/02/570385602.db2.gz RIXKACXRNBPGSR-UHFFFAOYSA-N -1 3 279.355 3.574 50 0 CHAAHM CSCc1ccc(C(=O)Nc2ccc(C)cc2[O-])cc1 ZINC000000166222 169560342 /nfs/dbraw/zinc/56/03/42/169560342.db2.gz JSZHTHZRYQYAPD-UHFFFAOYSA-N -1 3 287.384 3.816 50 0 CHAAHM CCC(=O)Nc1cc(C)c([O-])c(-c2nc3ccccc3o2)c1 ZINC000004988450 170049532 /nfs/dbraw/zinc/04/95/32/170049532.db2.gz GCPANGHCUXXBLX-UHFFFAOYSA-N -1 3 296.326 3.857 50 0 CHAAHM Cc1ccc(NC(=O)c2ccc3c(c2)CCCC3)c([O-])c1 ZINC000008241623 170326585 /nfs/dbraw/zinc/32/65/85/170326585.db2.gz DYXZYWLPUQDQFT-UHFFFAOYSA-N -1 3 281.355 3.832 50 0 CHAAHM Cc1ccc(NC(=O)c2cccc(-n3cccc3)c2)c([O-])c1 ZINC000008726086 170350043 /nfs/dbraw/zinc/35/00/43/170350043.db2.gz 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