smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])C/C(=C\c1ccccc1F)c1nc2ccccc2o1 ZINC000005110239 1125784878 /nfs/dbraw/zinc/78/48/78/1125784878.db2.gz GWOKKKBIPDIAMI-FMIVXFBMSA-N -1 0 297.285 3.982 50 0 CHAARM O=C([N-]C(=O)c1ccc(Cl)cc1)Sc1ccccc1 ZINC000000108062 1118108877 /nfs/dbraw/zinc/10/88/77/1118108877.db2.gz MGRNUGAIMUEEHN-UHFFFAOYSA-N -1 0 291.759 3.982 50 0 CHAARM CC[C@@H]1CCCCC1N=Nc1ccc(C(=O)[O-])cc1 ZINC000254843795 1129714124 /nfs/dbraw/zinc/71/41/24/1129714124.db2.gz PFTLXNYDAPOZSP-LLVKDONJSA-N -1 0 260.337 3.753 50 0 CHAARM O=C(C[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000100449843 230391968 /nfs/dbraw/zinc/39/19/68/230391968.db2.gz COYXELRUTBMBIR-KLPPZKSPSA-N -1 0 280.751 3.804 50 0 CHAARM O=C(C=C([O-])c1ccc(Cl)cc1)c1ccccc1O ZINC000100351357 185713577 /nfs/dbraw/zinc/71/35/77/185713577.db2.gz GSKRVOHVQCUTJZ-UHFFFAOYSA-N -1 0 274.703 3.501 50 0 biogenic CHAARM Cc1nn(-c2ccccc2)c(-c2ccccc2)c1C(=O)[O-] ZINC000000264411 169591080 /nfs/dbraw/zinc/59/10/80/169591080.db2.gz ZHGSMGISRFOLHO-UHFFFAOYSA-N -1 0 278.311 3.546 50 0 CHAARM Cc1ccc(Cl)c(OCc2ccc(C(=O)[O-])cc2)c1 ZINC000002521411 169801554 /nfs/dbraw/zinc/80/15/54/169801554.db2.gz RQARZIDRPUAEMF-UHFFFAOYSA-N -1 0 276.719 3.926 50 0 CHAARM CCCCC[C@@H](C)OC(=O)c1ccccc1C(=O)[O-] ZINC000003080852 169853789 /nfs/dbraw/zinc/85/37/89/169853789.db2.gz NTIWNFLUZQSLDR-LLVKDONJSA-N -1 0 264.321 3.510 50 0 in-vitro CHAARM O=C([O-])c1ccc(CSc2ccc(F)cc2)cc1 ZINC000004723788 170006010 /nfs/dbraw/zinc/00/60/10/170006010.db2.gz CBHBLBLSQVYSFI-UHFFFAOYSA-N -1 0 262.305 3.816 50 0 CHAARM CC(C)[C@@H](OC(=O)c1ccccc1C(=O)[O-])C(C)(C)C ZINC000004824185 170023776 /nfs/dbraw/zinc/02/37/76/170023776.db2.gz VIWJUEVXVSSDMX-CYBMUJFWSA-N -1 0 278.348 3.612 50 0 CHAARM CCc1c(C)nc2ccc(C)cc2c1SCCC(=O)[O-] ZINC000004834644 170026508 /nfs/dbraw/zinc/02/65/08/170026508.db2.gz LKDZNWCCQLSKDX-UHFFFAOYSA-N -1 0 289.400 3.981 50 0 CHAARM CSc1ccccc1[N-]C(=O)c1onc(C)c1Cl ZINC000005006967 170054088 /nfs/dbraw/zinc/05/40/88/170054088.db2.gz VBMAOANNQDDIRB-UHFFFAOYSA-N -1 0 282.752 3.611 50 0 CHAARM O=c1cc([O-])c2sc3nc(-c4ccccc4)ccc3c2[nH]1 ZINC000005687438 170129445 /nfs/dbraw/zinc/12/94/45/170129445.db2.gz QZEAWIOWNZQMHW-UHFFFAOYSA-N -1 0 294.335 3.923 50 0 CHAARM O=c1c2ccc([O-])cc2occ1-c1ccccc1Cl ZINC000005731332 170134482 /nfs/dbraw/zinc/13/44/82/170134482.db2.gz YMZAYLQBCODNGT-UHFFFAOYSA-N -1 0 272.687 3.819 50 0 biogenic CHAARM S=c1[n-]nc(SCc2ccccc2Cl)s1 ZINC000005731314 170134531 /nfs/dbraw/zinc/13/45/31/170134531.db2.gz BFPAFAVRAFFYQK-UHFFFAOYSA-N -1 0 274.823 3.773 50 0 CHAARM O=C([O-])c1ccc(OCc2ccccc2Cl)cc1 ZINC000005998389 170166517 /nfs/dbraw/zinc/16/65/17/170166517.db2.gz LPILWQCXDRPDBT-UHFFFAOYSA-N -1 0 262.692 3.617 50 0 CHAARM COc1ccc(-c2c(C)oc3c(C)c([O-])ccc3c2=O)cc1 ZINC000006383544 170196661 /nfs/dbraw/zinc/19/66/61/170196661.db2.gz FFIZRCKNCPPQNH-UHFFFAOYSA-N -1 0 296.322 3.791 50 0 biogenic CHAARM CCCCc1c([O-])c2ccc(Cl)c(Cl)c2[nH]c1=O ZINC000006693637 170226605 /nfs/dbraw/zinc/22/66/05/170226605.db2.gz CMJGPMDTTJSXAB-UHFFFAOYSA-N -1 0 286.158 3.883 50 0 CHAARM COc1ccc(Cl)cc1Nc1nc(C)c(C(=O)[O-])s1 ZINC000008024632 170314405 /nfs/dbraw/zinc/31/44/05/170314405.db2.gz QJHZFBQQRIBOMW-UHFFFAOYSA-N -1 0 298.751 3.555 50 0 CHAARM Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1Cc1ccccc1 ZINC000009052072 170362703 /nfs/dbraw/zinc/36/27/03/170362703.db2.gz MWHFPORMWDFMBB-UHFFFAOYSA-N -1 0 298.773 3.718 50 0 CHAARM O=C([O-])c1ccc(COc2ccccc2Cl)s1 ZINC000012357616 170478614 /nfs/dbraw/zinc/47/86/14/170478614.db2.gz SCSSNUATFREOIW-UHFFFAOYSA-N -1 0 268.721 3.679 50 0 CHAARM O=C([O-])c1ccc(Oc2cccc(C(F)(F)F)n2)cc1 ZINC000020357722 171157569 /nfs/dbraw/zinc/15/75/69/171157569.db2.gz PSSVTMMIPLAXFT-UHFFFAOYSA-N -1 0 283.205 3.591 50 0 CHAARM Cc1cccc2c(C(=O)[O-])cc(-c3ccc(O)cc3)nc12 ZINC000020418374 171183801 /nfs/dbraw/zinc/18/38/01/171183801.db2.gz QDIMNIHQSBGSCT-UHFFFAOYSA-N -1 0 279.295 3.614 50 0 CHAARM O=C([O-])C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000020429461 171194641 /nfs/dbraw/zinc/19/46/41/171194641.db2.gz SPIKZYQFSGJPKL-UHFFFAOYSA-N -1 0 272.266 3.992 50 0 CHAARM O=C([O-])c1cn(CC2CCCCC2)c2ccccc12 ZINC000020567036 171255086 /nfs/dbraw/zinc/25/50/86/171255086.db2.gz DKZXRWRMQWNXFR-UHFFFAOYSA-N -1 0 257.333 3.920 50 0 in-vitro CHAARM COc1ccccc1Nc1ncc(C(=O)[O-])c2ccccc12 ZINC000021365249 171303748 /nfs/dbraw/zinc/30/37/48/171303748.db2.gz BMDHYAYETCZWLC-UHFFFAOYSA-N -1 0 294.310 3.685 50 0 CHAARM O=C([O-])c1ccc(-c2ccccc2OC(F)(F)F)cc1 ZINC000021950518 171339266 /nfs/dbraw/zinc/33/92/66/171339266.db2.gz HGPCXWLAFDSXQE-UHFFFAOYSA-N -1 0 282.217 3.950 50 0 CHAARM O=C([O-])c1cncc(-c2ccc(Cl)c(Cl)c2)c1 ZINC000021951017 171339809 /nfs/dbraw/zinc/33/98/09/171339809.db2.gz ZZEBDRFZANYEQB-UHFFFAOYSA-N -1 0 268.099 3.754 50 0 CHAARM CCCc1nn(-c2ccccc2C)c(C(C)C)c1C(=O)[O-] ZINC000035961380 172425540 /nfs/dbraw/zinc/42/55/40/172425540.db2.gz CBAVOJHVQAOFHX-UHFFFAOYSA-N -1 0 286.375 3.955 50 0 CHAARM O=C([O-])[C@@H](Sc1cc(F)ccc1F)c1ccccc1 ZINC000037374901 173164506 /nfs/dbraw/zinc/16/45/06/173164506.db2.gz NCFXQYTZUMZZCR-ZDUSSCGKSA-N -1 0 280.295 3.883 50 0 CHAARM Cc1nc(Cc2ccc(F)cc2Cl)sc1C(=O)[O-] ZINC000037408019 173183437 /nfs/dbraw/zinc/18/34/37/173183437.db2.gz FRSGJOXREOPAOM-UHFFFAOYSA-N -1 0 285.727 3.533 50 0 CHAARM O=C([O-])c1cc(-c2ccc(Cl)cc2)ccc1F ZINC000038068112 174080025 /nfs/dbraw/zinc/08/00/25/174080025.db2.gz XFDPZBMURWRFGE-UHFFFAOYSA-N -1 0 250.656 3.844 50 0 CHAARM Nc1n[n-]c(=S)n1-c1ccc(C2CC2)c2ccccc21 ZINC000040435315 174261511 /nfs/dbraw/zinc/26/15/11/174261511.db2.gz VHPOGQZYQNLNNN-UHFFFAOYSA-N -1 0 282.372 3.543 50 0 CHAARM O=C([O-])c1c[nH]nc1-c1ccc(Oc2ccccc2)cc1 ZINC000071630787 176236809 /nfs/dbraw/zinc/23/68/09/176236809.db2.gz AQHZPWDDTYWQTG-UHFFFAOYSA-N -1 0 280.283 3.567 50 0 CHAARM CS(=O)(=O)[N-]c1cc(Cl)ccc1Oc1ccccc1 ZINC000000610677 326792668 /nfs/dbraw/zinc/79/26/68/326792668.db2.gz GZIRUZRHOISJLG-UHFFFAOYSA-N -1 0 297.763 3.504 50 0 CHAARM CCN(CC)SC(=S)C=C([O-])c1ccccc1 ZINC000239563236 566825227 /nfs/dbraw/zinc/82/52/27/566825227.db2.gz ZEJUNKLXANOMGC-UHFFFAOYSA-N -1 0 267.419 3.577 50 0 CHAARM CCSc1nnc(C=Cc2ccc(Cl)cc2)c(=O)[n-]1 ZINC000075260246 566938156 /nfs/dbraw/zinc/93/81/56/566938156.db2.gz HBZSMIAZGFVIPK-VMPITWQZSA-N -1 0 293.779 3.513 50 0 CHAARM O=C([O-])c1cc2cc(-c3ccc(Cl)cc3)ccc2[nH]c1=O ZINC000170623620 567016221 /nfs/dbraw/zinc/01/62/21/567016221.db2.gz AFELSTARFAKEGN-UHFFFAOYSA-N -1 0 299.713 3.547 50 0 CHAARM Cc1ccc(C(C)C)c(OCc2ccc(C(=O)[O-])o2)c1 ZINC000000133416 567819702 /nfs/dbraw/zinc/81/97/02/567819702.db2.gz FQHIFXZRIGVLRX-UHFFFAOYSA-N -1 0 274.316 3.989 50 0 biogenic CHAARM Cc1ccc(Oc2ccccc2/C=C/C(=O)[O-])cc1 ZINC000000167661 567820982 /nfs/dbraw/zinc/82/09/82/567820982.db2.gz PXNQHBBTUXRJAP-DHZHZOJOSA-N -1 0 254.285 3.885 50 0 CHAARM O=C([O-])Cc1cn(Cc2cccc(Cl)c2)c2ccccc12 ZINC000000170003 567821500 /nfs/dbraw/zinc/82/15/00/567821500.db2.gz BMZCMTIGPMYJKO-UHFFFAOYSA-N -1 0 299.757 3.970 50 0 in-vitro CHAARM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cccs1 ZINC000000378909 567827912 /nfs/dbraw/zinc/82/79/12/567827912.db2.gz GCLGQPXRMYSZAZ-UHFFFAOYSA-N -1 0 287.793 3.511 50 0 CHAARM O=C([O-])Cc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000000390529 567828555 /nfs/dbraw/zinc/82/85/55/567828555.db2.gz DFHBBMJTBBLQSA-UHFFFAOYSA-N -1 0 276.719 3.546 50 0 CHAARM Cc1cc(C(=O)c2ccccc2C(=O)[O-])ccc1Cl ZINC000000440146 567830420 /nfs/dbraw/zinc/83/04/20/567830420.db2.gz XNHZUUJHQSXXIJ-UHFFFAOYSA-N -1 0 274.703 3.578 50 0 CHAARM Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)[O-])o1 ZINC000000445276 567830541 /nfs/dbraw/zinc/83/05/41/567830541.db2.gz AIFVXBUWNSFCAJ-CSKARUKUSA-N -1 0 294.310 3.539 50 0 CHAARM O=C([O-])COc1ccc(Cl)cc1C1CCCCC1 ZINC000001628222 567839617 /nfs/dbraw/zinc/83/96/17/567839617.db2.gz OGVODSDQXYUSDP-UHFFFAOYSA-N -1 0 268.740 3.851 50 0 in-vivo CHAARM CC(C)(C)CC(C)(C)c1ccc(O)c(C(=O)[O-])c1 ZINC000002163662 567844844 /nfs/dbraw/zinc/84/48/44/567844844.db2.gz MFSJUURIAOOSJR-UHFFFAOYSA-N -1 0 250.338 3.804 50 0 CHAARM O=C([O-])c1cc(-c2ccncc2)nc2c(Cl)cccc12 ZINC000002521455 567847486 /nfs/dbraw/zinc/84/74/86/567847486.db2.gz MAIRAKWMTLFTER-UHFFFAOYSA-N -1 0 284.702 3.648 50 0 CHAARM Cc1ccc(C)c(OCc2cccc(C(=O)[O-])c2)c1 ZINC000002521418 567847535 /nfs/dbraw/zinc/84/75/35/567847535.db2.gz ITFXKOJEFYEIJC-UHFFFAOYSA-N -1 0 256.301 3.581 50 0 CHAARM O=C([O-])c1csc(Nc2ccc(Cl)cc2Cl)n1 ZINC000002528920 567847680 /nfs/dbraw/zinc/84/76/80/567847680.db2.gz VNHCBUKRBYDTBA-UHFFFAOYSA-N -1 0 289.143 3.892 50 0 CHAARM Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)[O-])cc12 ZINC000003180205 567852090 /nfs/dbraw/zinc/85/20/90/567852090.db2.gz RBMBWNXBCRAGPO-UHFFFAOYSA-N -1 0 292.747 3.747 50 0 CHAARM O=C([O-])Cc1ccc(NCc2ccccc2Cl)cc1 ZINC000004636460 567858505 /nfs/dbraw/zinc/85/85/05/567858505.db2.gz VXRROBCBHWAZEM-UHFFFAOYSA-N -1 0 275.735 3.579 50 0 CHAARM Cc1cc(N2CCCC[C@@H]2C)nc(-c2ccccc2[O-])n1 ZINC000013121768 567864963 /nfs/dbraw/zinc/86/49/63/567864963.db2.gz FMZBBVHDLZXBKP-ZDUSSCGKSA-N -1 0 283.375 3.536 50 0 CHAARM Cc1ccc(SCc2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC000013611606 567866612 /nfs/dbraw/zinc/86/66/12/567866612.db2.gz YMWUUTVEBVQQTL-UHFFFAOYSA-N -1 0 296.395 3.766 50 0 CHAARM O=C([O-])c1c(-c2ccccc2)coc1C(F)(F)F ZINC000075696199 567870425 /nfs/dbraw/zinc/87/04/25/567870425.db2.gz DJVUWVMXVOXYTK-UHFFFAOYSA-N -1 0 256.179 3.664 50 0 CHAARM O=C([O-])c1csc(Nc2cccc(C(F)(F)F)c2)n1 ZINC000033507833 567886663 /nfs/dbraw/zinc/88/66/63/567886663.db2.gz GBFOFKLNZUYKJG-UHFFFAOYSA-N -1 0 288.250 3.604 50 0 CHAARM Cc1ccc(C(=O)C=C([O-])c2ccc(Cl)cc2)c(O)c1 ZINC000100489383 567888622 /nfs/dbraw/zinc/88/86/22/567888622.db2.gz QUHUQPIPCRWUEQ-UHFFFAOYSA-N -1 0 288.730 3.810 50 0 CHAARM C[C@H](CC(=O)[O-])CC(=O)c1cccc2ccccc21 ZINC000043214220 567892265 /nfs/dbraw/zinc/89/22/65/567892265.db2.gz QGZMTTKGJGSGSJ-NSHDSACASA-N -1 0 256.301 3.523 50 0 CHAARM Cc1cccc(Cn2c3ccccc3c(C=O)c2C(=O)[O-])c1 ZINC000004636229 567897009 /nfs/dbraw/zinc/89/70/09/567897009.db2.gz LWRVYEWKQZHHBH-UHFFFAOYSA-N -1 0 293.322 3.509 50 0 CHAARM COc1cc(OC)cc(-c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000065353933 567898692 /nfs/dbraw/zinc/89/86/92/567898692.db2.gz VYJUVLGBBUTPNA-UHFFFAOYSA-N -1 0 292.718 3.722 50 0 CHAARM [O-]c1ccc(-c2nc(-c3cccs3)no2)cc1Cl ZINC000097212431 567905752 /nfs/dbraw/zinc/90/57/52/567905752.db2.gz YZWDMCNHAJAGPV-UHFFFAOYSA-N -1 0 278.720 3.824 50 0 CHAARM O=c1cc(-c2ccc(Cl)cc2)[n-]n1-c1ccccc1 ZINC000100070108 567911335 /nfs/dbraw/zinc/91/13/35/567911335.db2.gz BMYYACBMCIIUKF-UHFFFAOYSA-N -1 0 270.719 3.898 50 0 CHAARM O=C([O-])c1ccc(-c2cnc(-c3ccc(O)cc3)s2)cc1 ZINC000072233663 567922773 /nfs/dbraw/zinc/92/27/73/567922773.db2.gz DVOVZXZESNOCDB-UHFFFAOYSA-N -1 0 297.335 3.881 50 0 CHAARM O=C([O-])[C@H](Sc1ncnc2ccccc21)c1ccccc1 ZINC000000155572 567923799 /nfs/dbraw/zinc/92/37/99/567923799.db2.gz JAAJTNCVCJSTHK-CQSZACIVSA-N -1 0 296.351 3.548 50 0 CHAARM CC(C)(C)C[C@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)[O-] ZINC000221032092 567925605 /nfs/dbraw/zinc/92/56/05/567925605.db2.gz FXZCTBCVFGPHRI-NEPJUHHUSA-N -1 0 299.411 3.523 50 0 CHAARM CCC(CC)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)[O-] ZINC000221031680 567925756 /nfs/dbraw/zinc/92/57/56/567925756.db2.gz XWSNHYHGZYOUTP-STQMWFEESA-N -1 0 299.411 3.523 50 0 CHAARM Cc1cccc(O[C@@H](C(=O)[O-])c2ccccc2)c1C ZINC000011802686 567928321 /nfs/dbraw/zinc/92/83/21/567928321.db2.gz NCJUMOCHHRWLKH-OAHLLOKOSA-N -1 0 256.301 3.508 50 0 CHAARM C[C@@H]1CCCC[C@H]1n1c(=O)c2ccccc2[n-]c1=S ZINC000000425225 567930386 /nfs/dbraw/zinc/93/03/86/567930386.db2.gz LWNRFDYFXURUJL-ZWNOBZJWSA-N -1 0 274.389 3.810 50 0 CHAARM CC(C)[C@@H]1CC[C@@H](C)C(=C([O-])c2ccccc2)C1=O ZINC000034543583 567940747 /nfs/dbraw/zinc/94/07/47/567940747.db2.gz VPTKSNILIUZETI-VHDGCEQUSA-N -1 0 258.361 3.757 50 0 CHAARM COc1cccc(C(=O)[O-])c1OCc1cccc(Cl)c1 ZINC000011797392 570220560 /nfs/dbraw/zinc/22/05/60/570220560.db2.gz JXIOGMZHKWYEMZ-UHFFFAOYSA-N -1 0 292.718 3.626 50 0 CHAARM O=C([O-])c1cccc(-c2nc(-c3cscn3)cs2)c1 ZINC000159272101 570303822 /nfs/dbraw/zinc/30/38/22/570303822.db2.gz BYEWVXQGMIPLLG-UHFFFAOYSA-N -1 0 288.353 3.632 50 0 CHAARM O=C([O-])c1c(-c2sccc2Cl)noc1C(F)F ZINC000675057566 570364819 /nfs/dbraw/zinc/36/48/19/570364819.db2.gz JEOKYXHSXAFZIL-UHFFFAOYSA-N -1 0 279.651 3.692 50 0 CHAARM CC(C)c1onc(-c2sccc2Cl)c1C(=O)[O-] ZINC000675058281 570365423 /nfs/dbraw/zinc/36/54/23/570365423.db2.gz ZPSAXRQWMXNPNB-UHFFFAOYSA-N -1 0 271.725 3.878 50 0 CHAARM CCCCC[C@H](C(=O)[O-])[C@H](C)CC(=O)NC1CCCCC1 ZINC000002227721 1122788996 /nfs/dbraw/zinc/78/89/96/1122788996.db2.gz DDWWBWGWCOFFDU-HIFRSBDPSA-N -1 0 297.439 3.743 50 0 CHAARM S=c1[n-]nc(C[C@H](Cc2ccccc2)c2ccco2)o1 ZINC000524734430 1126793004 /nfs/dbraw/zinc/79/30/04/1126793004.db2.gz DRKYHPUEROSQJR-LBPRGKRZSA-N -1 0 286.356 3.520 50 0 CHAARM Cc1ccccc1CC[C@H](C(=O)[O-])c1ccccc1 ZINC000134176997 1118418288 /nfs/dbraw/zinc/41/82/88/1118418288.db2.gz IZFSNBYITMFEKH-INIZCTEOSA-N -1 0 254.329 3.796 50 0 CHAARM O=C(c1ccccc1)c1cc(Br)cc(F)c1[O-] ZINC000052068480 1119282041 /nfs/dbraw/zinc/28/20/41/1119282041.db2.gz HZFXSQUUSKSFSF-UHFFFAOYSA-N -1 0 295.107 3.525 50 0 CHAARM CCC[C@@H](CCC(=O)Nc1ccccc1Cl)C(=O)[O-] ZINC000002375135 1120273208 /nfs/dbraw/zinc/27/32/08/1120273208.db2.gz YWVNKUQFMDBZNW-JTQLQIEISA-N -1 0 283.755 3.560 50 0 CHAARM Cc1cc(Nc2ccccc2)nc(-c2ccccc2[O-])n1 ZINC000013126420 1129832244 /nfs/dbraw/zinc/83/22/44/1129832244.db2.gz HPGRFECGZABYSQ-UHFFFAOYSA-N -1 0 277.327 3.901 50 0 CHAARM O=C([O-])Cc1csc(-c2c(Cl)cccc2Cl)n1 ZINC000002661398 169819347 /nfs/dbraw/zinc/81/93/47/169819347.db2.gz VOHNVMFAUGANIH-UHFFFAOYSA-N -1 0 288.155 3.744 50 0 CHAARM CC1=C(C)[C@]2(C)C(C(=O)[O-])=C(c3ccccc3)[C@]12C ZINC000108639250 186224787 /nfs/dbraw/zinc/22/47/87/186224787.db2.gz DABIWKRIIJBOLR-DLBZAZTESA-N -1 0 254.329 3.901 50 0 CHAARM CC(C)c1cccc(C(C)C)c1NC(=O)/C=C/C(=O)[O-] ZINC000000098237 169535241 /nfs/dbraw/zinc/53/52/41/169535241.db2.gz SUNFYLKCWYHKGX-CMDGGOBGSA-N -1 0 275.348 3.513 50 0 CHAARM Cc1cc(C)cc(NC(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000000151377 169555542 /nfs/dbraw/zinc/55/55/42/169555542.db2.gz CSMXTXWIIYBJEO-UHFFFAOYSA-N -1 0 284.315 3.646 50 0 CHAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1cccc2ccccc21 ZINC000000341414 169611770 /nfs/dbraw/zinc/61/17/70/169611770.db2.gz IJHXQOHCEWIYQS-CABCVRRESA-N -1 0 297.354 3.669 50 0 CHAARM O=C([O-])CCC(=O)c1ccc2c(c1)Nc1ccccc1S2 ZINC000071772889 184576243 /nfs/dbraw/zinc/57/62/43/184576243.db2.gz HNVDRTRSANNZHB-UHFFFAOYSA-N -1 0 299.351 3.942 50 0 CHAARM O=C([O-])c1c(Cl)n(-c2ccccc2)nc1-c1ccccc1 ZINC000000500181 169657328 /nfs/dbraw/zinc/65/73/28/169657328.db2.gz FRAWYXMTLYEBLX-UHFFFAOYSA-N -1 0 298.729 3.891 50 0 CHAARM CCc1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000002389254 169790202 /nfs/dbraw/zinc/79/02/02/169790202.db2.gz IMLWGYVDZQECIP-UHFFFAOYSA-N -1 0 256.301 3.526 50 0 CHAARM Cc1c(-c2ccc(O)cc2)nc2ccccc2c1C(=O)[O-] ZINC000003883714 169919730 /nfs/dbraw/zinc/91/97/30/169919730.db2.gz XYOWIELPRZDONS-UHFFFAOYSA-N -1 0 279.295 3.614 50 0 CHAARM Cc1cc2ccc1CCc1ccc(cc1C(=O)[O-])CC2 ZINC000004795438 170018751 /nfs/dbraw/zinc/01/87/51/170018751.db2.gz ALLSIMIDXSICOD-UHFFFAOYSA-N -1 0 266.340 3.577 50 0 CHAARM O=C([O-])c1cc(-c2ccc(F)cc2)nc2ccc(F)cc21 ZINC000005007308 170054374 /nfs/dbraw/zinc/05/43/74/170054374.db2.gz DLTHWCUZIHGUBY-UHFFFAOYSA-N -1 0 285.249 3.878 50 0 CHAARM CCc1ccc([C@H](C)OC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000005045464 170060514 /nfs/dbraw/zinc/06/05/14/170060514.db2.gz PLYOFYDFIQEUKM-LBPRGKRZSA-N -1 0 298.338 3.865 50 0 CHAARM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(Cl)cc1 ZINC000005049927 170061359 /nfs/dbraw/zinc/06/13/59/170061359.db2.gz SEMAYEWALRDZLS-UHFFFAOYSA-N -1 0 289.718 3.599 50 0 CHAARM CC1(C)C[C@@](CC(=O)[O-])(c2ccc(Cl)cc2)CCO1 ZINC000005419050 170097294 /nfs/dbraw/zinc/09/72/94/170097294.db2.gz YNABYQNSRTUFHW-OAHLLOKOSA-N -1 0 282.767 3.642 50 0 CHAARM Cc1oc2cc([O-])ccc2c(=O)c1-c1ccc(F)cc1 ZINC000005730182 170134666 /nfs/dbraw/zinc/13/46/66/170134666.db2.gz HGKUOYYHCHOYOJ-UHFFFAOYSA-N -1 0 270.259 3.613 50 0 CHAARM CCCCc1c([O-])c2cc(Cl)c(Cl)cc2[nH]c1=O ZINC000005807080 170141460 /nfs/dbraw/zinc/14/14/60/170141460.db2.gz HPKKSTXALNKAOB-UHFFFAOYSA-N -1 0 286.158 3.883 50 0 CHAARM CCCCCCOc1ccc(CCC(=O)[O-])cc1 ZINC000005820373 170144088 /nfs/dbraw/zinc/14/40/88/170144088.db2.gz XSLSHDVWFGILIQ-UHFFFAOYSA-N -1 0 250.338 3.663 50 0 CHAARM Cc1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1F ZINC000006559129 170213386 /nfs/dbraw/zinc/21/33/86/170213386.db2.gz ALOSNWDRANRJMR-UHFFFAOYSA-N -1 0 299.754 3.588 50 0 CHAARM CC(C)(C)Cc1ccc(C(=O)[O-])cc1Br ZINC000007023291 170262887 /nfs/dbraw/zinc/26/28/87/170262887.db2.gz FEYUKVMKKNDQMU-UHFFFAOYSA-N -1 0 271.154 3.736 50 0 CHAARM COc1ccc(C(C)(C)c2ccc(C(=O)[O-])cc2)cc1 ZINC000009195331 170366337 /nfs/dbraw/zinc/36/63/37/170366337.db2.gz JBLPGSOEBQSFLJ-UHFFFAOYSA-N -1 0 270.328 3.719 50 0 CHAARM O=C([O-])c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000016678747 170708738 /nfs/dbraw/zinc/70/87/38/170708738.db2.gz BAMRISRVXZTIMQ-UHFFFAOYSA-N -1 0 274.128 3.815 50 0 CHAARM Cc1onc(-c2ccc(Cl)c(Cl)c2)c1C(=O)[O-] ZINC000019948269 170937889 /nfs/dbraw/zinc/93/78/89/170937889.db2.gz HLVRVBVLMZNXMA-UHFFFAOYSA-N -1 0 272.087 3.655 50 0 CHAARM O=C([O-])C1(c2ccc(Cl)cc2Cl)CCCC1 ZINC000020429447 171194665 /nfs/dbraw/zinc/19/46/65/171194665.db2.gz CJVNUENSNUSROF-UHFFFAOYSA-N -1 0 259.132 3.890 50 0 CHAARM CC1(C)Cc2cc(C(=O)[O-])sc2-c2ccccc21 ZINC000020525723 171238579 /nfs/dbraw/zinc/23/85/79/171238579.db2.gz PTOBLWZWMMBLGH-UHFFFAOYSA-N -1 0 258.342 3.947 50 0 CHAARM O=C([O-])Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000026544387 171491475 /nfs/dbraw/zinc/49/14/75/171491475.db2.gz DHTATVFNFJNQCP-UHFFFAOYSA-N -1 0 280.245 4.000 50 0 CHAARM O=C([O-])Cc1cccc2c(-c3ccccc3)coc21 ZINC000033506656 171808658 /nfs/dbraw/zinc/80/86/58/171808658.db2.gz UXHWTRBSFSFBJR-UHFFFAOYSA-N -1 0 252.269 3.727 50 0 CHAARM O=C([O-])[C@@H]1CCCN1Cc1sc2ccccc2c1Cl ZINC000035303586 172117909 /nfs/dbraw/zinc/11/79/09/172117909.db2.gz CMSFHUJUADFAIG-JTQLQIEISA-N -1 0 295.791 3.604 50 0 CHAARM O=C([O-])c1cccc(CSc2cc(F)ccc2F)c1 ZINC000037374905 173164746 /nfs/dbraw/zinc/16/47/46/173164746.db2.gz RWVVSLYNWJZWFZ-UHFFFAOYSA-N -1 0 280.295 3.955 50 0 CHAARM O=C([O-])c1cc(Cl)ccc1Oc1ccc(F)cc1 ZINC000038342407 174140383 /nfs/dbraw/zinc/14/03/83/174140383.db2.gz MTUBNWMHXHNBLO-UHFFFAOYSA-N -1 0 266.655 3.970 50 0 CHAARM CC1(C)[C@H]2CC[C@]1(C)C(=O)C2=C([O-])c1ccccc1 ZINC000039738103 174172063 /nfs/dbraw/zinc/17/20/63/174172063.db2.gz IVDVAMTYPIOUEQ-GDZNZVCISA-N -1 0 256.345 3.511 50 0 CHAARM O=C([O-])c1c[nH]nc1-c1ccc(C2CCCCC2)cc1 ZINC000071608860 176231038 /nfs/dbraw/zinc/23/10/38/176231038.db2.gz BSKMKIVEKLGUJW-UHFFFAOYSA-N -1 0 270.332 3.823 50 0 CHAARM O=C([O-])/C=C\c1ccc(-c2ccc(Br)cc2)o1 ZINC000006225457 261368117 /nfs/dbraw/zinc/36/81/17/261368117.db2.gz UWJPYZVCZQFJDI-VURMDHGXSA-N -1 0 293.116 3.807 50 0 CHAARM CC(C)(C)C[C@H](NC1CCC(C(=O)[O-])CC1)C(F)(F)F ZINC000263426203 330055277 /nfs/dbraw/zinc/05/52/77/330055277.db2.gz QOFKMPBVCIXTNK-ILDUYXDCSA-N -1 0 295.345 3.587 50 0 CHAARM O=C([O-])c1ccc(C(F)(F)F)nc1-c1ccc(F)cc1 ZINC000047205267 566889331 /nfs/dbraw/zinc/88/93/31/566889331.db2.gz FGNOELNLDTWUIO-UHFFFAOYSA-N -1 0 285.196 3.605 50 0 CHAARM O=C([O-])c1ccccc1C(=O)c1cc(Cl)cc(Cl)c1 ZINC000000129351 567044542 /nfs/dbraw/zinc/04/45/42/567044542.db2.gz CNMVQTOUNYRKDW-UHFFFAOYSA-N -1 0 295.121 3.923 50 0 CHAARM CC(C)CCn1c(=O)c2cc(Cl)ccc2[n-]c1=S ZINC000000425305 567073403 /nfs/dbraw/zinc/07/34/03/567073403.db2.gz VSZBANBWVSBDNW-UHFFFAOYSA-N -1 0 282.796 3.759 50 0 CHAARM COc1ccc(-c2cc3cc(C(=O)[O-])ccc3o2)cc1 ZINC000114958324 567112891 /nfs/dbraw/zinc/11/28/91/567112891.db2.gz AFOBQYBIRDDGAD-UHFFFAOYSA-N -1 0 268.268 3.807 50 0 CHAARM CC(C)(C)c1ccc(Oc2ncccc2C(=O)[O-])cc1 ZINC000000132039 567819455 /nfs/dbraw/zinc/81/94/55/567819455.db2.gz CWEMPNYYKUSIDA-UHFFFAOYSA-N -1 0 271.316 3.870 50 0 CHAARM CC(C)(C)c1ccc(OCC(=O)[O-])c(C(C)(C)C)c1 ZINC000000297875 567824277 /nfs/dbraw/zinc/82/42/77/567824277.db2.gz ZKEWJHKMOWKCFM-UHFFFAOYSA-N -1 0 264.365 3.745 50 0 CHAARM Cc1ccc(-c2n[n-]c(=NC(=O)OCC(C)C)s2)cc1 ZINC000000320791 567825245 /nfs/dbraw/zinc/82/52/45/567825245.db2.gz FCXUUPLNOWKAKO-UHFFFAOYSA-N -1 0 291.376 3.718 50 0 CHAARM Cc1ccc(SCc2ccccc2C(=O)[O-])cc1 ZINC000000344468 567826088 /nfs/dbraw/zinc/82/60/88/567826088.db2.gz WSZOEEFMPMVJTD-UHFFFAOYSA-N -1 0 258.342 3.986 50 0 CHAARM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccs1 ZINC000000378906 567828011 /nfs/dbraw/zinc/82/80/11/567828011.db2.gz MZCANGYKZADNNF-UHFFFAOYSA-N -1 0 287.793 3.511 50 0 CHAARM CCc1ccc(OCc2cccc(C(=O)[O-])c2)cc1 ZINC000000466629 567831757 /nfs/dbraw/zinc/83/17/57/567831757.db2.gz QWTJOHVRGADVRT-UHFFFAOYSA-N -1 0 256.301 3.526 50 0 CHAARM O=C([O-])CCCCC(=O)c1cc(Cl)ccc1Cl ZINC000002579930 567848357 /nfs/dbraw/zinc/84/83/57/567848357.db2.gz JODYYXOXZXMYIF-UHFFFAOYSA-N -1 0 275.131 3.821 50 0 CHAARM O=C([O-])CC1(c2ccccc2)C2CC3CC(C2)CC1C3 ZINC000003125730 567851816 /nfs/dbraw/zinc/85/18/16/567851816.db2.gz UOHUGQYVSQANTJ-UHFFFAOYSA-N -1 0 270.372 3.855 50 0 CHAARM S=c1[n-]n(-c2ccc(Cl)cc2)c(=S)s1 ZINC000003285334 567852107 /nfs/dbraw/zinc/85/21/07/567852107.db2.gz SDKVGOSKIBFBEF-UHFFFAOYSA-N -1 0 260.796 3.605 50 0 CHAARM O=C([O-])c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004204757 567855817 /nfs/dbraw/zinc/85/58/17/567855817.db2.gz RXUAHMQUGGEWOB-UHFFFAOYSA-N -1 0 299.370 3.540 50 0 CHAARM Cc1cc2nc(Nc3nc4cccnc4[nH]3)sc2cc1C ZINC000004567262 567858011 /nfs/dbraw/zinc/85/80/11/567858011.db2.gz ZPHMJLBWAIFCDQ-UHFFFAOYSA-N -1 0 295.371 3.928 50 0 CHAARM Cc1nc(-c2ccc(Br)cc2)ccc1C(=O)[O-] ZINC000004568137 567858014 /nfs/dbraw/zinc/85/80/14/567858014.db2.gz CQOTVCGJANBNRT-UHFFFAOYSA-N -1 0 292.132 3.518 50 0 CHAARM O=C([O-])c1cccc(OCc2c(F)cccc2Cl)c1 ZINC000011954177 567862227 /nfs/dbraw/zinc/86/22/27/567862227.db2.gz RYJJJGDDMYRRGZ-UHFFFAOYSA-N -1 0 280.682 3.756 50 0 CHAARM O=C([O-])c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1 ZINC000012480205 567863458 /nfs/dbraw/zinc/86/34/58/567863458.db2.gz XEECCMDPMRNEHA-UHFFFAOYSA-N -1 0 297.141 3.755 50 0 CHAARM CCCCCCSc1nnc(-c2ccccc2)c(=O)[n-]1 ZINC000013628595 567866810 /nfs/dbraw/zinc/86/68/10/567866810.db2.gz OGQLIWBRWHUTEL-UHFFFAOYSA-N -1 0 289.404 3.504 50 0 CHAARM Cc1cc(C)cc(Nc2nnc(-c3ccccc3)c(=O)[n-]2)c1 ZINC000016777465 567873854 /nfs/dbraw/zinc/87/38/54/567873854.db2.gz SXDHEBRQDIQQQR-UHFFFAOYSA-N -1 0 292.342 3.605 50 0 CHAARM Cc1cc(C)c2nc3sc(C(=O)[O-])cc3cc2c1 ZINC000019568361 567877886 /nfs/dbraw/zinc/87/78/86/567877886.db2.gz UYSGUMDGPPOZNK-UHFFFAOYSA-N -1 0 257.314 3.765 50 0 CHAARM Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)[O-])sc21 ZINC000032916848 567886481 /nfs/dbraw/zinc/88/64/81/567886481.db2.gz WLHISUBHWTUSTP-UHFFFAOYSA-N -1 0 292.747 3.653 50 0 CHAARM O=C([O-])Cc1ccc2oc(-c3ccc(Cl)cc3)nc2c1 ZINC000033420303 567886634 /nfs/dbraw/zinc/88/66/34/567886634.db2.gz MQBAVJCSIXDBPU-UHFFFAOYSA-N -1 0 287.702 3.775 50 0 in-vitro CHAARM Cc1n[n-]c2c(-c3ccccc3)c(=O)c3ccccc3n12 ZINC000113641479 567889279 /nfs/dbraw/zinc/88/92/79/567889279.db2.gz BILRIMIYKFYLJI-UHFFFAOYSA-N -1 0 275.311 3.564 50 0 CHAARM CCc1occ(-c2ccc(Cl)cc2)c1C(=O)[O-] ZINC000075753421 567894485 /nfs/dbraw/zinc/89/44/85/567894485.db2.gz SLQDWVKZLRMWRS-UHFFFAOYSA-N -1 0 250.681 3.861 50 0 CHAARM O=C([O-])c1c(F)cccc1-c1ccc(Cl)cc1 ZINC000065350343 567898762 /nfs/dbraw/zinc/89/87/62/567898762.db2.gz SFMAPMJGEJWYBK-UHFFFAOYSA-N -1 0 250.656 3.844 50 0 CHAARM Cc1cc2c(cc1C(=O)[O-])-c1ccccc1CS2 ZINC000071783701 567902261 /nfs/dbraw/zinc/90/22/61/567902261.db2.gz RYFKPPPFSDYBHU-UHFFFAOYSA-N -1 0 256.326 3.966 50 0 CHAARM O=C(C=C([O-])c1ccccc1Cl)c1ccccc1O ZINC000100019229 567911884 /nfs/dbraw/zinc/91/18/84/567911884.db2.gz LHPUZLSWSLSCEQ-UHFFFAOYSA-N -1 0 274.703 3.501 50 0 biogenic CHAARM O=C(C=C([O-])c1cccc2ccccc21)C(F)(F)F ZINC000100316395 567912906 /nfs/dbraw/zinc/91/29/06/567912906.db2.gz UYQMAGRFYJIJOQ-UHFFFAOYSA-N -1 0 266.218 3.544 50 0 CHAARM CCc1ccc(/C=C/C(=O)Nc2c(C)cccc2C(=O)[O-])o1 ZINC000011689818 567924325 /nfs/dbraw/zinc/92/43/25/567924325.db2.gz FZLGPSWCWDBUHK-MDZDMXLPSA-N -1 0 299.326 3.501 50 0 CHAARM CCCn1c(=O)c2sc3ccccc3c2[n-]c1=S ZINC000000424651 567930428 /nfs/dbraw/zinc/93/04/28/567930428.db2.gz QJCSYJSTJJCHGJ-UHFFFAOYSA-N -1 0 276.386 3.684 50 0 CHAARM Cc1cc(C)c2nc(-c3ccccc3O)cc(C(=O)[O-])c2c1 ZINC000002521451 567937724 /nfs/dbraw/zinc/93/77/24/567937724.db2.gz OJTLBMCRYBWDEB-UHFFFAOYSA-N -1 0 293.322 3.922 50 0 CHAARM Cc1ccccc1CNc1cccc(C(=O)[O-])c1C ZINC000016577068 567944379 /nfs/dbraw/zinc/94/43/79/567944379.db2.gz IXZNTWRMSDDDJC-UHFFFAOYSA-N -1 0 255.317 3.614 50 0 CHAARM O=C([O-])c1cc(-c2ccccc2C(F)(F)F)ccc1O ZINC000002525749 570215460 /nfs/dbraw/zinc/21/54/60/570215460.db2.gz NCKNIKWPHLFUQN-UHFFFAOYSA-N -1 0 282.217 3.776 50 0 CHAARM O=C([O-])CCc1cccc(Oc2ccc(F)cc2)c1 ZINC000026423829 570231974 /nfs/dbraw/zinc/23/19/74/570231974.db2.gz VGIQSBXUZNYHGV-UHFFFAOYSA-N -1 0 260.264 3.635 50 0 CHAARM O=C([O-])c1c(-c2sccc2Cl)noc1C1CC1 ZINC000675058184 570365027 /nfs/dbraw/zinc/36/50/27/570365027.db2.gz XRVUMXZZRVWYOD-UHFFFAOYSA-N -1 0 269.709 3.632 50 0 CHAARM Cc1cc2c(cc1C)C(=O)C[C@H](c1ccccc1C(=O)[O-])O2 ZINC000041181966 570403575 /nfs/dbraw/zinc/40/35/75/570403575.db2.gz WIEJVCQZTZJNEZ-QGZVFWFLSA-N -1 0 296.322 3.708 50 0 CHAARM CC(=NNc1cccc(C(=O)[O-])c1)c1ccc(Cl)s1 ZINC000254840113 605592296 /nfs/dbraw/zinc/59/22/96/605592296.db2.gz WBULSBOQHVEFHS-UHFFFAOYSA-N -1 0 294.763 3.936 50 0 CHAARM CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)o1 ZINC000000269381 1128087025 /nfs/dbraw/zinc/08/70/25/1128087025.db2.gz YCTHKCMSYYWDDU-UHFFFAOYSA-N -1 0 287.315 3.528 50 0 CHAARM CCCCC[C@H](C(=O)[O-])[C@@H](C)CC(=O)NC1CCCCC1 ZINC000002227719 1122789024 /nfs/dbraw/zinc/78/90/24/1122789024.db2.gz DDWWBWGWCOFFDU-ZFWWWQNUSA-N -1 0 297.439 3.743 50 0 CHAARM CC(=NNc1cccc(C(=O)[O-])c1)c1cc2ccccc2o1 ZINC000254480502 1129696760 /nfs/dbraw/zinc/69/67/60/1129696760.db2.gz UKUBDIUYWYGFFX-UHFFFAOYSA-N -1 0 294.310 3.967 50 0 CHAARM CC(C)CC(C)N=Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000254504928 1129699645 /nfs/dbraw/zinc/69/96/45/1129699645.db2.gz KCXDITPADBQRRG-UHFFFAOYSA-N -1 0 268.744 3.872 50 0 CHAARM CC[C@H]1CCCCC1N=Nc1ccc(C(=O)[O-])cc1 ZINC000254843796 1129714297 /nfs/dbraw/zinc/71/42/97/1129714297.db2.gz PFTLXNYDAPOZSP-NSHDSACASA-N -1 0 260.337 3.753 50 0 CHAARM C[C@H]1CCCN(C(=O)c2cc(Cl)c([O-])c(Cl)c2)C1 ZINC000006509476 230369887 /nfs/dbraw/zinc/36/98/87/230369887.db2.gz RWMOFSYJCLOSNZ-QMMMGPOBSA-N -1 0 288.174 3.571 50 0 CHAARM O=C([O-])c1cccc(-c2nc3cc(Cl)ccc3o2)c1 ZINC000016398743 230371561 /nfs/dbraw/zinc/37/15/61/230371561.db2.gz CYSXWEJBMLRYHC-UHFFFAOYSA-N -1 0 273.675 3.846 50 0 CHAARM O=C([O-])c1csc(Nc2ccc3ccccc3c2)n1 ZINC000095929474 185031985 /nfs/dbraw/zinc/03/19/85/185031985.db2.gz QIOHNWUIEJURAF-UHFFFAOYSA-N -1 0 270.313 3.738 50 0 CHAARM O=C([O-])/C=C/c1ccc(OC(F)F)c(Cl)c1Cl ZINC000263623446 190070346 /nfs/dbraw/zinc/07/03/46/190070346.db2.gz HNQQIMCPEQGYTR-DUXPYHPUSA-N -1 0 283.057 3.693 50 0 CHAARM O=C([O-])/C=C/c1cc(OC(F)F)cc(Cl)c1Cl ZINC000263622721 190070387 /nfs/dbraw/zinc/07/03/87/190070387.db2.gz AGCYPGVUQPCRHP-OWOJBTEDSA-N -1 0 283.057 3.693 50 0 CHAARM CC[C@@]1(C)C[C@](CC(=O)[O-])(c2ccc(F)cc2)CCO1 ZINC000000367121 169620037 /nfs/dbraw/zinc/62/00/37/169620037.db2.gz RMZGDUOTDZVLFS-HOTGVXAUSA-N -1 0 280.339 3.517 50 0 CHAARM CC[C@@H](C(=O)Nc1cccc(C(=O)[O-])c1C)c1ccccc1 ZINC000001074861 169689370 /nfs/dbraw/zinc/68/93/70/169689370.db2.gz BNRCHWPFXNDZQS-CQSZACIVSA-N -1 0 297.354 3.826 50 0 CHAARM O=C([O-])Cn1c2ccccc2c2cc(Cl)ccc21 ZINC000002493770 169795080 /nfs/dbraw/zinc/79/50/80/169795080.db2.gz CVHAVOPWTWFXGD-UHFFFAOYSA-N -1 0 259.692 3.533 50 0 CHAARM O=C([O-])c1ccccc1SCc1ccccc1F ZINC000003346258 169881636 /nfs/dbraw/zinc/88/16/36/169881636.db2.gz PTQQBHWWGZQWAO-UHFFFAOYSA-N -1 0 262.305 3.816 50 0 CHAARM CC(C)COC(=O)N=c1[n-]nc(-c2ccccc2F)s1 ZINC000004694979 170000513 /nfs/dbraw/zinc/00/05/13/170000513.db2.gz UCVDNIIOUUHZQP-UHFFFAOYSA-N -1 0 295.339 3.549 50 0 CHAARM CC[C@](C)(OC(=O)c1ccccc1C(=O)[O-])c1ccccc1 ZINC000004794722 170018177 /nfs/dbraw/zinc/01/81/77/170018177.db2.gz AYBLOUHFXUMBBK-SFHVURJKSA-N -1 0 298.338 3.867 50 0 CHAARM O=C([O-])c1ccc(Cl)cc1CCc1cccs1 ZINC000004794421 170018426 /nfs/dbraw/zinc/01/84/26/170018426.db2.gz WMASLVZLGDWVPH-UHFFFAOYSA-N -1 0 266.749 3.885 50 0 CHAARM O=C([O-])c1cc2sccc2n1CC1CCCCC1 ZINC000004986655 170049699 /nfs/dbraw/zinc/04/96/99/170049699.db2.gz TUCHVYGTKMISKG-UHFFFAOYSA-N -1 0 263.362 3.981 50 0 CHAARM Cc1c2c(c(C)c(C)c1/C=C/C(=O)[O-])C(C)(C)CC2 ZINC000005378251 170090986 /nfs/dbraw/zinc/09/09/86/170090986.db2.gz XZROTEMBSKVEKV-VOTSOKGWSA-N -1 0 258.361 3.933 50 0 CHAARM Cc1cc(C)cc(OCc2ccc(C(=O)[O-])cc2)c1 ZINC000005592302 170117120 /nfs/dbraw/zinc/11/71/20/170117120.db2.gz RTAABVPKNHSFBK-UHFFFAOYSA-N -1 0 256.301 3.581 50 0 CHAARM CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000006048926 170172347 /nfs/dbraw/zinc/17/23/47/170172347.db2.gz IFFDDRHVXNKUHJ-HNNXBMFYSA-N -1 0 256.301 3.596 50 0 CHAARM Cn1c2ccccc2nc1[C@H]1CC[C@](C)(C(=O)[O-])C1(C)C ZINC000006388332 170197073 /nfs/dbraw/zinc/19/70/73/170197073.db2.gz ZDWSEERXYLZOGE-PIGZYNQJSA-N -1 0 286.375 3.568 50 0 CHAARM Cn1c2ccccc2nc1[C@H]1CC[C@@](C)(C(=O)[O-])C1(C)C ZINC000006388313 170197287 /nfs/dbraw/zinc/19/72/87/170197287.db2.gz ZDWSEERXYLZOGE-DIFFPNOSSA-N -1 0 286.375 3.568 50 0 CHAARM Cc1oc2cc([O-])ccc2c(=O)c1Oc1ccccc1F ZINC000006556410 170212732 /nfs/dbraw/zinc/21/27/32/170212732.db2.gz WYRDFHKSCISXMM-UHFFFAOYSA-N -1 0 286.258 3.738 50 0 CHAARM CCOc1cc(C(=O)[O-])ccc1OCc1cccc(F)c1 ZINC000006730617 170235169 /nfs/dbraw/zinc/23/51/69/170235169.db2.gz OLQWAAJKACCJQF-UHFFFAOYSA-N -1 0 290.290 3.502 50 0 CHAARM O=C([O-])c1ccccc1OCc1nc2ccccc2s1 ZINC000007063694 170265339 /nfs/dbraw/zinc/26/53/39/170265339.db2.gz QIAYSXMCBVXOMD-UHFFFAOYSA-N -1 0 285.324 3.574 50 0 CHAARM O=c1cc(C(F)(F)F)[n-]c2c1cccc2C(F)(F)F ZINC000008830538 170356856 /nfs/dbraw/zinc/35/68/56/170356856.db2.gz JIWHKBAFGFPZKM-UHFFFAOYSA-N -1 0 281.155 3.978 50 0 CHAARM COc1ccc(Cl)cc1[C@H](CC(=O)[O-])c1ccccc1 ZINC000036177807 172496454 /nfs/dbraw/zinc/49/64/54/172496454.db2.gz RQSTYDCJVRNKDH-CYBMUJFWSA-N -1 0 290.746 3.955 50 0 CHAARM CCC[C@@H]1Cc2cc([O-])c(Cl)c(Cl)c2C1=O ZINC000040443193 174263501 /nfs/dbraw/zinc/26/35/01/174263501.db2.gz JVIURHJLQOAEEY-ZCFIWIBFSA-N -1 0 259.132 3.854 50 0 CHAARM O=C([O-])C1(Cc2cccc(Cl)c2)CCCCC1 ZINC000041322731 174519390 /nfs/dbraw/zinc/51/93/90/174519390.db2.gz KSNNZQWIDBEZMO-UHFFFAOYSA-N -1 0 252.741 3.918 50 0 CHAARM O=C([O-])[C@@H]1CCCC[C@H]1CC(=O)c1ccccc1Cl ZINC000043879400 175116121 /nfs/dbraw/zinc/11/61/21/175116121.db2.gz AJTOSXBKVUQNOE-WDEREUQCSA-N -1 0 280.751 3.804 50 0 CHAARM N/C(=C(\C(=O)[O-])c1ccc2ccccc2c1)c1ccccc1 ZINC000043761401 263295979 /nfs/dbraw/zinc/29/59/79/263295979.db2.gz GHNOMVYHIPSIMC-ZCXUNETKSA-N -1 0 289.334 3.751 50 0 CHAARM O=C([O-])Cc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000006224700 326817860 /nfs/dbraw/zinc/81/78/60/326817860.db2.gz UGYDHONIIMDNCZ-UHFFFAOYSA-N -1 0 288.155 3.744 50 0 CHAARM Cc1sc(/C=C\c2scnc2C2CC2)nc1C(=O)[O-] ZINC000558451881 327095502 /nfs/dbraw/zinc/09/55/02/327095502.db2.gz PHWVOTQKTQFPLA-PLNGDYQASA-N -1 0 292.385 3.654 50 0 CHAARM Cc1sc(Nc2ccc(Cl)cc2)nc1C(=O)[O-] ZINC000137199537 566843299 /nfs/dbraw/zinc/84/32/99/566843299.db2.gz YRZREWCNYAKLPE-UHFFFAOYSA-N -1 0 268.725 3.547 50 0 CHAARM O=C([O-])c1ccc(C(F)(F)F)nc1-c1ccccc1F ZINC000047205265 566889627 /nfs/dbraw/zinc/88/96/27/566889627.db2.gz YNIRLSCULDGHMI-UHFFFAOYSA-N -1 0 285.196 3.605 50 0 CHAARM O=C([O-])CCCC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000001506697 566903125 /nfs/dbraw/zinc/90/31/25/566903125.db2.gz HIMPGWAEMWJIED-UHFFFAOYSA-N -1 0 295.423 3.735 50 0 CHAARM O=C([O-])COc1c(Cl)cc(Cl)c(Cl)c1Cl ZINC000004541961 566909913 /nfs/dbraw/zinc/90/99/13/566909913.db2.gz FCZCIRUCCZUXMC-UHFFFAOYSA-N -1 0 289.929 3.764 50 0 CHAARM O=C([O-])c1cc(OCc2cccc3ccccc32)ccc1O ZINC000216754325 567156047 /nfs/dbraw/zinc/15/60/47/567156047.db2.gz PJKIGYQEBUFPOE-UHFFFAOYSA-N -1 0 294.306 3.823 50 0 CHAARM Cc1cc(C)c([N-]S(=O)(=O)c2ccccc2F)c(C)c1 ZINC000003581254 567178665 /nfs/dbraw/zinc/17/86/65/567178665.db2.gz ANAWJRNOCHPUPH-UHFFFAOYSA-N -1 0 293.363 3.552 50 0 CHAARM COc1ccc(C)cc1[C@@H]1C[C@H](C(=O)[O-])C(C)(C)[C@@H]1C ZINC000059432161 567192192 /nfs/dbraw/zinc/19/21/92/567192192.db2.gz LWFAZDJFNGDVSA-YRGRVCCFSA-N -1 0 276.376 3.854 50 0 CHAARM O=C([O-])c1ccccc1SCc1cccc(F)c1 ZINC000000167481 567820976 /nfs/dbraw/zinc/82/09/76/567820976.db2.gz UFCGYCLSSJSOLK-UHFFFAOYSA-N -1 0 262.305 3.816 50 0 CHAARM COc1ccc(OC)c(Sc2ccccc2C(=O)[O-])c1 ZINC000000346505 567826081 /nfs/dbraw/zinc/82/60/81/567826081.db2.gz VUARWROGQYLDND-UHFFFAOYSA-N -1 0 290.340 3.553 50 0 CHAARM CCCC(CCC)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000000461177 567831261 /nfs/dbraw/zinc/83/12/61/567831261.db2.gz JKFXKAWFDNZROY-UHFFFAOYSA-N -1 0 263.337 3.540 50 0 CHAARM O=C([O-])CCN1c2ccccc2Sc2ccccc21 ZINC000000617896 567834753 /nfs/dbraw/zinc/83/47/53/567834753.db2.gz VNTAONUWHQBAMC-UHFFFAOYSA-N -1 0 271.341 3.764 50 0 biogenic,in-vitro CHAARM Cc1cc(C)c2nc(-c3ccncc3)cc(C(=O)[O-])c2c1 ZINC000000874958 567835111 /nfs/dbraw/zinc/83/51/11/567835111.db2.gz IFBPTCBOCMBOTI-UHFFFAOYSA-N -1 0 278.311 3.612 50 0 CHAARM O=C([O-])[C@H](CC(=O)c1ccccc1)c1cccc(Cl)c1 ZINC000001397568 567837098 /nfs/dbraw/zinc/83/70/98/567837098.db2.gz JPDTZXQICAHODL-CQSZACIVSA-N -1 0 288.730 3.781 50 0 CHAARM O=C([O-])CCCCCCC(=O)c1cccc(Cl)c1 ZINC000002378672 567845449 /nfs/dbraw/zinc/84/54/49/567845449.db2.gz UFJZMGPBOMKXFT-UHFFFAOYSA-N -1 0 268.740 3.948 50 0 CHAARM CCCCOc1cccc(C2(C(=O)[O-])CCCC2)c1 ZINC000002473025 567845759 /nfs/dbraw/zinc/84/57/59/567845759.db2.gz BMLFANTYXLEGAZ-UHFFFAOYSA-N -1 0 262.349 3.762 50 0 CHAARM Cc1ccc(OCc2cccc(C(=O)[O-])c2)c(C)c1 ZINC000002521420 567847533 /nfs/dbraw/zinc/84/75/33/567847533.db2.gz MNKAPIULKYVOQG-UHFFFAOYSA-N -1 0 256.301 3.581 50 0 CHAARM O=C([O-])/C=C/c1ccc(OCc2ccc(F)cc2)cc1 ZINC000002555747 567848106 /nfs/dbraw/zinc/84/81/06/567848106.db2.gz KOLALLMUHXRTGD-BJMVGYQFSA-N -1 0 272.275 3.503 50 0 CHAARM O=C([O-])CCCCCC(=O)c1ccccc1C(F)(F)F ZINC000002579907 567848317 /nfs/dbraw/zinc/84/83/17/567848317.db2.gz VFXIIKTWIBQFQS-UHFFFAOYSA-N -1 0 288.265 3.923 50 0 CHAARM Cc1[nH]c2ccc(OCc3ccccc3)cc2c1CC(=O)[O-] ZINC000002582687 567848683 /nfs/dbraw/zinc/84/86/83/567848683.db2.gz VREYEYYMWPBFIW-UHFFFAOYSA-N -1 0 295.338 3.682 50 0 CHAARM Cc1oc(-c2cccc(Cl)c2)nc1CSCC(=O)[O-] ZINC000003913601 567854691 /nfs/dbraw/zinc/85/46/91/567854691.db2.gz OUDOFLGGQJCVDE-UHFFFAOYSA-N -1 0 297.763 3.621 50 0 CHAARM O=C([O-])CCc1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000004218460 567855967 /nfs/dbraw/zinc/85/59/67/567855967.db2.gz YKHLOIXZUIBBHT-UHFFFAOYSA-N -1 0 283.302 3.991 50 0 CHAARM CC(C)CCC1(C(=O)[O-])CCN(C(=O)OC(C)(C)C)CC1 ZINC000062851333 567857908 /nfs/dbraw/zinc/85/79/08/567857908.db2.gz AMCVIAGOXZQKTC-UHFFFAOYSA-N -1 0 299.411 3.525 50 0 CHAARM O=C([O-])c1cccc(OCc2ccc(F)cc2Cl)c1 ZINC000013418878 567866221 /nfs/dbraw/zinc/86/62/21/567866221.db2.gz YDNBYDYFLWJGTC-UHFFFAOYSA-N -1 0 280.682 3.756 50 0 CHAARM COc1ccc(-c2[nH]c3ccccc3c2C(=O)[O-])cc1C ZINC000019724901 567878541 /nfs/dbraw/zinc/87/85/41/567878541.db2.gz HUDAWRJNRYODEV-UHFFFAOYSA-N -1 0 281.311 3.850 50 0 CHAARM O=C([O-])c1c(F)c(F)c(-c2ccccc2)c(F)c1F ZINC000016671666 567887916 /nfs/dbraw/zinc/88/79/16/567887916.db2.gz MVFMACFGAIIUBH-UHFFFAOYSA-N -1 0 270.181 3.608 50 0 CHAARM CCN(CC)c1ccc(C(=O)CCCCCC(=O)[O-])cc1 ZINC000043214152 567892414 /nfs/dbraw/zinc/89/24/14/567892414.db2.gz GUVUATFFNDSZQJ-UHFFFAOYSA-N -1 0 291.391 3.751 50 0 CHAARM O=C([O-])c1ccc(F)c(-c2cccc(Cl)c2)c1 ZINC000049838187 567893961 /nfs/dbraw/zinc/89/39/61/567893961.db2.gz DBZUPISCYQCHEO-UHFFFAOYSA-N -1 0 250.656 3.844 50 0 CHAARM O=C(C=C([O-])c1ccco1)c1ccc2ccccc2c1O ZINC000100719766 567913691 /nfs/dbraw/zinc/91/36/91/567913691.db2.gz GDWLKXMGWPUDCN-UHFFFAOYSA-N -1 0 280.279 3.594 50 0 CHAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)c1cccc2ccccc21 ZINC000071772406 567914951 /nfs/dbraw/zinc/91/49/51/567914951.db2.gz IIMIUKWQEUEQOF-HZPDHXFCSA-N -1 0 282.339 3.914 50 0 CHAARM Cc1ccc(C(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])cc1 ZINC000000193414 567924933 /nfs/dbraw/zinc/92/49/33/567924933.db2.gz LSCGIYLABOLXML-GJZGRUSLSA-N -1 0 272.344 3.625 50 0 CHAARM O=C([O-])c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1 ZINC000000198442 567924939 /nfs/dbraw/zinc/92/49/39/567924939.db2.gz LUSBYKYLOHVYEC-UHFFFAOYSA-N -1 0 298.729 3.891 50 0 CHAARM O=C([O-])c1ccc(-c2ccnc3ccsc32)cc1 ZINC000257367667 567931018 /nfs/dbraw/zinc/93/10/18/567931018.db2.gz BLOUSYLKZGVFFN-UHFFFAOYSA-N -1 0 255.298 3.662 50 0 CHAARM CC(C)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000000200498 567935515 /nfs/dbraw/zinc/93/55/15/567935515.db2.gz WASRRXYMRFYFOG-CABCVRRESA-N -1 0 289.375 3.640 50 0 CHAARM CC[C@@H](C(=O)Nc1cc(C(=O)[O-])ccc1C)c1ccccc1 ZINC000002880965 567937848 /nfs/dbraw/zinc/93/78/48/567937848.db2.gz MVPUXIWGZNRGNE-OAHLLOKOSA-N -1 0 297.354 3.826 50 0 CHAARM Cc1ccc(NC(=O)c2cc(Cl)ccc2[O-])c(C)c1 ZINC000003159242 567938857 /nfs/dbraw/zinc/93/88/57/567938857.db2.gz CZUQHNDZLWWUAG-UHFFFAOYSA-N -1 0 275.735 3.915 50 0 CHAARM CCc1ccccc1NC(=O)c1ccc([O-])c(Cl)c1 ZINC000012998652 567940949 /nfs/dbraw/zinc/94/09/49/567940949.db2.gz RUGHCVUYHHEDEY-UHFFFAOYSA-N -1 0 275.735 3.860 50 0 CHAARM CCC[C@H]1CCc2nc3ccccc3c(C(=O)[O-])c2C1 ZINC000019832185 567944863 /nfs/dbraw/zinc/94/48/63/567944863.db2.gz CLBUQJSOXXZGEM-NSHDSACASA-N -1 0 269.344 3.838 50 0 CHAARM COC(=O)Nc1c([O-])cc(Cl)c(Cl)c1Cl ZINC000001882565 570214574 /nfs/dbraw/zinc/21/45/74/570214574.db2.gz OKBKDPYFCHFEDF-UHFFFAOYSA-N -1 0 270.499 3.531 50 0 CHAARM O=C([O-])C[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000011628959 570219705 /nfs/dbraw/zinc/21/97/05/570219705.db2.gz CQGBVRBAVJLFOM-AWEZNQCLSA-N -1 0 260.720 3.947 50 0 CHAARM Cc1onc(-c2cccc(Cl)c2Cl)c1C(=O)[O-] ZINC000070535702 570248616 /nfs/dbraw/zinc/24/86/16/570248616.db2.gz FXSFOUNJWRTJRZ-UHFFFAOYSA-N -1 0 272.087 3.655 50 0 CHAARM Cc1ccc(-c2c(F)c(F)c(F)c(F)c2C(=O)[O-])cc1 ZINC000000201061 570270288 /nfs/dbraw/zinc/27/02/88/570270288.db2.gz WDHRXGMMZRPERY-UHFFFAOYSA-N -1 0 284.208 3.917 50 0 CHAARM Cc1nc(-c2c(C)oc3cc(C)cc(=O)c-3c2[O-])cs1 ZINC000005923746 570325976 /nfs/dbraw/zinc/32/59/76/570325976.db2.gz YIVLAXRSYNLWMI-UHFFFAOYSA-N -1 0 287.340 3.547 50 0 CHAARM O=C(c1c[nH]c(-c2ccncc2)c1)c1cc(Cl)ccc1[O-] ZINC000012597369 570328865 /nfs/dbraw/zinc/32/88/65/570328865.db2.gz SXJBSGFHRDJQAS-UHFFFAOYSA-N -1 0 298.729 3.667 50 0 CHAARM O=C([O-])c1ccc2scc(-c3ccncc3)c2c1 ZINC000148268568 1125602532 /nfs/dbraw/zinc/60/25/32/1125602532.db2.gz QAFHXCAKHIQMBQ-UHFFFAOYSA-N -1 0 255.298 3.662 50 0 CHAARM CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)[O-] ZINC000054533088 1125654348 /nfs/dbraw/zinc/65/43/48/1125654348.db2.gz CWJYLRNEOCFRBC-UHFFFAOYSA-N -1 0 275.270 3.640 50 0 CHAARM Cc1cccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000254393461 1127086892 /nfs/dbraw/zinc/08/68/92/1127086892.db2.gz WTMXXUAWEUWFIT-UHFFFAOYSA-N -1 0 288.734 3.793 50 0 CHAARM O=C([O-])COc1ccc(C2C3CC4CC(C3)CC2C4)cc1 ZINC000000189969 1129732765 /nfs/dbraw/zinc/73/27/65/1129732765.db2.gz VSEHJACVPGWOLK-UHFFFAOYSA-N -1 0 286.371 3.690 50 0 CHAARM Cc1[n-]n2c(nc(C)c(C)c2=O)c1-c1ccc(Cl)cc1 ZINC000102801784 185792614 /nfs/dbraw/zinc/79/26/14/185792614.db2.gz KTOYUZAWDSVHQX-UHFFFAOYSA-N -1 0 287.750 3.681 50 0 CHAARM O=C([O-])CCCCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000002579863 169813139 /nfs/dbraw/zinc/81/31/39/169813139.db2.gz GHVRWDKISNQXJT-UHFFFAOYSA-N -1 0 275.131 3.821 50 0 CHAARM O=C([O-])c1ccccc1[S@](=O)c1cccc2ccccc21 ZINC000000336999 169610454 /nfs/dbraw/zinc/61/04/54/169610454.db2.gz XDBBPHYBSIWYCW-NRFANRHFSA-N -1 0 296.347 3.705 50 0 CHAARM COc1cc(C(=O)[O-])ccc1OCc1ccccc1Cl ZINC000000453020 169644353 /nfs/dbraw/zinc/64/43/53/169644353.db2.gz OYGJEFJTAUFTJM-UHFFFAOYSA-N -1 0 292.718 3.626 50 0 CHAARM Cc1ccc(C)c(OCc2ccc(C(=O)[O-])cc2)c1 ZINC000002521403 169801372 /nfs/dbraw/zinc/80/13/72/169801372.db2.gz KRJMDMIKYZTKRL-UHFFFAOYSA-N -1 0 256.301 3.581 50 0 CHAARM C[C@@H](SCc1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000003235993 169870492 /nfs/dbraw/zinc/87/04/92/169870492.db2.gz WFNIYYBGSXOWTN-SECBINFHSA-N -1 0 279.386 3.516 50 0 CHAARM CCCc1c(C)nc2ccccc2c1SCC(=O)[O-] ZINC000004951264 170044913 /nfs/dbraw/zinc/04/49/13/170044913.db2.gz YADYLEBQAYDAAM-UHFFFAOYSA-N -1 0 275.373 3.672 50 0 CHAARM O=C([O-])CSc1ccc(Cl)c(Cl)c1Cl ZINC000004984369 170049062 /nfs/dbraw/zinc/04/90/62/170049062.db2.gz WYGFOYJKRHDDBG-UHFFFAOYSA-N -1 0 271.552 3.824 50 0 CHAARM CCc1ccc([C@@H](C)OC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000005045463 170060177 /nfs/dbraw/zinc/06/01/77/170060177.db2.gz PLYOFYDFIQEUKM-GFCCVEGCSA-N -1 0 298.338 3.865 50 0 CHAARM O=C([O-])/C=C/c1ccc(OCc2ccccc2F)cc1 ZINC000005061638 170062749 /nfs/dbraw/zinc/06/27/49/170062749.db2.gz QISKGXAMXJUFSG-JXMROGBWSA-N -1 0 272.275 3.503 50 0 CHAARM O=C([O-])c1ccccc1NCCc1ccc(Cl)cc1 ZINC000005520615 170107587 /nfs/dbraw/zinc/10/75/87/170107587.db2.gz KNCYBGUGQJEWTB-UHFFFAOYSA-N -1 0 275.735 3.693 50 0 CHAARM Cc1cccc(OCc2ccc(C(=O)[O-])cc2)c1C ZINC000005592304 170116950 /nfs/dbraw/zinc/11/69/50/170116950.db2.gz JJLYYFHEMDPPQB-UHFFFAOYSA-N -1 0 256.301 3.581 50 0 CHAARM CC1CCC(C(=O)c2c([O-])c3ccccc3oc2=O)CC1 ZINC000005686208 170129000 /nfs/dbraw/zinc/12/90/00/170129000.db2.gz KVUQMOJOINIPSW-UHFFFAOYSA-N -1 0 286.327 3.508 50 0 biogenic CHAARM COc1ccccc1-n1c(=S)[n-]nc1-c1ccccc1 ZINC000006533685 170211330 /nfs/dbraw/zinc/21/13/30/170211330.db2.gz QTSQIUPTVQTDLD-UHFFFAOYSA-N -1 0 283.356 3.605 50 0 CHAARM Cc1ccc(NC(=O)CCC2CCCCC2)c(C(=O)[O-])c1 ZINC000008186460 170323518 /nfs/dbraw/zinc/32/35/18/170323518.db2.gz KMASBMPTZXYEKP-UHFFFAOYSA-N -1 0 289.375 3.992 50 0 CHAARM O=C([O-])CCc1nc2ccccc2n1C1CCCCC1 ZINC000009526060 170380240 /nfs/dbraw/zinc/38/02/40/170380240.db2.gz FMGDEWIOIMGMBE-UHFFFAOYSA-N -1 0 272.348 3.559 50 0 CHAARM Cc1cc2cc(C(=O)c3ccccc3[O-])cnc2cc1C ZINC000010025122 170396019 /nfs/dbraw/zinc/39/60/19/170396019.db2.gz ALJYOXOCWNCKEW-UHFFFAOYSA-N -1 0 277.323 3.788 50 0 CHAARM O=C([O-])CCc1ccc(-c2ccccc2Br)o1 ZINC000020267806 171124227 /nfs/dbraw/zinc/12/42/27/171124227.db2.gz RIIOKEGADFKSIM-UHFFFAOYSA-N -1 0 295.132 3.726 50 0 CHAARM C[C@@H]1CC=CC[C@@H]1COCc1cccc(C(=O)[O-])c1 ZINC000020519068 171233349 /nfs/dbraw/zinc/23/33/49/171233349.db2.gz XXFBBSJHZMRSHZ-IUODEOHRSA-N -1 0 260.333 3.504 50 0 CHAARM O=C([O-])c1ccccc1Nc1cccc(Br)c1 ZINC000021999412 171348268 /nfs/dbraw/zinc/34/82/68/171348268.db2.gz IRGQJNUPNQPHQP-UHFFFAOYSA-N -1 0 292.132 3.891 50 0 in-vitro CHAARM CCn1ncc(-c2ccc(C(C)(C)C)cc2)c1C(=O)[O-] ZINC000534657486 328341159 /nfs/dbraw/zinc/34/11/59/328341159.db2.gz XMSUJVSJNAIIQE-UHFFFAOYSA-N -1 0 272.348 3.566 50 0 CHAARM COc1ccc(Sc2ccc(C(=O)[O-])cc2)cc1 ZINC000050913566 525113961 /nfs/dbraw/zinc/11/39/61/525113961.db2.gz VEQLAPRSSMRJRW-UHFFFAOYSA-N -1 0 260.314 3.545 50 0 CHAARM FC(F)(F)c1cccc([S-])c1Br ZINC000255187268 566836702 /nfs/dbraw/zinc/83/67/02/566836702.db2.gz CKAUTTLSQMQBCY-UHFFFAOYSA-N -1 0 257.074 3.757 50 0 CHAARM CC(C)(C)c1ccccc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000013006624 566958922 /nfs/dbraw/zinc/95/89/22/566958922.db2.gz FIDQPSYDPZGDCH-UHFFFAOYSA-N -1 0 291.391 3.814 50 0 CHAARM CCCCc1cc(C(=O)Cc2ccccc2)c(O)cc1O ZINC000002029147 566981931 /nfs/dbraw/zinc/98/19/31/566981931.db2.gz PWHXLVGLHQFALJ-UHFFFAOYSA-N -1 0 284.355 3.866 50 0 biogenic CHAARM C[C@H](CC(=O)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000001846221 566999411 /nfs/dbraw/zinc/99/94/11/566999411.db2.gz FDRDUFLWFSLNFT-GFCCVEGCSA-N -1 0 268.312 3.647 50 0 in-man CHAARM CCCC[C@@H](C(=O)[O-])[C@@H](C)CC(=O)Nc1ccccc1 ZINC000002329722 567099028 /nfs/dbraw/zinc/09/90/28/567099028.db2.gz MRPWMJUQIHSLRT-GXTWGEPZSA-N -1 0 277.364 3.542 50 0 CHAARM O=C([O-])c1ccc(/C=C\c2nc3ccccc3o2)cc1 ZINC000096288942 567140838 /nfs/dbraw/zinc/14/08/38/567140838.db2.gz BPZPFGPYTUDYEK-YFHOEESVSA-N -1 0 265.268 3.696 50 0 CHAARM CC[C@@]1(C)C[C@](CC(=O)[O-])(c2ccc(C)cc2)CCO1 ZINC000002930279 567154711 /nfs/dbraw/zinc/15/47/11/567154711.db2.gz JIZLCLRKAOQRQP-IRXDYDNUSA-N -1 0 276.376 3.687 50 0 biogenic CHAARM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)s1 ZINC000069572707 567202172 /nfs/dbraw/zinc/20/21/72/567202172.db2.gz NTUWNCHPUKRZLU-UHFFFAOYSA-N -1 0 287.793 3.511 50 0 CHAARM O=C([O-])/C=C/c1ccc(-c2ccccc2Br)o1 ZINC000000040858 567816867 /nfs/dbraw/zinc/81/68/67/567816867.db2.gz FVCBRTBMTOOITC-SOFGYWHQSA-N -1 0 293.116 3.807 50 0 CHAARM CSC(=S)[N-]c1ccc(Br)cc1 ZINC000000135312 567819823 /nfs/dbraw/zinc/81/98/23/567819823.db2.gz PDHYVPIEZSMJRO-UHFFFAOYSA-N -1 0 262.197 3.509 50 0 CHAARM Cc1cccc(-c2cc(O)cc3sc(=O)oc32)c1 ZINC000000180398 567821634 /nfs/dbraw/zinc/82/16/34/567821634.db2.gz PWAPRARLWYMFLU-UHFFFAOYSA-N -1 0 258.298 3.536 50 0 CHAARM COc1ccccc1-c1cc(C(=O)[O-])c2ccccc2n1 ZINC000000204971 567822053 /nfs/dbraw/zinc/82/20/53/567822053.db2.gz FESGWXLVLIYOOB-UHFFFAOYSA-N -1 0 279.295 3.609 50 0 biogenic CHAARM COc1ccc2c(Cl)c(C(=O)[O-])sc2c1Cl ZINC000000235758 567822947 /nfs/dbraw/zinc/82/29/47/567822947.db2.gz VSTRNRLKTOVPGN-UHFFFAOYSA-N -1 0 277.128 3.915 50 0 CHAARM Cc1cccc(-n2nc(-c3ccc(F)cc3)cc2C(=O)[O-])c1 ZINC000000324151 567825268 /nfs/dbraw/zinc/82/52/68/567825268.db2.gz MAFRBSHYNWBBNI-UHFFFAOYSA-N -1 0 296.301 3.685 50 0 CHAARM CC(C)(Oc1ccc(C2CCCCC2)cc1)C(=O)[O-] ZINC000000448134 567830578 /nfs/dbraw/zinc/83/05/78/567830578.db2.gz NHMCFXAIHLRPQR-UHFFFAOYSA-N -1 0 262.349 3.976 50 0 CHAARM Cc1cc(S(=O)(=O)[O-])c2c(C)ccc(C(C)C)cc1-2 ZINC000002034069 567844084 /nfs/dbraw/zinc/84/40/84/567844084.db2.gz VIZXMHCBZLGUET-UHFFFAOYSA-N -1 0 278.373 3.778 50 0 in-man CHAARM CC(C)CC[C@H](C(=O)[O-])[C@H](C)CC(=O)NC1CCCCC1 ZINC000002250490 567845569 /nfs/dbraw/zinc/84/55/69/567845569.db2.gz BLHDTATYKOMPBW-HIFRSBDPSA-N -1 0 297.439 3.599 50 0 CHAARM O=C([O-])CCCCC(=O)c1ccc2ccccc2c1 ZINC000002378700 567845633 /nfs/dbraw/zinc/84/56/33/567845633.db2.gz GMYDEGVDEPRTQI-UHFFFAOYSA-N -1 0 256.301 3.668 50 0 CHAARM CC(C)CC[C@@H](C(=O)[O-])[C@H](C)CC(=O)NC1CCCCC1 ZINC000002250491 567845667 /nfs/dbraw/zinc/84/56/67/567845667.db2.gz BLHDTATYKOMPBW-UKRRQHHQSA-N -1 0 297.439 3.599 50 0 CHAARM Cc1cccc2c(C(=O)[O-])cc(-c3cccs3)nc12 ZINC000002521241 567847345 /nfs/dbraw/zinc/84/73/45/567847345.db2.gz SRPFZIXAUMPPGN-UHFFFAOYSA-N -1 0 269.325 3.970 50 0 CHAARM CC(C)OC(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC000002528979 567847905 /nfs/dbraw/zinc/84/79/05/567847905.db2.gz MIMARYDYKAGGKW-UHFFFAOYSA-N -1 0 284.311 3.617 50 0 CHAARM CCCOc1c(Cl)cc(/C=C/C(=O)[O-])cc1OCC ZINC000002619129 567848631 /nfs/dbraw/zinc/84/86/31/567848631.db2.gz FYLWDNBTOCCUAF-AATRIKPKSA-N -1 0 284.739 3.625 50 0 CHAARM Cc1cccc(C(=O)Nc2cc(Cl)ccc2O)c1 ZINC000002878981 567849774 /nfs/dbraw/zinc/84/97/74/567849774.db2.gz LYLALVIXUCNBBC-UHFFFAOYSA-N -1 0 261.708 3.606 50 0 CHAARM O=C([O-])c1ccccc1OCc1ccccc1Cl ZINC000003243303 567852025 /nfs/dbraw/zinc/85/20/25/567852025.db2.gz WIMYONIKOLZLBM-UHFFFAOYSA-N -1 0 262.692 3.617 50 0 CHAARM Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)[O-])cc1 ZINC000003346470 567852496 /nfs/dbraw/zinc/85/24/96/567852496.db2.gz LPXNEXTXAIVFDK-UHFFFAOYSA-N -1 0 292.338 3.605 50 0 CHAARM O=C([O-])c1ccccc1SCc1cccs1 ZINC000004206052 567855636 /nfs/dbraw/zinc/85/56/36/567855636.db2.gz VNEMIQPVWXWVOO-UHFFFAOYSA-N -1 0 250.344 3.739 50 0 CHAARM C[C@](Cc1nc2ccccc2s1)(C(=O)[O-])c1ccccc1 ZINC000004207428 567855701 /nfs/dbraw/zinc/85/57/01/567855701.db2.gz CQYXWVCTRPQMKH-QGZVFWFLSA-N -1 0 297.379 3.881 50 0 CHAARM O=C([O-])c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1 ZINC000004204476 567855828 /nfs/dbraw/zinc/85/58/28/567855828.db2.gz YTECAJSUOLDFHJ-UHFFFAOYSA-N -1 0 298.729 3.891 50 0 CHAARM O=C([O-])Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000004227512 567856225 /nfs/dbraw/zinc/85/62/25/567856225.db2.gz YBTGRZNGHUSBBA-UHFFFAOYSA-N -1 0 276.719 3.546 50 0 CHAARM O=C([O-])C1(Nc2ccc(Cl)cc2)CCCCC1 ZINC000004253326 567856274 /nfs/dbraw/zinc/85/62/74/567856274.db2.gz SKCWLQLTAYBHQB-UHFFFAOYSA-N -1 0 253.729 3.539 50 0 CHAARM O=C([O-])c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000004412588 567857297 /nfs/dbraw/zinc/85/72/97/567857297.db2.gz MRLLPLNNVZERDA-UHFFFAOYSA-N -1 0 269.275 3.527 50 0 in-vitro CHAARM Cc1cccc(OCc2ccccc2C(=O)[O-])c1C ZINC000011994361 567862281 /nfs/dbraw/zinc/86/22/81/567862281.db2.gz NZRMOEVSQVAUGM-UHFFFAOYSA-N -1 0 256.301 3.581 50 0 CHAARM O=C([O-])c1ccc(-c2sccc2Br)cc1 ZINC000012370816 567862621 /nfs/dbraw/zinc/86/26/21/567862621.db2.gz WAOAWGITQLHUFM-UHFFFAOYSA-N -1 0 283.146 3.876 50 0 CHAARM O=C([O-])Cc1cnc(-c2c(Cl)cccc2Cl)s1 ZINC000012243758 567862667 /nfs/dbraw/zinc/86/26/67/567862667.db2.gz PFUMLEODFOERDV-UHFFFAOYSA-N -1 0 288.155 3.744 50 0 CHAARM O=C([O-])c1cc(NCc2cccs2)ccc1Cl ZINC000016577790 567872824 /nfs/dbraw/zinc/87/28/24/567872824.db2.gz WALKCNNEZLEBIT-UHFFFAOYSA-N -1 0 267.737 3.712 50 0 CHAARM O=C([O-])c1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000032265885 567886114 /nfs/dbraw/zinc/88/61/14/567886114.db2.gz DYUJVGCEPFDDFC-UHFFFAOYSA-N -1 0 299.713 3.547 50 0 CHAARM C[C@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000036965564 567889803 /nfs/dbraw/zinc/88/98/03/567889803.db2.gz XQNVKJQDDKBJFO-QMMMGPOBSA-N -1 0 297.763 3.701 50 0 CHAARM Cc1cc(C(C)(C)C)ccc1OCCCC(=O)[O-] ZINC000037116955 567889978 /nfs/dbraw/zinc/88/99/78/567889978.db2.gz DBENJXOKYASJSU-UHFFFAOYSA-N -1 0 250.338 3.536 50 0 CHAARM COc1cc(C(=O)[O-])cc(-c2ccc(SC)cc2)c1 ZINC000065350880 567898500 /nfs/dbraw/zinc/89/85/00/567898500.db2.gz QUEYBXZLLPOOEU-UHFFFAOYSA-N -1 0 274.341 3.782 50 0 CHAARM COc1ccc2c(c1)CCC1=C2CC[C@H](C(=O)[O-])[C@H]1C ZINC000001670317 567907940 /nfs/dbraw/zinc/90/79/40/567907940.db2.gz LSKSKLUVAZWZLX-HZMBPMFUSA-N -1 0 272.344 3.526 50 0 CHAARM CCCc1occ(-c2ccc(F)cc2F)c1C(=O)[O-] ZINC000725246103 567908174 /nfs/dbraw/zinc/90/81/74/567908174.db2.gz JLLDGHDTWNTZDH-UHFFFAOYSA-N -1 0 266.243 3.876 50 0 CHAARM O=c1cc(-c2ccccc2Cl)[n-]n1-c1ccccc1 ZINC000100070117 567912171 /nfs/dbraw/zinc/91/21/71/567912171.db2.gz GLFPHGXOKHHDQU-UHFFFAOYSA-N -1 0 270.719 3.898 50 0 CHAARM Cc1ccccc1-n1nc(C(=O)[O-])cc1-c1ccccc1 ZINC000000198424 567925187 /nfs/dbraw/zinc/92/51/87/567925187.db2.gz HVMRXJIAQBCGKL-UHFFFAOYSA-N -1 0 278.311 3.546 50 0 CHAARM Cc1[n-]n(-c2ccccc2)c(=O)c1CC=C(Cl)Cl ZINC000100676984 567928362 /nfs/dbraw/zinc/92/83/62/567928362.db2.gz JNLNZHBQHVDQJD-LLVKDONJSA-N -1 0 283.158 3.734 50 0 CHAARM Cc1cccc(NC(=O)Nc2ccc(C(=O)[O-])cc2)c1C ZINC000000397434 567936322 /nfs/dbraw/zinc/93/63/22/567936322.db2.gz ZGLMHDKAKFUDFK-UHFFFAOYSA-N -1 0 284.315 3.646 50 0 CHAARM Cc1cc(C)c(NC(=O)CCc2ccccc2)c(C(=O)[O-])c1 ZINC000016622933 567944511 /nfs/dbraw/zinc/94/45/11/567944511.db2.gz PEOQNYPSASZFCH-UHFFFAOYSA-N -1 0 297.354 3.573 50 0 CHAARM O=C([O-])c1ccc2noc(-c3ccc(Cl)cc3)c2c1 ZINC000004539913 570224465 /nfs/dbraw/zinc/22/44/65/570224465.db2.gz NZDQLMTWHXCQNS-UHFFFAOYSA-N -1 0 273.675 3.846 50 0 CHAARM Cc1cc2c([n-]c(=S)n(C3CCCC3)c2=O)s1 ZINC000016991101 570225924 /nfs/dbraw/zinc/22/59/24/570225924.db2.gz AQQQIKOVOZEZRN-UHFFFAOYSA-N -1 0 266.391 3.544 50 0 CHAARM O=C([O-])CC1(CC(=O)Nc2ccccc2Cl)CCCC1 ZINC000000520398 570285791 /nfs/dbraw/zinc/28/57/91/570285791.db2.gz ZRUUWTAMUMDZHF-UHFFFAOYSA-N -1 0 295.766 3.704 50 0 CHAARM O=C(c1c[nH]c(-c2ccccn2)c1)c1cc(Cl)ccc1[O-] ZINC000012597361 570328644 /nfs/dbraw/zinc/32/86/44/570328644.db2.gz QIYKBLTUYBUTAE-UHFFFAOYSA-N -1 0 298.729 3.667 50 0 CHAARM CC(C)c1noc2nc(-c3cccs3)cc(C(=O)[O-])c21 ZINC000016778801 570334755 /nfs/dbraw/zinc/33/47/55/570334755.db2.gz SLSUVHIWUQCBNC-UHFFFAOYSA-N -1 0 288.328 3.773 50 0 CHAARM Cc1cc2c(cc1C)C(=O)C[C@@H](c1ccccc1C(=O)[O-])O2 ZINC000041181964 570403668 /nfs/dbraw/zinc/40/36/68/570403668.db2.gz WIEJVCQZTZJNEZ-KRWDZBQOSA-N -1 0 296.322 3.708 50 0 CHAARM O=C([O-])/C=C/c1csc(/C=C\c2cccc(F)c2)n1 ZINC000606442804 1121665702 /nfs/dbraw/zinc/66/57/02/1121665702.db2.gz HJZCQYCRMRCIEI-XGXWUAJZSA-N -1 0 275.304 3.550 50 0 CHAARM O=C([O-])c1ccc2scc(-c3cccnc3)c2c1 ZINC000148262369 1123857095 /nfs/dbraw/zinc/85/70/95/1123857095.db2.gz UEIFVERTLTWACB-UHFFFAOYSA-N -1 0 255.298 3.662 50 0 CHAARM O=C([O-])c1cc(NN=Cc2cccs2)ccc1Cl ZINC000254760797 1129709310 /nfs/dbraw/zinc/70/93/10/1129709310.db2.gz IMESQPDKYTXGCS-UHFFFAOYSA-N -1 0 280.736 3.546 50 0 CHAARM Cc1ccc(/C(=C\c2c(C)cccc2N)C(=O)[O-])cc1 ZINC000952987859 1132019167 /nfs/dbraw/zinc/01/91/67/1132019167.db2.gz YOMGYCUZZQWCCZ-XNTDXEJSSA-N -1 0 267.328 3.511 50 0 CHAARM [O-]c1cc(-c2cccc3cccnc32)cc(F)c1F ZINC000426641339 230425234 /nfs/dbraw/zinc/42/52/34/230425234.db2.gz GVPASXZQIHKRBS-UHFFFAOYSA-N -1 0 257.239 3.886 50 0 CHAARM CC(C)CCn1ccc([N-]c2nc3ccccc3o2)n1 ZINC000096001990 185061464 /nfs/dbraw/zinc/06/14/64/185061464.db2.gz XMUWIJZUTVLGSS-UHFFFAOYSA-N -1 0 270.336 3.814 50 0 CHAARM O=C([O-])Cc1cccc(-c2ccc(OC(F)(F)F)cc2)c1 ZINC000085472187 179077049 /nfs/dbraw/zinc/07/70/49/179077049.db2.gz KHJFSXOQGHCNOQ-UHFFFAOYSA-N -1 0 296.244 3.879 50 0 CHAARM Cc1ccnc(-c2csc(-c3cccc(C(=O)[O-])c3)n2)c1 ZINC000328593627 201946714 /nfs/dbraw/zinc/94/67/14/201946714.db2.gz PSEDQGKDUXCQTP-UHFFFAOYSA-N -1 0 296.351 3.879 50 0 CHAARM CO[C@H](C)c1cccc(-c2ncc(C(=O)[O-])cc2Cl)c1 ZINC000215883398 189697901 /nfs/dbraw/zinc/69/79/01/189697901.db2.gz APTGPHAERSUCBP-SECBINFHSA-N -1 0 291.734 3.808 50 0 CHAARM C[C@H](CNc1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000000386555 169626115 /nfs/dbraw/zinc/62/61/15/169626115.db2.gz YQYFKQZCAMRFDI-GFCCVEGCSA-N -1 0 271.316 3.612 50 0 CHAARM O=C([O-])c1ccccc1C(=O)c1cccc2c(F)cccc12 ZINC000000397489 169630126 /nfs/dbraw/zinc/63/01/26/169630126.db2.gz AIHPNMHUYIBOFX-UHFFFAOYSA-N -1 0 294.281 3.908 50 0 CHAARM O=C([O-])c1cc(-c2cccs2)nc2ccc(F)cc21 ZINC000000416409 169634710 /nfs/dbraw/zinc/63/47/10/169634710.db2.gz NECNZILGZJOMGJ-UHFFFAOYSA-N -1 0 273.288 3.801 50 0 CHAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)c1cccc2ccccc21 ZINC000071772407 184576191 /nfs/dbraw/zinc/57/61/91/184576191.db2.gz IIMIUKWQEUEQOF-JKSUJKDBSA-N -1 0 282.339 3.914 50 0 CHAARM COc1c(C)cc(C(=O)CCCCCC(=O)[O-])cc1C ZINC000002378630 169788021 /nfs/dbraw/zinc/78/80/21/169788021.db2.gz TZPOUTJRLGIKIJ-UHFFFAOYSA-N -1 0 278.348 3.530 50 0 CHAARM O=C([O-])c1cc(-c2cccnc2)nc2c(Cl)cccc12 ZINC000002521459 169801491 /nfs/dbraw/zinc/80/14/91/169801491.db2.gz GWQRSIFXNZFRGO-UHFFFAOYSA-N -1 0 284.702 3.648 50 0 CHAARM CC1(C)[C@@H](c2nc3ccccc3[nH]2)CC[C@]1(C)C(=O)[O-] ZINC000003613689 169902516 /nfs/dbraw/zinc/90/25/16/169902516.db2.gz CBFUDFNIKRRVDP-QLJPJBMISA-N -1 0 272.348 3.557 50 0 CHAARM O=C([O-])C1(c2ccc(Cl)c(Cl)c2)CCCC1 ZINC000004755617 170012515 /nfs/dbraw/zinc/01/25/15/170012515.db2.gz JYVJTQGEWALLOO-UHFFFAOYSA-N -1 0 259.132 3.890 50 0 CHAARM O=C([O-])CC1(c2ccc(F)cc2)C2CC3CC(C2)CC1C3 ZINC000005252880 170080005 /nfs/dbraw/zinc/08/00/05/170080005.db2.gz XXKCDMKSNNHWFU-UHFFFAOYSA-N -1 0 288.362 3.994 50 0 CHAARM Cc1nc(-c2c(F)cccc2Cl)sc1C(=O)[O-] ZINC000005592379 170116907 /nfs/dbraw/zinc/11/69/07/170116907.db2.gz RQZFUHBUZBIHEU-UHFFFAOYSA-N -1 0 271.700 3.609 50 0 CHAARM CC(C)c1ccc([N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000005601811 170118341 /nfs/dbraw/zinc/11/83/41/170118341.db2.gz GNAGWARYAYUKLM-UHFFFAOYSA-N -1 0 293.363 3.750 50 0 CHAARM O=C([O-])[C@@]1(CCCCCCOc2ccc(Cl)cc2)CO1 ZINC000005841692 170146088 /nfs/dbraw/zinc/14/60/88/170146088.db2.gz NWSIRTXVYBEURF-OAHLLOKOSA-N -1 0 298.766 3.523 50 0 in-vitro CHAARM Cc1ccc(OCCn2cc(C(=O)[O-])c3ccccc32)cc1 ZINC000006721551 170232495 /nfs/dbraw/zinc/23/24/95/170232495.db2.gz RHAXPAQHQYXLPX-UHFFFAOYSA-N -1 0 295.338 3.727 50 0 CHAARM Cc1cc(Cl)ccc1Oc1ccc(C(=O)[O-])o1 ZINC000006826104 170246883 /nfs/dbraw/zinc/24/68/83/170246883.db2.gz DDLRVSAMABXWRQ-UHFFFAOYSA-N -1 0 252.653 3.732 50 0 CHAARM Cc1ccc2c([O-])c(C(=O)c3ccc(Cl)cc3)cnc2n1 ZINC000006974074 170259824 /nfs/dbraw/zinc/25/98/24/170259824.db2.gz ORALSWAQXPYCAU-UHFFFAOYSA-N -1 0 298.729 3.528 50 0 CHAARM O=C([O-])c1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000007603894 170292890 /nfs/dbraw/zinc/29/28/90/170292890.db2.gz FZIHIQSGPAOFJD-UHFFFAOYSA-N -1 0 280.682 3.756 50 0 CHAARM Cc1cccc(C(=O)[O-])c1NC(=O)c1cc2ccccc2o1 ZINC000013432321 170549818 /nfs/dbraw/zinc/54/98/18/170549818.db2.gz VKXPNTPSWNTBKW-UHFFFAOYSA-N -1 0 295.294 3.692 50 0 CHAARM CCCCc1c(C)nc2c(-c3ccccc3)c(C)[n-]n2c1=O ZINC000018240681 170748923 /nfs/dbraw/zinc/74/89/23/170748923.db2.gz YEQZVCDLHXUAJO-UHFFFAOYSA-N -1 0 295.386 3.649 50 0 CHAARM CCOc1ccccc1Oc1ccccc1C(=O)[O-] ZINC000020080691 170985665 /nfs/dbraw/zinc/98/56/65/170985665.db2.gz RFTUVUFIWSPYPX-UHFFFAOYSA-N -1 0 258.273 3.576 50 0 CHAARM O=C([O-])c1cccc(-c2ccccc2OC(F)(F)F)c1 ZINC000021950835 171339851 /nfs/dbraw/zinc/33/98/51/171339851.db2.gz WEIWIUNVLRWUGF-UHFFFAOYSA-N -1 0 282.217 3.950 50 0 CHAARM O=C([O-])c1ccccc1COc1cccc2cccnc21 ZINC000035415250 172189563 /nfs/dbraw/zinc/18/95/63/172189563.db2.gz COGLRPVCWFCLLB-UHFFFAOYSA-N -1 0 279.295 3.512 50 0 CHAARM O=C([O-])c1cnc(-c2c(Cl)cccc2Cl)s1 ZINC000036930141 172811654 /nfs/dbraw/zinc/81/16/54/172811654.db2.gz CYAQBLXUIKZTRB-UHFFFAOYSA-N -1 0 274.128 3.815 50 0 CHAARM CC(C)c1ccccc1OCc1ccoc1C(=O)[O-] ZINC000037333242 173134636 /nfs/dbraw/zinc/13/46/36/173134636.db2.gz ZJWXKADQNJAYIM-UHFFFAOYSA-N -1 0 260.289 3.680 50 0 CHAARM O=C([O-])[C@@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000037374931 173164254 /nfs/dbraw/zinc/16/42/54/173164254.db2.gz CGUGZTHXTKFWPR-ZDUSSCGKSA-N -1 0 280.682 3.684 50 0 CHAARM O=C([O-])Cc1cccc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000038236305 174137511 /nfs/dbraw/zinc/13/75/11/174137511.db2.gz CENVAKJTZAEGHS-UHFFFAOYSA-N -1 0 280.245 4.000 50 0 CHAARM COc1ccc(Cl)cc1C(=O)CCCCCC(=O)[O-] ZINC000043214170 174984506 /nfs/dbraw/zinc/98/45/06/174984506.db2.gz MGHHMPQMWDABAM-UHFFFAOYSA-N -1 0 284.739 3.566 50 0 CHAARM CC(C)(C)OC(=O)N[C@H](CCC(=O)[O-])CC1CCCCC1 ZINC000059206660 175631254 /nfs/dbraw/zinc/63/12/54/175631254.db2.gz KWAZBFFJSLAYPW-CYBMUJFWSA-N -1 0 299.411 3.715 50 0 CHAARM COc1ccc(Cl)c(-c2cccc(C(=O)[O-])c2)c1 ZINC000065336968 175709456 /nfs/dbraw/zinc/70/94/56/175709456.db2.gz CNLNBYMMKGMIEU-UHFFFAOYSA-N -1 0 262.692 3.714 50 0 CHAARM Cc1cc(C)cc(Oc2ccc(CC(=O)[O-])cc2)c1 ZINC000071577491 176205862 /nfs/dbraw/zinc/20/58/62/176205862.db2.gz NJMRDOHTRCIPNA-UHFFFAOYSA-N -1 0 256.301 3.723 50 0 CHAARM O=C([O-])Cc1c(Cl)ccc(C(F)(F)F)c1Cl ZINC000071867301 176282021 /nfs/dbraw/zinc/28/20/21/176282021.db2.gz QTDIIHDMBZOTED-UHFFFAOYSA-N -1 0 273.037 3.639 50 0 CHAARM O=C([O-])CCCCc1cccc(-c2cccnc2)c1 ZINC000534581119 328311948 /nfs/dbraw/zinc/31/19/48/328311948.db2.gz UHELPICRDUDLAS-UHFFFAOYSA-N -1 0 255.317 3.546 50 0 CHAARM CC[C@@](C)(OC(=O)c1ccccc1C(=O)[O-])c1ccccc1 ZINC000000398036 326791822 /nfs/dbraw/zinc/79/18/22/326791822.db2.gz AYBLOUHFXUMBBK-GOSISDBHSA-N -1 0 298.338 3.867 50 0 CHAARM CC(C)Cn1c(C(=O)[O-])cc2cc(Br)ccc21 ZINC000585672090 566880341 /nfs/dbraw/zinc/88/03/41/566880341.db2.gz UHMSRHDZZWASDA-UHFFFAOYSA-N -1 0 296.164 3.758 50 0 CHAARM O=C([O-])c1ncc(C(F)(F)F)cc1-c1ccccc1F ZINC000047205268 566889302 /nfs/dbraw/zinc/88/93/02/566889302.db2.gz MFNUXCDBZHLWEA-UHFFFAOYSA-N -1 0 285.196 3.605 50 0 CHAARM COc1ccccc1C([O-])=C1C(=O)[C@@H](C(C)C)CC[C@H]1C ZINC000252628688 567069796 /nfs/dbraw/zinc/06/97/96/567069796.db2.gz SVOQHHZZAAXCHG-IOASZLSFSA-N -1 0 288.387 3.765 50 0 CHAARM Cc1cccc(C(=O)Nc2cc(Cl)ccc2C(=O)[O-])c1 ZINC000004201495 567189295 /nfs/dbraw/zinc/18/92/95/567189295.db2.gz XZRPLHHRCXYIGK-UHFFFAOYSA-N -1 0 289.718 3.599 50 0 CHAARM O=C([O-])CCCc1c2ccccc2[nH]c1-c1ccccn1 ZINC000004137065 567189878 /nfs/dbraw/zinc/18/98/78/567189878.db2.gz OTJKGBQLRICAAV-UHFFFAOYSA-N -1 0 280.327 3.637 50 0 CHAARM O=C([O-])c1cccnc1Sc1ccc(Cl)cc1 ZINC000000131947 567819272 /nfs/dbraw/zinc/81/92/72/567819272.db2.gz FPKVNUOJWZFDNZ-UHFFFAOYSA-N -1 0 265.721 3.584 50 0 CHAARM O=C([O-])c1ccc(CSc2nc3ccccc3o2)cc1 ZINC000000133899 567819711 /nfs/dbraw/zinc/81/97/11/567819711.db2.gz XCKAGLDDLJTRBV-UHFFFAOYSA-N -1 0 285.324 3.818 50 0 CHAARM Cc1ccc(-n2nc(-c3cccs3)cc2C(=O)[O-])cc1 ZINC000000324066 567825367 /nfs/dbraw/zinc/82/53/67/567825367.db2.gz AYTZYVJMWLADLK-UHFFFAOYSA-N -1 0 284.340 3.607 50 0 CHAARM COc1cc(Cl)ccc1NC(=O)Nc1ccccc1O ZINC000000400419 567829231 /nfs/dbraw/zinc/82/92/31/567829231.db2.gz IYODSFWRYWPVSR-UHFFFAOYSA-N -1 0 292.722 3.698 50 0 CHAARM O=C(Nc1ccccc1Cl)c1cc(Cl)ccc1[O-] ZINC000001689027 567841873 /nfs/dbraw/zinc/84/18/73/567841873.db2.gz MICXLNBRHZDDBX-UHFFFAOYSA-N -1 0 282.126 3.951 50 0 CHAARM O=C([O-])c1cc(-c2ccc(O)cc2)nc2c(Cl)cccc12 ZINC000002521431 567847552 /nfs/dbraw/zinc/84/75/52/567847552.db2.gz VQWCJKMPDARDGI-UHFFFAOYSA-N -1 0 299.713 3.959 50 0 CHAARM O=C([O-])CCCCC(=O)c1ccc(C(F)(F)F)cc1 ZINC000002579916 567848517 /nfs/dbraw/zinc/84/85/17/567848517.db2.gz VJPZGTYFYCGMDS-UHFFFAOYSA-N -1 0 274.238 3.533 50 0 CHAARM Fc1ccccc1-c1n[nH]c(=S)n1CCc1ccccc1 ZINC000003246535 567851910 /nfs/dbraw/zinc/85/19/10/567851910.db2.gz ARNMRQBSYYUBRS-UHFFFAOYSA-N -1 0 299.374 3.989 50 0 CHAARM CC1(C)[C@H](c2nc3ccccc3[nH]2)CC[C@]1(C)C(=O)[O-] ZINC000003613694 567853211 /nfs/dbraw/zinc/85/32/11/567853211.db2.gz CBFUDFNIKRRVDP-MGPLVRAMSA-N -1 0 272.348 3.557 50 0 CHAARM Cc1ccccc1Cn1c2ccccc2c(C=O)c1C(=O)[O-] ZINC000004636228 567858668 /nfs/dbraw/zinc/85/86/68/567858668.db2.gz UCZWIBXZFWOTKF-UHFFFAOYSA-N -1 0 293.322 3.509 50 0 CHAARM Cc1ccc(Sc2ccc(/C=C/C(=O)[O-])o2)cc1 ZINC000225967204 567859671 /nfs/dbraw/zinc/85/96/71/567859671.db2.gz WQFNBXGHXBYKRN-XBXARRHUSA-N -1 0 260.314 3.837 50 0 CHAARM O=C([O-])c1ccc2[nH]c(-c3cccc(Cl)c3)nc2c1 ZINC000015022107 567870397 /nfs/dbraw/zinc/87/03/97/567870397.db2.gz CMXJACFXYBTVAJ-UHFFFAOYSA-N -1 0 272.691 3.582 50 0 CHAARM O=C([O-])c1cccnc1SCc1ccc(Cl)s1 ZINC000019408627 567877849 /nfs/dbraw/zinc/87/78/49/567877849.db2.gz MAKRHBXYOQHAGQ-UHFFFAOYSA-N -1 0 285.777 3.787 50 0 CHAARM O=C([O-])c1cccc(-c2cnc(Oc3ccccc3)nc2)c1 ZINC000032918498 567886489 /nfs/dbraw/zinc/88/64/89/567886489.db2.gz PJYRKPKKJRAYAM-UHFFFAOYSA-N -1 0 292.294 3.634 50 0 CHAARM CCOc1cccc(/C=C/C(=O)[O-])c1OC1CCCCC1 ZINC000036986139 567890034 /nfs/dbraw/zinc/89/00/34/567890034.db2.gz COUZHCLJVOYYMR-VAWYXSNFSA-N -1 0 290.359 3.895 50 0 CHAARM CC(C)(C)c1ccc(-c2cc(C(=O)[O-])ccn2)cc1 ZINC000041325415 567891390 /nfs/dbraw/zinc/89/13/90/567891390.db2.gz YOVPEGIHXKWZTA-UHFFFAOYSA-N -1 0 255.317 3.744 50 0 CHAARM Cn1c2ccccc2c(-c2ccccc2)c1C(=O)[O-] ZINC000042784256 567891922 /nfs/dbraw/zinc/89/19/22/567891922.db2.gz ZPUSQIWNVXTSPW-UHFFFAOYSA-N -1 0 251.285 3.544 50 0 CHAARM COc1cc(Cl)ccc1C(=O)CCCCCCC(=O)[O-] ZINC000043214168 567892425 /nfs/dbraw/zinc/89/24/25/567892425.db2.gz VARFQWMMAJYRLI-UHFFFAOYSA-N -1 0 298.766 3.957 50 0 CHAARM COc1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000065349989 567898672 /nfs/dbraw/zinc/89/86/72/567898672.db2.gz QNPGXMVJFHHOOD-UHFFFAOYSA-N -1 0 262.692 3.714 50 0 CHAARM Cc1occ(-c2ccc(C(F)(F)F)cc2)c1C(=O)[O-] ZINC000725246861 567908421 /nfs/dbraw/zinc/90/84/21/567908421.db2.gz ZEDWKMTWQIVNCB-UHFFFAOYSA-N -1 0 270.206 3.972 50 0 CHAARM O=C([O-])c1c(-c2ccc(F)cc2F)coc1C1CC1 ZINC000725246736 567908539 /nfs/dbraw/zinc/90/85/39/567908539.db2.gz UZUIQPVSTUOKEZ-UHFFFAOYSA-N -1 0 264.227 3.800 50 0 CHAARM O=C([O-])c1cc(Cl)ccc1NC(=O)Nc1ccccc1 ZINC000042320976 567915775 /nfs/dbraw/zinc/91/57/75/567915775.db2.gz UOZRYRRBMIFWMO-UHFFFAOYSA-N -1 0 290.706 3.682 50 0 CHAARM Cc1ccc(-n2nc(C(=O)[O-])cc2-c2ccccc2)cc1 ZINC000000198419 567925024 /nfs/dbraw/zinc/92/50/24/567925024.db2.gz ZQCKHZYYTPVCSB-UHFFFAOYSA-N -1 0 278.311 3.546 50 0 CHAARM Cc1cc(C(=O)[O-])c(NC(=O)c2ccc(Cl)cc2)s1 ZINC000000498506 567940218 /nfs/dbraw/zinc/94/02/18/567940218.db2.gz YFDOKEVVHSXUTQ-UHFFFAOYSA-N -1 0 295.747 3.660 50 0 CHAARM O=C([O-])C1(CC(=O)Nc2cccc(Cl)c2)CCCCC1 ZINC000013250141 567941388 /nfs/dbraw/zinc/94/13/88/567941388.db2.gz YNCZZOAQLASBIT-UHFFFAOYSA-N -1 0 295.766 3.704 50 0 CHAARM C[C@H](c1ccccc1)[C@@H](CC(=O)[O-])C(=O)Nc1ccccc1 ZINC000012383790 567954103 /nfs/dbraw/zinc/95/41/03/567954103.db2.gz ZUSGNHXVBOLLKW-CZUORRHYSA-N -1 0 297.354 3.520 50 0 CHAARM O=C([O-])C[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000011628960 570219776 /nfs/dbraw/zinc/21/97/76/570219776.db2.gz CQGBVRBAVJLFOM-CQSZACIVSA-N -1 0 260.720 3.947 50 0 CHAARM C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000011893763 570221105 /nfs/dbraw/zinc/22/11/05/570221105.db2.gz CHESPMUHLLVPAV-YFKPBYRVSA-N -1 0 251.134 3.559 50 0 CHAARM CC(C)[C@@H]1CC[C@H](C)C(=C([O-])c2ccccc2)C1=O ZINC000000387814 570314175 /nfs/dbraw/zinc/31/41/75/570314175.db2.gz VPTKSNILIUZETI-AEGPPILISA-N -1 0 258.361 3.757 50 0 CHAARM O=C([O-])[C@@H](Nc1ccc(Cl)cc1)c1ccccc1 ZINC000004253352 570351135 /nfs/dbraw/zinc/35/11/35/570351135.db2.gz DPUWGZGZBBLNHZ-ZDUSSCGKSA-N -1 0 261.708 3.578 50 0 CHAARM O=C([O-])[C@@H](CCc1ccccc1)Cc1ccccc1 ZINC000071772081 570357786 /nfs/dbraw/zinc/35/77/86/570357786.db2.gz YQADLVQOGPHNAK-INIZCTEOSA-N -1 0 254.329 3.563 50 0 CHAARM CC(C)(C)c1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000041722489 957391759 /nfs/dbraw/zinc/39/17/59/957391759.db2.gz CLTHOEFLUVUZAW-UHFFFAOYSA-N -1 0 261.346 3.806 50 0 CHAARM Cc1ccc(Cc2ccccc2C(=O)[O-])cc1Cl ZINC000000275145 1129740824 /nfs/dbraw/zinc/74/08/24/1129740824.db2.gz OGMSWHLBDVEYFP-UHFFFAOYSA-N -1 0 260.720 3.937 50 0 CHAARM Cc1cc(C)c(C=NNc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000254705146 1129705964 /nfs/dbraw/zinc/70/59/64/1129705964.db2.gz ZBYDDCWGVOFUEC-UHFFFAOYSA-N -1 0 282.343 3.756 50 0 CHAARM O=C([O-])c1sc(-c2ccccc2)nc1C(F)(F)F ZINC000004073483 230368542 /nfs/dbraw/zinc/36/85/42/230368542.db2.gz YQIRASZRRDKWSG-UHFFFAOYSA-N -1 0 273.235 3.527 50 0 CHAARM CC(C)C(=O)Nc1scc(-c2ccccc2)c1C(=O)[O-] ZINC000000314311 169605794 /nfs/dbraw/zinc/60/57/94/169605794.db2.gz YADIQIODLCTFGA-UHFFFAOYSA-N -1 0 289.356 3.708 50 0 CHAARM CCOc1cc(/C=C/C(=O)[O-])ccc1OCc1ccccc1 ZINC000002578532 184528149 /nfs/dbraw/zinc/52/81/49/184528149.db2.gz ZRGFXHPPBGPRIU-PKNBQFBNSA-N -1 0 298.338 3.762 50 0 CHAARM O=C([O-])[C@H](CC(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000001397624 169701219 /nfs/dbraw/zinc/70/12/19/169701219.db2.gz PMMZTHWHCZULAV-CQSZACIVSA-N -1 0 288.730 3.781 50 0 CHAARM C[C@@H]1CCCN(C(=O)c2cc(Cl)c([O-])c(Cl)c2)C1 ZINC000006509475 533668518 /nfs/dbraw/zinc/66/85/18/533668518.db2.gz RWMOFSYJCLOSNZ-MRVPVSSYSA-N -1 0 288.174 3.571 50 0 CHAARM O=C([O-])[C@H](Oc1ccccc1Cl)c1ccccc1 ZINC000002017923 169768212 /nfs/dbraw/zinc/76/82/12/169768212.db2.gz RAZABXQTXNREAC-CYBMUJFWSA-N -1 0 262.692 3.545 50 0 CHAARM O=C([O-])[C@H]1CCC[C@@H](CC(=O)c2ccc(Cl)cc2)C1 ZINC000002378423 169788062 /nfs/dbraw/zinc/78/80/62/169788062.db2.gz XINNVJVACLFOKY-PWSUYJOCSA-N -1 0 280.751 3.804 50 0 CHAARM O=C([O-])C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000003864767 169917822 /nfs/dbraw/zinc/91/78/22/169917822.db2.gz APWLCUAAISKVPI-ZPVISIIKSA-N -1 0 256.345 3.609 50 0 CHAARM O=C([O-])c1cc(Cl)ccc1NC(=O)C1CCCCC1 ZINC000004695640 170000529 /nfs/dbraw/zinc/00/05/29/170000529.db2.gz NOBGCUVSPVJKIE-UHFFFAOYSA-N -1 0 281.739 3.557 50 0 CHAARM Cc1c(Cl)ccc2c(Cl)c(C(=O)[O-])cnc12 ZINC000005010794 170055389 /nfs/dbraw/zinc/05/53/89/170055389.db2.gz AZGIWYJURIUNEM-UHFFFAOYSA-N -1 0 256.088 3.548 50 0 CHAARM O=C([O-])c1ccc(Cl)c(NCc2cccs2)c1 ZINC000005019548 170056479 /nfs/dbraw/zinc/05/64/79/170056479.db2.gz GAQBFHCVQQXSMW-UHFFFAOYSA-N -1 0 267.737 3.712 50 0 CHAARM CC(C)c1ccccc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000005413913 170095714 /nfs/dbraw/zinc/09/57/14/170095714.db2.gz CCYFHZVZJDVQRA-ZIAGYGMSSA-N -1 0 289.375 3.640 50 0 CHAARM CC(C)c1ccccc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000005413910 170095928 /nfs/dbraw/zinc/09/59/28/170095928.db2.gz CCYFHZVZJDVQRA-KGLIPLIRSA-N -1 0 289.375 3.640 50 0 CHAARM Cc1ccccc1-c1c(C)oc2cc([O-])ccc2c1=O ZINC000005730811 170134673 /nfs/dbraw/zinc/13/46/73/170134673.db2.gz ZGYGAINWBYACRH-UHFFFAOYSA-N -1 0 266.296 3.782 50 0 CHAARM CCc1ccccc1-n1c(=S)[n-]nc1-c1ccncc1 ZINC000006492185 170205883 /nfs/dbraw/zinc/20/58/83/170205883.db2.gz SWYMHXKTXCDIGL-UHFFFAOYSA-N -1 0 282.372 3.554 50 0 CHAARM CCCCCOc1ccc(Br)cc1C(=O)[O-] ZINC000006778198 170243103 /nfs/dbraw/zinc/24/31/03/170243103.db2.gz YYEDWMFBBMTXFJ-UHFFFAOYSA-N -1 0 287.153 3.716 50 0 CHAARM O=C([O-])c1cc(Cl)ccc1OCc1ccccc1F ZINC000007603995 170293027 /nfs/dbraw/zinc/29/30/27/170293027.db2.gz CRMIZRYPUJTRSG-UHFFFAOYSA-N -1 0 280.682 3.756 50 0 CHAARM O=c1[nH]c2ccc(Cl)cc2c([O-])c1-c1ccccc1 ZINC000008578565 170341262 /nfs/dbraw/zinc/34/12/62/170341262.db2.gz LTEXAOXVPRQIQP-UHFFFAOYSA-N -1 0 271.703 3.554 50 0 CHAARM Cc1n[n-]c(NC2CCCCCCCCCCC2)nc1=O ZINC000008768271 170354557 /nfs/dbraw/zinc/35/45/57/170354557.db2.gz WIRWPPCPIIFZQE-UHFFFAOYSA-N -1 0 292.427 3.559 50 0 CHAARM COc1ccc(/C(=C\c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000011593252 170424385 /nfs/dbraw/zinc/42/43/85/170424385.db2.gz IXQZHRKDPRWGLQ-XNTDXEJSSA-N -1 0 288.730 3.974 50 0 CHAARM CCO[N-]C(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000012848998 170514192 /nfs/dbraw/zinc/51/41/92/170514192.db2.gz CXMCWJMJISTXDS-HNNXBMFYSA-N -1 0 287.384 3.588 50 0 CHAARM CCc1cccc(NC(=O)CC2(C(=O)[O-])CCCCC2)c1 ZINC000013249245 170541346 /nfs/dbraw/zinc/54/13/46/170541346.db2.gz NRYSMVNLSFKWMV-UHFFFAOYSA-N -1 0 289.375 3.613 50 0 CHAARM CC1CCN(Cc2cc(Cl)c([O-])c(Cl)c2)CC1 ZINC000020413090 171183080 /nfs/dbraw/zinc/18/30/80/171183080.db2.gz PWNTVHKRVRCOSH-UHFFFAOYSA-N -1 0 274.191 3.931 50 0 CHAARM CC(C)n1ncc2c1nc(-c1ccccc1F)cc2C(=O)[O-] ZINC000022224298 171379942 /nfs/dbraw/zinc/37/99/42/171379942.db2.gz MLDCSHBUAJRQJR-UHFFFAOYSA-N -1 0 299.305 3.517 50 0 CHAARM CC(C)CC[C@@H](C)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000039975571 174180049 /nfs/dbraw/zinc/18/00/49/174180049.db2.gz CQOVWFSGECWKMH-SNVBAGLBSA-N -1 0 269.772 3.600 50 0 CHAARM O=C([O-])CCn1ccc2cc(OCc3ccccc3)ccc21 ZINC000040162956 174196987 /nfs/dbraw/zinc/19/69/87/174196987.db2.gz VGRZZZKWULRNPM-UHFFFAOYSA-N -1 0 295.338 3.695 50 0 CHAARM CC(C)(CC(=O)c1cccc2ccccc21)C(=O)[O-] ZINC000043214219 174984499 /nfs/dbraw/zinc/98/44/99/174984499.db2.gz YCFUPRNLZWUAAJ-UHFFFAOYSA-N -1 0 256.301 3.523 50 0 CHAARM O=C([O-])[C@@H]1CCCC[C@@H]1CC(=O)c1ccc(Cl)cc1 ZINC000043879320 175116090 /nfs/dbraw/zinc/11/60/90/175116090.db2.gz PZKWNHCRQTZIHT-DGCLKSJQSA-N -1 0 280.751 3.804 50 0 CHAARM O=C([O-])[C@@H]1CCCC[C@H]1CC(=O)c1cccc(Cl)c1 ZINC000043879386 175116170 /nfs/dbraw/zinc/11/61/70/175116170.db2.gz VUDOUWMBJSNIEY-GXFFZTMASA-N -1 0 280.751 3.804 50 0 CHAARM Cc1cccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000044253138 175156477 /nfs/dbraw/zinc/15/64/77/175156477.db2.gz KABLMVQMBNCMEB-UHFFFAOYSA-N -1 0 299.754 3.588 50 0 CHAARM CC(C)c1nc(/C=C\c2cccs2)ncc1C(=O)[O-] ZINC000255545456 326992119 /nfs/dbraw/zinc/99/21/19/326992119.db2.gz KCSTVEOFJQMWQP-WAYWQWQTSA-N -1 0 274.345 3.530 50 0 CHAARM O=C([O-])c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000000505566 567832889 /nfs/dbraw/zinc/83/28/89/567832889.db2.gz HAJZIYOAOZVAIJ-UHFFFAOYSA-N -1 0 262.692 3.617 50 0 CHAARM CCC(CC)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(=O)[O-] ZINC000072233674 567922755 /nfs/dbraw/zinc/92/27/55/567922755.db2.gz XWSNHYHGZYOUTP-QWHCGFSZSA-N -1 0 299.411 3.523 50 0 CHAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C)c(Cl)c1 ZINC000025365148 566837833 /nfs/dbraw/zinc/83/78/33/566837833.db2.gz YSWDESNIRVJNJH-UHFFFAOYSA-N -1 0 295.791 3.758 50 0 CHAARM O=C([O-])c1nc(C(F)(F)F)ccc1-c1cccc(F)c1 ZINC000047206352 566889094 /nfs/dbraw/zinc/88/90/94/566889094.db2.gz ATMPKSXOIRBAAX-UHFFFAOYSA-N -1 0 285.196 3.605 50 0 CHAARM O=C([O-])c1ccc(OCc2ccc(F)c(F)c2)c(Cl)c1 ZINC000113670516 566984454 /nfs/dbraw/zinc/98/44/54/566984454.db2.gz DKQBMLLBSPXXDM-UHFFFAOYSA-N -1 0 298.672 3.895 50 0 CHAARM C[C@@]1(C(=O)[O-])CC2c3ccccc3C1c1ccccc12 ZINC000034143867 566984805 /nfs/dbraw/zinc/98/48/05/566984805.db2.gz NRUFZVGNVQBKSX-LEOMRAHMSA-N -1 0 264.324 3.758 50 0 CHAARM O=C([O-])CCCCSc1nc2ccccc2s1 ZINC000002491382 566985043 /nfs/dbraw/zinc/98/50/43/566985043.db2.gz QGZRYLFRUJLIJX-UHFFFAOYSA-N -1 0 267.375 3.643 50 0 CHAARM CC(C)c1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000004542517 566986577 /nfs/dbraw/zinc/98/65/77/566986577.db2.gz YJSINRLZEAJBFC-UHFFFAOYSA-N -1 0 283.327 3.761 50 0 CHAARM C[C@@H](C(=O)[O-])c1ccc2c(c1)CC(=O)c1ccccc1S2 ZINC000003875311 567040802 /nfs/dbraw/zinc/04/08/02/567040802.db2.gz MUXFZBHBYYYLTH-SNVBAGLBSA-N -1 0 298.363 3.765 50 0 world CHAARM CCCCCCOc1cc(C)c(C#N)cc1C(=O)[O-] ZINC000039932911 567199233 /nfs/dbraw/zinc/19/92/33/567199233.db2.gz ZLWQHOOFYJKNPD-UHFFFAOYSA-N -1 0 261.321 3.524 50 0 CHAARM CC(C)c1cc(=O)n(-c2ccc(Cl)c(Cl)c2)[n-]1 ZINC000100868266 567217397 /nfs/dbraw/zinc/21/73/97/567217397.db2.gz DITMUCWQYLWEFA-UHFFFAOYSA-N -1 0 271.147 3.742 50 0 CHAARM Cc1cc(Oc2ncccc2C(=O)[O-])cc(C)c1Cl ZINC000000091926 567818113 /nfs/dbraw/zinc/81/81/13/567818113.db2.gz GSFYJKUKONWFBO-UHFFFAOYSA-N -1 0 277.707 3.842 50 0 CHAARM Cc1cc(C(=O)c2ccccc2C(=O)[O-])c(C)c(C)c1C ZINC000000137518 567819758 /nfs/dbraw/zinc/81/97/58/567819758.db2.gz TXWLUPQZHZCEDT-UHFFFAOYSA-N -1 0 282.339 3.849 50 0 CHAARM O=C([O-])c1cccnc1SCc1ccccc1Cl ZINC000000216095 567822341 /nfs/dbraw/zinc/82/23/41/567822341.db2.gz SJDXALOFYAUFFG-UHFFFAOYSA-N -1 0 279.748 3.726 50 0 CHAARM O=C([O-])c1ccccc1C(=O)c1cccc2ccccc21 ZINC000000236302 567822820 /nfs/dbraw/zinc/82/28/20/567822820.db2.gz OXCYAVHGYGKEJY-UHFFFAOYSA-N -1 0 276.291 3.769 50 0 CHAARM O=C(Nc1ccc2[n-]c(=S)sc2c1)c1ccccc1 ZINC000000273534 567823681 /nfs/dbraw/zinc/82/36/81/567823681.db2.gz SHXZWSLYYMNABN-UHFFFAOYSA-N -1 0 286.381 3.837 50 0 CHAARM O=C([O-])CCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000000318832 567825340 /nfs/dbraw/zinc/82/53/40/567825340.db2.gz FIXOHABRIXQDMY-UHFFFAOYSA-N -1 0 250.681 3.617 50 0 CHAARM O=C([O-])c1ccccc1COc1ccccc1Cl ZINC000000381994 567827932 /nfs/dbraw/zinc/82/79/32/567827932.db2.gz JCXZPOKVGCJMCQ-UHFFFAOYSA-N -1 0 262.692 3.617 50 0 CHAARM O=C([O-])c1c2ccccc2nc2c1CCc1ccccc1-2 ZINC000000411613 567829596 /nfs/dbraw/zinc/82/95/96/567829596.db2.gz QWNOQAWEROHNNQ-UHFFFAOYSA-N -1 0 275.307 3.699 50 0 CHAARM Cc1ccc(SCc2ccc(C(=O)[O-])cc2)cc1 ZINC000000581578 567834002 /nfs/dbraw/zinc/83/40/02/567834002.db2.gz RNXLFHYARAUOQF-UHFFFAOYSA-N -1 0 258.342 3.986 50 0 CHAARM O=C([O-])c1sc2ncccc2c1OCc1ccccc1 ZINC000001391290 567836964 /nfs/dbraw/zinc/83/69/64/567836964.db2.gz GNYNDOBHVHXTIC-UHFFFAOYSA-N -1 0 285.324 3.574 50 0 CHAARM O=C([O-])c1cc(-c2ccncc2)nc2ccc(Cl)cc21 ZINC000002521454 567847369 /nfs/dbraw/zinc/84/73/69/567847369.db2.gz FUVYVTRILLYVLA-UHFFFAOYSA-N -1 0 284.702 3.648 50 0 CHAARM Cc1ccc2nc(-c3cccc(O)c3)cc(C(=O)[O-])c2c1 ZINC000002521444 567847396 /nfs/dbraw/zinc/84/73/96/567847396.db2.gz GSROLMPDPXBJPI-UHFFFAOYSA-N -1 0 279.295 3.614 50 0 CHAARM Cc1ccc2c(C(=O)[O-])cc(-c3ccccn3)nc2c1C ZINC000002521468 567847517 /nfs/dbraw/zinc/84/75/17/567847517.db2.gz IEZVIRHUFVIBLD-UHFFFAOYSA-N -1 0 278.311 3.612 50 0 CHAARM Cc1c(Cl)ccc2c(C(=O)[O-])cc(-c3ccccn3)nc12 ZINC000002521469 567847525 /nfs/dbraw/zinc/84/75/25/567847525.db2.gz CLNUJZLCVCZKFW-UHFFFAOYSA-N -1 0 298.729 3.957 50 0 CHAARM CC(C)OC(=O)c1cccc(-c2cccc(C(=O)[O-])c2)c1 ZINC000002528967 567847857 /nfs/dbraw/zinc/84/78/57/567847857.db2.gz YAKLXVIMPZGSIR-UHFFFAOYSA-N -1 0 284.311 3.617 50 0 CHAARM CCOc1ccccc1C(=O)CCCCCCC(=O)[O-] ZINC000002579972 567848350 /nfs/dbraw/zinc/84/83/50/567848350.db2.gz UMGLFIMBYJUUAJ-UHFFFAOYSA-N -1 0 278.348 3.693 50 0 CHAARM O=C([O-])/C=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002569907 567848399 /nfs/dbraw/zinc/84/83/99/567848399.db2.gz IZKCKOPHMWHBHR-OWOJBTEDSA-N -1 0 284.155 3.822 50 0 CHAARM O=C([O-])CCCCCC(=O)c1ccc(C(F)(F)F)cc1 ZINC000002579917 567848529 /nfs/dbraw/zinc/84/85/29/567848529.db2.gz MENCMQVBLGYUKX-UHFFFAOYSA-N -1 0 288.265 3.923 50 0 CHAARM O=C([O-])c1cccnc1Oc1ccc(Cl)cc1Cl ZINC000003604945 567853114 /nfs/dbraw/zinc/85/31/14/567853114.db2.gz OEDCZDYPFJEWIH-UHFFFAOYSA-N -1 0 284.098 3.879 50 0 CHAARM Cc1c(C(=O)[O-])sc2nc(C)cc(C(F)(F)F)c12 ZINC000003888721 567854259 /nfs/dbraw/zinc/85/42/59/567854259.db2.gz LNZIYUHBIAJPDP-UHFFFAOYSA-N -1 0 275.251 3.630 50 0 CHAARM Cc1cc(C)c2nc(-c3ccco3)cc(C(=O)[O-])c2c1 ZINC000004174839 567855919 /nfs/dbraw/zinc/85/59/19/567855919.db2.gz NASQRPYCEFNUAQ-UHFFFAOYSA-N -1 0 267.284 3.810 50 0 CHAARM O=C([O-])C1(Oc2ccc(Cl)cc2)CCCCC1 ZINC000003631768 567860131 /nfs/dbraw/zinc/86/01/31/567860131.db2.gz XRQXJWMGDYGCDU-UHFFFAOYSA-N -1 0 254.713 3.506 50 0 CHAARM O=C([O-])c1ccccc1[S@@](=O)c1ccc2ccccc2c1 ZINC000008648612 567860966 /nfs/dbraw/zinc/86/09/66/567860966.db2.gz SKSPJIUSDQZVKQ-OAQYLSRUSA-N -1 0 296.347 3.705 50 0 CHAARM CCSc1ccc(-c2cncc(C(=O)[O-])c2)cc1 ZINC000012955810 567864216 /nfs/dbraw/zinc/86/42/16/567864216.db2.gz BUDXATGEJLFVIU-UHFFFAOYSA-N -1 0 259.330 3.559 50 0 CHAARM CCCCc1ccc(C(=O)C[C@@H](C)CC(=O)[O-])cc1 ZINC000015441769 567870581 /nfs/dbraw/zinc/87/05/81/567870581.db2.gz JIJAHSARWNVTJE-GFCCVEGCSA-N -1 0 262.349 3.713 50 0 CHAARM Cc1cc(C)c2cc3cc(C(=O)[O-])sc3nc2c1 ZINC000019569414 567877752 /nfs/dbraw/zinc/87/77/52/567877752.db2.gz BAIILRGRTJCAJV-UHFFFAOYSA-N -1 0 257.314 3.765 50 0 CHAARM Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)[O-] ZINC000019948266 567880146 /nfs/dbraw/zinc/88/01/46/567880146.db2.gz DAGSZCZSBHHHSW-UHFFFAOYSA-N -1 0 272.087 3.655 50 0 CHAARM CCCCc1ccc(Nc2nc(CC(=O)[O-])cs2)cc1 ZINC000003902651 567884397 /nfs/dbraw/zinc/88/43/97/567884397.db2.gz VDMVUEDUXDDGSA-UHFFFAOYSA-N -1 0 290.388 3.856 50 0 CHAARM CC(C)(C)c1ccc(C(=O)CC(C)(C)C(=O)[O-])cc1 ZINC000043214246 567892398 /nfs/dbraw/zinc/89/23/98/567892398.db2.gz YUICPAZCDYDUFL-UHFFFAOYSA-N -1 0 262.349 3.668 50 0 CHAARM Cc1oc(-c2ccc(Cl)cc2Cl)nc1C(=O)[O-] ZINC000051075508 567893994 /nfs/dbraw/zinc/89/39/94/567893994.db2.gz CJLLGUGBZRMWIT-UHFFFAOYSA-N -1 0 272.087 3.655 50 0 CHAARM O=C([O-])c1cc(F)cc(-c2ccccc2Cl)c1 ZINC000065350305 567898565 /nfs/dbraw/zinc/89/85/65/567898565.db2.gz VPNWVZMPKJJAQB-UHFFFAOYSA-N -1 0 250.656 3.844 50 0 CHAARM CSc1ccc(-c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000065350873 567898738 /nfs/dbraw/zinc/89/87/38/567898738.db2.gz QHLAMQHFOKXKMB-UHFFFAOYSA-N -1 0 262.305 3.913 50 0 CHAARM COc1cc(Cl)ccc1-c1ccc(CC(=O)[O-])cc1 ZINC000074938282 567903655 /nfs/dbraw/zinc/90/36/55/567903655.db2.gz YMWMOVWNRDSQRK-UHFFFAOYSA-N -1 0 276.719 3.643 50 0 CHAARM O=c1c(C2CCCCC2)c([O-])c2cccc3c2n1CCC3 ZINC000100402263 567913131 /nfs/dbraw/zinc/91/31/31/567913131.db2.gz QOYCUCCSCRXJGX-UHFFFAOYSA-N -1 0 283.371 3.701 50 0 CHAARM Cc1ccccc1C(=O)C=C([O-])c1ccccc1C ZINC000100780514 567913830 /nfs/dbraw/zinc/91/38/30/567913830.db2.gz ATKAXTJKEOYCOI-UHFFFAOYSA-N -1 0 252.313 3.759 50 0 CHAARM CCC(CC)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(=O)[O-] ZINC000221031789 567925635 /nfs/dbraw/zinc/92/56/35/567925635.db2.gz XWSNHYHGZYOUTP-CHWSQXEVSA-N -1 0 299.411 3.523 50 0 CHAARM Cc1cc(=O)n(-c2c(Cl)cc(Cl)cc2Cl)[n-]1 ZINC000000173459 567931693 /nfs/dbraw/zinc/93/16/93/567931693.db2.gz MRQNFRMHWBTRGX-UHFFFAOYSA-N -1 0 277.538 3.759 50 0 CHAARM CC[C@H](C(=O)Nc1ccccc1C(=O)[O-])c1ccccc1 ZINC000000621170 567936694 /nfs/dbraw/zinc/93/66/94/567936694.db2.gz AVWXAXAJRWROND-ZDUSSCGKSA-N -1 0 283.327 3.517 50 0 CHAARM COc1ccc(-c2cc(=O)n(-c3ccccc3C)[n-]2)cc1 ZINC000018192627 567940389 /nfs/dbraw/zinc/94/03/89/567940389.db2.gz YHKTUBYTDHLVDY-UHFFFAOYSA-N -1 0 280.327 3.562 50 0 CHAARM CCCCCn1c(=O)c2cc(C)sc2[n-]c1=S ZINC000016991479 570226380 /nfs/dbraw/zinc/22/63/80/570226380.db2.gz BYDXZQMKPNTVQS-UHFFFAOYSA-N -1 0 268.407 3.619 50 0 CHAARM O=c1c2ccccc2[n-]c(=S)n1C1CCCCCC1 ZINC000017007330 570226705 /nfs/dbraw/zinc/22/67/05/570226705.db2.gz KDSXJHCXONXDRQ-UHFFFAOYSA-N -1 0 274.389 3.954 50 0 CHAARM Cc1nc(Cc2cccc3ccccc32)sc1CC(=O)[O-] ZINC000036220994 570233533 /nfs/dbraw/zinc/23/35/33/570233533.db2.gz NZMRTIXYURELRX-UHFFFAOYSA-N -1 0 297.379 3.823 50 0 CHAARM O=C([O-])C[C@@H](c1ccc(F)cc1)C1CCCCC1 ZINC000036139889 570233540 /nfs/dbraw/zinc/23/35/40/570233540.db2.gz FMSZDMSJKLPQBW-CQSZACIVSA-N -1 0 250.313 3.964 50 0 CHAARM COc1ccc([C@@H](CC(=O)[O-])c2ccccc2)cc1Cl ZINC000036177797 570233590 /nfs/dbraw/zinc/23/35/90/570233590.db2.gz ZTHNROQWCPZUIT-ZDUSSCGKSA-N -1 0 290.746 3.955 50 0 CHAARM Cc1nc(-c2ccc(C(F)F)cc2)sc1C(=O)[O-] ZINC000150315077 570358520 /nfs/dbraw/zinc/35/85/20/570358520.db2.gz BGWYWKWPBBTQOG-UHFFFAOYSA-N -1 0 269.272 3.754 50 0 CHAARM Cc1cc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c(C)o1 ZINC000048806901 600481111 /nfs/dbraw/zinc/48/11/11/600481111.db2.gz ANDJLDZPEMMQBI-UHFFFAOYSA-N -1 0 293.706 3.500 50 0 CHAARM O=C([O-])c1ccccc1NC(=O)c1ccc(C2CC2)cc1 ZINC000585100283 953736137 /nfs/dbraw/zinc/73/61/37/953736137.db2.gz ORZXLLUGDDAIAJ-UHFFFAOYSA-N -1 0 281.311 3.515 50 0 CHAARM O=C([O-])c1ccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000003229374 1125680292 /nfs/dbraw/zinc/68/02/92/1125680292.db2.gz ZWBDYHJROOWSPZ-NTUHNPAUSA-N -1 0 299.713 3.531 50 0 CHAARM O=C([O-])c1ccc(/C=C2\C(=O)Nc3cc(Cl)ccc32)cc1 ZINC000033406668 1128521721 /nfs/dbraw/zinc/52/17/21/1128521721.db2.gz PUUNUAFTWRKKEA-QPEQYQDCSA-N -1 0 299.713 3.531 50 0 CHAARM O=C([O-])c1cccc(NN=Cc2cccc3ccccc23)c1 ZINC000013139677 1119776444 /nfs/dbraw/zinc/77/64/44/1119776444.db2.gz YEPCPEZPZQGHQC-UHFFFAOYSA-N -1 0 290.322 3.984 50 0 CHAARM Cc1ccccc1Nc1c(F)c(F)c(F)c(F)c1C(=O)[O-] ZINC000003651448 1121029512 /nfs/dbraw/zinc/02/95/12/1121029512.db2.gz ZPJUAISAYLNPKH-UHFFFAOYSA-N -1 0 299.223 3.993 50 0 CHAARM [O-]c1ccc(-c2n[nH]c(CCc3ccccc3)n2)cc1Cl ZINC000065494192 1123887420 /nfs/dbraw/zinc/88/74/20/1123887420.db2.gz XDDJXTSCESHPDI-UHFFFAOYSA-N -1 0 299.761 3.616 50 0 CHAARM O=C([O-])c1cc(NN=Cc2ccc(F)cc2)ccc1Cl ZINC000254342553 1129688453 /nfs/dbraw/zinc/68/84/53/1129688453.db2.gz KQKFEWVMOOTTJY-UHFFFAOYSA-N -1 0 292.697 3.623 50 0 CHAARM O=C([O-])c1ccc(Nc2nc(-c3ccncc3)cs2)cc1 ZINC000000088443 1129720694 /nfs/dbraw/zinc/72/06/94/1129720694.db2.gz WHRNHGVWRMJMTL-UHFFFAOYSA-N -1 0 297.339 3.647 50 0 CHAARM O=C([O-])CCc1ccc2ccccc2c1Br ZINC000000197086 1129733510 /nfs/dbraw/zinc/73/35/10/1129733510.db2.gz AEPSLJBFHVHPRS-UHFFFAOYSA-N -1 0 279.133 3.620 50 0 CHAARM Cc1ccccc1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000096467587 230378880 /nfs/dbraw/zinc/37/88/80/230378880.db2.gz BPRIJTMWHIOGHQ-UHFFFAOYSA-N -1 0 297.354 3.610 50 0 CHAARM COc1c2ccoc2ccc1C([O-])=CC(=O)c1ccccc1 ZINC000095615313 185016532 /nfs/dbraw/zinc/01/65/32/185016532.db2.gz XTLSKKJNOIMMBK-UHFFFAOYSA-N -1 0 294.306 3.897 50 0 biogenic,in-vitro CHAARM [O-]c1c(F)ccc(OCc2ccccc2)c1Cl ZINC000261494183 190039631 /nfs/dbraw/zinc/03/96/31/190039631.db2.gz ROFMPAATQGAHCB-UHFFFAOYSA-N -1 0 252.672 3.764 50 0 CHAARM O=C([O-])Cc1ccc(OCc2ccc(F)cc2)c(Cl)c1 ZINC000000395785 169629245 /nfs/dbraw/zinc/62/92/45/169629245.db2.gz KKXGLNWTKMTBHC-UHFFFAOYSA-N -1 0 294.709 3.685 50 0 CHAARM O=C([O-])[C@H](Cc1ccccc1)c1ccc(Cl)cc1 ZINC000002036201 169770381 /nfs/dbraw/zinc/77/03/81/169770381.db2.gz CUMMKZITYCLISM-CQSZACIVSA-N -1 0 260.720 3.751 50 0 CHAARM Cc1cc(C)c2nc(-c3ccccn3)cc(C(=O)[O-])c2c1 ZINC000002521466 169801419 /nfs/dbraw/zinc/80/14/19/169801419.db2.gz TZORFOZZBMQHCM-UHFFFAOYSA-N -1 0 278.311 3.612 50 0 CHAARM Cc1cccc(CSCc2ccc(C(=O)[O-])o2)c1 ZINC000002944829 169845579 /nfs/dbraw/zinc/84/55/79/169845579.db2.gz QLIIEYRSWGHQBN-UHFFFAOYSA-N -1 0 262.330 3.720 50 0 CHAARM Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)[O-] ZINC000003342700 169881296 /nfs/dbraw/zinc/88/12/96/169881296.db2.gz SQTBGJCIHOCSKY-UHFFFAOYSA-N -1 0 297.310 3.722 50 0 CHAARM COc1c(F)c(F)c(C(=O)[O-])c(Nc2ccccc2)c1F ZINC000003651451 169905999 /nfs/dbraw/zinc/90/59/99/169905999.db2.gz LXZOBIFBQUEAET-UHFFFAOYSA-N -1 0 297.232 3.554 50 0 CHAARM O=C([O-])[C@@]1(Cl)CC2c3ccccc3C1c1ccccc12 ZINC000004565691 169984427 /nfs/dbraw/zinc/98/44/27/169984427.db2.gz QOSMOEVXOHGGQR-VMBOVVBDSA-N -1 0 284.742 3.730 50 0 CHAARM COc1ccc(C(=O)[O-])cc1C12CC3CC(CC(C3)C1)C2 ZINC000004718122 170004599 /nfs/dbraw/zinc/00/45/99/170004599.db2.gz RWZRMETXJWTWQW-UHFFFAOYSA-N -1 0 286.371 3.861 50 0 CHAARM O=C([O-])C/C(=C\c1cccc(F)c1)c1nc2ccccc2o1 ZINC000005269508 170081632 /nfs/dbraw/zinc/08/16/32/170081632.db2.gz XWVOOIVEEGQZLD-XYOKQWHBSA-N -1 0 297.285 3.982 50 0 CHAARM Fc1ccc(-c2n[n-]c(=S)n2-c2ccc(F)cc2)cc1 ZINC000005589184 170116652 /nfs/dbraw/zinc/11/66/52/170116652.db2.gz ATGAVTDHMVBXRF-UHFFFAOYSA-N -1 0 289.310 3.875 50 0 CHAARM CC(C)CCC[C@@H](C)NC(=O)c1ccccc1[S-] ZINC000006509756 170208333 /nfs/dbraw/zinc/20/83/33/170208333.db2.gz LYVBOMHWUCLRQI-GFCCVEGCSA-N -1 0 265.422 3.920 50 0 CHAARM Cc1c([O-])ccc2c(=O)c(Oc3ccc(F)cc3)coc12 ZINC000006556310 170212720 /nfs/dbraw/zinc/21/27/20/170212720.db2.gz UWYRSSOEJKQRHU-UHFFFAOYSA-N -1 0 286.258 3.738 50 0 biogenic CHAARM O=C([O-])c1ccccc1Sc1ccc(F)c(F)c1 ZINC000006926871 170256289 /nfs/dbraw/zinc/25/62/89/170256289.db2.gz XIPLBHKETINVHG-UHFFFAOYSA-N -1 0 266.268 3.814 50 0 CHAARM Cc1cc(-c2cc(C(=O)[O-])c3c(C)noc3n2)c(C)s1 ZINC000008155939 170321920 /nfs/dbraw/zinc/32/19/20/170321920.db2.gz GYFFBITYMQOGDI-UHFFFAOYSA-N -1 0 288.328 3.575 50 0 CHAARM Cc1cc(C)c(NC(=O)CC2(C(=O)[O-])CCCC2)c(C)c1 ZINC000008745646 170353698 /nfs/dbraw/zinc/35/36/98/170353698.db2.gz MUXRYYVXOJMXBT-UHFFFAOYSA-N -1 0 289.375 3.585 50 0 CHAARM Cc1ccc(-c2cc(C(=O)[O-])n(Cc3ccccc3)n2)cc1 ZINC000008830872 170357169 /nfs/dbraw/zinc/35/71/69/170357169.db2.gz OTRPLYXESVAETE-UHFFFAOYSA-N -1 0 292.338 3.605 50 0 CHAARM Cc1ccc(CCC(=O)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000008906777 170358616 /nfs/dbraw/zinc/35/86/16/170358616.db2.gz LVOYPGATLGGBOL-UHFFFAOYSA-N -1 0 297.354 3.573 50 0 CHAARM Cc1nc([N-]c2nc3ccccc3s2)nc2c1CCC2 ZINC000009090001 170363423 /nfs/dbraw/zinc/36/34/23/170363423.db2.gz JIZLZFHLXYDEJX-UHFFFAOYSA-N -1 0 282.372 3.627 50 0 CHAARM Cc1ccc(Cn2cc(C(=O)[O-])c3ccccc32)cc1 ZINC000009239694 170368257 /nfs/dbraw/zinc/36/82/57/170368257.db2.gz WCENYNLOOHOOMC-UHFFFAOYSA-N -1 0 265.312 3.696 50 0 CHAARM Cc1ccc(OCc2ccccc2Cl)c(C(=O)[O-])c1 ZINC000013085567 170531085 /nfs/dbraw/zinc/53/10/85/170531085.db2.gz UGEZCVYVHQLDFB-UHFFFAOYSA-N -1 0 276.719 3.926 50 0 CHAARM Cc1c(NCc2ccc(Cl)cc2)cccc1C(=O)[O-] ZINC000020295773 171135770 /nfs/dbraw/zinc/13/57/70/171135770.db2.gz DONJKCNTHUNDNC-UHFFFAOYSA-N -1 0 275.735 3.959 50 0 CHAARM O=C([O-])c1ccc(COc2ccccc2C(F)(F)F)o1 ZINC000022220010 171377054 /nfs/dbraw/zinc/37/70/54/171377054.db2.gz HRSXMFCSXCKKGP-UHFFFAOYSA-N -1 0 286.205 3.576 50 0 CHAARM O=C([O-])[C@H](Sc1cc(F)ccc1F)c1ccccc1 ZINC000037374903 173164135 /nfs/dbraw/zinc/16/41/35/173164135.db2.gz NCFXQYTZUMZZCR-CYBMUJFWSA-N -1 0 280.295 3.883 50 0 CHAARM O=C([O-])c1ccc(-c2ccnc3[nH]ccc32)cc1Cl ZINC000072164653 176331342 /nfs/dbraw/zinc/33/13/42/176331342.db2.gz WCPIVZAERVRKEK-UHFFFAOYSA-N -1 0 272.691 3.582 50 0 CHAARM Cn1c(=O)c(-c2cccc(Cl)c2)c([O-])c2ccccc21 ZINC000100631237 534667601 /nfs/dbraw/zinc/66/76/01/534667601.db2.gz ZFUYYBNODMBJPS-UHFFFAOYSA-N -1 0 285.730 3.565 50 0 CHAARM CCC[C@H](C(=O)[O-])[C@@H](C)CC(=O)Nc1ccccc1Cl ZINC000001874014 527990441 /nfs/dbraw/zinc/99/04/41/527990441.db2.gz ANUOYPJLLANBOF-QWRGUYRKSA-N -1 0 297.782 3.806 50 0 CHAARM O=C([O-])CCC(=O)c1ccc2oc3ccccc3c2c1 ZINC000004216381 566855662 /nfs/dbraw/zinc/85/56/62/566855662.db2.gz LQVMQEYROPXMQH-UHFFFAOYSA-N -1 0 268.268 3.634 50 0 in-man CHAARM O=C([O-])Cc1nc(C(F)(F)F)ccc1-c1ccc(F)cc1 ZINC000047206734 566889714 /nfs/dbraw/zinc/88/97/14/566889714.db2.gz DQMFGMNVFKWYCF-UHFFFAOYSA-N -1 0 299.223 3.534 50 0 CHAARM O=C([O-])c1ncc(C(F)(F)F)cc1-c1cccc(F)c1 ZINC000047205270 566890233 /nfs/dbraw/zinc/89/02/33/566890233.db2.gz OJMUGXZMOMSINL-UHFFFAOYSA-N -1 0 285.196 3.605 50 0 CHAARM Cc1ccc(-c2nc(C)[n-]c(=O)c2Cl)c2cccnc12 ZINC000426658406 566990097 /nfs/dbraw/zinc/99/00/97/566990097.db2.gz OMNZVBNIJHNULK-UHFFFAOYSA-N -1 0 285.734 3.668 50 0 CHAARM Cc1oc(-c2ccc(OC(F)(F)F)cc2)cc1C(=O)[O-] ZINC000163971106 567093590 /nfs/dbraw/zinc/09/35/90/567093590.db2.gz SDGAVBTXZGZKGJ-UHFFFAOYSA-N -1 0 286.205 3.852 50 0 CHAARM CC[C@](C)(CC(=O)[O-])CC(=O)Nc1ccc(Cl)cc1 ZINC000000101079 567818216 /nfs/dbraw/zinc/81/82/16/567818216.db2.gz UBHQHOZRPUWLAC-AWEZNQCLSA-N -1 0 283.755 3.560 50 0 CHAARM O=S(=O)([N-]c1cccc2ccccc21)c1cccs1 ZINC000000156173 567820659 /nfs/dbraw/zinc/82/06/59/567820659.db2.gz QWMMZMCPCHWSCU-UHFFFAOYSA-N -1 0 289.381 3.702 50 0 CHAARM O=C([O-])c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000000156746 567820840 /nfs/dbraw/zinc/82/08/40/567820840.db2.gz ATAZLMGGQQLRBC-UHFFFAOYSA-N -1 0 257.072 3.952 50 0 in-vivo CHAARM COc1ccc(Oc2ccccc2CCC(=O)[O-])cc1 ZINC000000170441 567821534 /nfs/dbraw/zinc/82/15/34/567821534.db2.gz AXWBEDNZYYTKTB-UHFFFAOYSA-N -1 0 272.300 3.505 50 0 CHAARM O=C([O-])c1ccc(CSCc2ccccc2F)o1 ZINC000000266801 567823119 /nfs/dbraw/zinc/82/31/19/567823119.db2.gz RSESNYYJKLUSQA-UHFFFAOYSA-N -1 0 266.293 3.550 50 0 CHAARM CC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000000259195 567823363 /nfs/dbraw/zinc/82/33/63/567823363.db2.gz LUUIKXAZKBQFRZ-UHFFFAOYSA-N -1 0 297.354 3.935 50 0 CHAARM COc1ccc(SCc2ccccc2C(=O)[O-])cc1 ZINC000000389159 567828304 /nfs/dbraw/zinc/82/83/04/567828304.db2.gz HIZQVLVIALFQRW-UHFFFAOYSA-N -1 0 274.341 3.686 50 0 CHAARM COc1ccc2nc(-c3ccccc3)cc(C(=O)[O-])c2c1 ZINC000000409815 567829542 /nfs/dbraw/zinc/82/95/42/567829542.db2.gz AMQMKQXMOAQMSJ-UHFFFAOYSA-N -1 0 279.295 3.609 50 0 CHAARM CC1(C)C[C@H]([C@H](CC(=O)[O-])Cc2ccccc2)CCO1 ZINC000000519654 567833330 /nfs/dbraw/zinc/83/33/30/567833330.db2.gz YKPUDDGWRMLKKI-CABCVRRESA-N -1 0 276.376 3.525 50 0 biogenic,in-vitro CHAARM CC(C)(C)NC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000000786494 567834938 /nfs/dbraw/zinc/83/49/38/567834938.db2.gz ZVVMMLPPMSAYTJ-UHFFFAOYSA-N -1 0 297.354 3.580 50 0 CHAARM Cc1ccc(OCc2ccccc2C(=O)[O-])cc1C ZINC000001428306 567837123 /nfs/dbraw/zinc/83/71/23/567837123.db2.gz RSUJHHWCAZHBFN-UHFFFAOYSA-N -1 0 256.301 3.581 50 0 CHAARM CCCCCCOc1ccc(C(=O)CCC(=O)[O-])cc1 ZINC000002144855 567844789 /nfs/dbraw/zinc/84/47/89/567844789.db2.gz MNOIELCLJGGCGM-UHFFFAOYSA-N -1 0 278.348 3.693 50 0 biogenic CHAARM O=C([O-])c1ccccc1-c1ccc(Br)cc1 ZINC000002513023 567846504 /nfs/dbraw/zinc/84/65/04/567846504.db2.gz NTCVMUBIEDDKML-UHFFFAOYSA-N -1 0 277.117 3.814 50 0 CHAARM Cc1cc(C(=O)[O-])cc(C)c1OCc1ccccc1 ZINC000002564421 567848042 /nfs/dbraw/zinc/84/80/42/567848042.db2.gz JABUPJCJZZNUFK-UHFFFAOYSA-N -1 0 256.301 3.581 50 0 CHAARM O=C([O-])c1ccccc1Nc1ccc2ccccc2n1 ZINC000003156600 567851711 /nfs/dbraw/zinc/85/17/11/567851711.db2.gz ALXBXKJAVGIBDQ-UHFFFAOYSA-N -1 0 264.284 3.677 50 0 CHAARM Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[O-])cc1C ZINC000003426885 567852635 /nfs/dbraw/zinc/85/26/35/567852635.db2.gz MHEIVZUPCFKWOT-UHFFFAOYSA-N -1 0 292.338 3.854 50 0 CHAARM O=C([O-])c1cc(-c2ccccc2F)nc2ccccc21 ZINC000003883871 567854422 /nfs/dbraw/zinc/85/44/22/567854422.db2.gz DKOMWOZFQXNJAQ-UHFFFAOYSA-N -1 0 267.259 3.739 50 0 CHAARM O=C([O-])c1ccccc1Cc1nc2ccccc2s1 ZINC000004218292 567855818 /nfs/dbraw/zinc/85/58/18/567855818.db2.gz GUGMOJJRLDQPQR-UHFFFAOYSA-N -1 0 269.325 3.585 50 0 CHAARM O=C([O-])[C@@H]1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000004205791 567855944 /nfs/dbraw/zinc/85/59/44/567855944.db2.gz UYUNBKRWYMGAKX-VHSXEESVSA-N -1 0 261.346 3.655 50 0 CHAARM Cc1cc(-c2ccccc2)n(-c2ccc(C(=O)[O-])cc2)n1 ZINC000004228124 567856089 /nfs/dbraw/zinc/85/60/89/567856089.db2.gz TYEFETXBOCYRFT-UHFFFAOYSA-N -1 0 278.311 3.546 50 0 CHAARM O=C([O-])CC[C@@H]1CCCCCCCCCCC1=O ZINC000004276923 567856749 /nfs/dbraw/zinc/85/67/49/567856749.db2.gz ZWJHEHCSBAMCBQ-ZDUSSCGKSA-N -1 0 254.370 3.951 50 0 CHAARM CCc1cccc(C)c1NC(=O)c1ccccc1C(=O)[O-] ZINC000004542526 567858334 /nfs/dbraw/zinc/85/83/34/567858334.db2.gz HOLOWUHANUEGLO-UHFFFAOYSA-N -1 0 283.327 3.508 50 0 CHAARM O=C([O-])Cc1cc(Cl)ccc1Oc1ccccc1 ZINC000012336759 567862818 /nfs/dbraw/zinc/86/28/18/567862818.db2.gz PKMKNEIUKHPJAX-UHFFFAOYSA-N -1 0 262.692 3.759 50 0 CHAARM Cc1cc(F)ccc1NC(=O)c1ccc([O-])c(Cl)c1 ZINC000019840169 567879193 /nfs/dbraw/zinc/87/91/93/567879193.db2.gz UIUDKOASYILASR-UHFFFAOYSA-N -1 0 279.698 3.745 50 0 CHAARM O=C([O-])c1cc(Br)cc(-c2ccccc2)c1O ZINC000027099199 567883154 /nfs/dbraw/zinc/88/31/54/567883154.db2.gz HUQWWRUNBHYQLK-UHFFFAOYSA-N -1 0 293.116 3.520 50 0 in-vitro CHAARM O=C([O-])c1ccc(F)c(-c2ccc(Cl)cc2)c1 ZINC000032003349 567885689 /nfs/dbraw/zinc/88/56/89/567885689.db2.gz TYZFSSVNJLJWNY-UHFFFAOYSA-N -1 0 250.656 3.844 50 0 CHAARM COc1ccc(-c2cccc(C(=O)[O-])c2)cc1Cl ZINC000033428054 567886633 /nfs/dbraw/zinc/88/66/33/567886633.db2.gz OMNGOBJTDWDOJT-UHFFFAOYSA-N -1 0 262.692 3.714 50 0 CHAARM O=C([O-])c1sc(-c2cccnc2)nc1-c1ccccc1 ZINC000041439067 567891406 /nfs/dbraw/zinc/89/14/06/567891406.db2.gz ZVZHNRJKBGFMGC-UHFFFAOYSA-N -1 0 282.324 3.570 50 0 CHAARM Cc1cc(C)c(C2=C([O-])C3(CCCC3)OC2=O)c(C)c1 ZINC000043199379 567891938 /nfs/dbraw/zinc/89/19/38/567891938.db2.gz UWNPKBJDSGDYAU-UHFFFAOYSA-N -1 0 272.344 3.751 50 0 CHAARM Cc1nc(-c2ccc(Br)cc2)c(C(=O)[O-])s1 ZINC000057627746 567894907 /nfs/dbraw/zinc/89/49/07/567894907.db2.gz SDCYEXCIKYWMEP-UHFFFAOYSA-N -1 0 298.161 3.579 50 0 CHAARM COc1ccc(-c2cccc(CC(=O)[O-])c2)c(Cl)c1 ZINC000074938320 567903507 /nfs/dbraw/zinc/90/35/07/567903507.db2.gz LZVVTJZPQITTCW-UHFFFAOYSA-N -1 0 276.719 3.643 50 0 CHAARM C[P@](=O)([O-])[C@@H](c1cccc(Cl)c1)C(F)(F)F ZINC000000256169 567925578 /nfs/dbraw/zinc/92/55/78/567925578.db2.gz QHBUTWMUROQXIY-QMMMGPOBSA-N -1 0 272.590 3.844 50 0 CHAARM O=C([O-])[C@]1(c2ccccc2)CC[C@@H](Nc2ccccc2)C1 ZINC000000295337 567926368 /nfs/dbraw/zinc/92/63/68/567926368.db2.gz HTLWNNFFJOTFAH-SJLPKXTDSA-N -1 0 281.355 3.674 50 0 CHAARM CC(C)[C@@H]1CC[C@H](C)C(=C([O-])c2ccccc2)C1=O ZINC000000387815 567927993 /nfs/dbraw/zinc/92/79/93/567927993.db2.gz VPTKSNILIUZETI-QEJZJMRPSA-N -1 0 258.361 3.757 50 0 CHAARM O=c1c2c(nc3c(-c4ccc(Cl)cc4)c[n-]n31)CCCC2 ZINC000100642519 567928134 /nfs/dbraw/zinc/92/81/34/567928134.db2.gz GWWIKIUVSZYLLC-UHFFFAOYSA-N -1 0 299.761 3.634 50 0 CHAARM CCCc1cc(=O)n2[n-]cc(-c3ccc(Cl)cc3)c2n1 ZINC000100615496 567928184 /nfs/dbraw/zinc/92/81/84/567928184.db2.gz DUDHANRAJAQRNI-UHFFFAOYSA-N -1 0 287.750 3.708 50 0 CHAARM O=c1c2sccc2[n-]c(=S)n1C1CCCCC1 ZINC000000425412 567930394 /nfs/dbraw/zinc/93/03/94/567930394.db2.gz HBOBAOJCTJIBKG-UHFFFAOYSA-N -1 0 266.391 3.626 50 0 CHAARM CC[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000000621070 567936682 /nfs/dbraw/zinc/93/66/82/567936682.db2.gz VIZQRBBDKZBTNE-OAHLLOKOSA-N -1 0 283.327 3.517 50 0 CHAARM Cc1ccc([C@@]2(CC(=O)[O-])CCO[C@@H](C(C)C)C2)cc1 ZINC000000488608 567939655 /nfs/dbraw/zinc/93/96/55/567939655.db2.gz ZSAAYPTYOKXXHF-WBVHZDCISA-N -1 0 276.376 3.543 50 0 biogenic CHAARM O=C([O-])c1c2ccccc2nc2c1-c1ccccc1CC2 ZINC000018194408 567940422 /nfs/dbraw/zinc/94/04/22/567940422.db2.gz XVZLFYSVBJINQS-UHFFFAOYSA-N -1 0 275.307 3.699 50 0 CHAARM Cc1cccc(NC(=O)CC2(C(=O)[O-])CCCCC2)c1C ZINC000013249849 567941305 /nfs/dbraw/zinc/94/13/05/567941305.db2.gz SPEYUBZSYHHXLI-UHFFFAOYSA-N -1 0 289.375 3.667 50 0 CHAARM Cc1ccc(C(=O)[O-])cc1NCc1ccccc1Cl ZINC000015356863 567943803 /nfs/dbraw/zinc/94/38/03/567943803.db2.gz OFPXYKNDDKFPOW-UHFFFAOYSA-N -1 0 275.735 3.959 50 0 CHAARM CC[C@]1(C)C[C@@](CC(=O)[O-])(c2ccc(F)cc2)CCO1 ZINC000000367125 570265631 /nfs/dbraw/zinc/26/56/31/570265631.db2.gz RMZGDUOTDZVLFS-HZPDHXFCSA-N -1 0 280.339 3.517 50 0 CHAARM O=C([O-])c1cnc(-c2cccc(C(F)(F)F)c2)s1 ZINC000036930136 570350835 /nfs/dbraw/zinc/35/08/35/570350835.db2.gz AWXSOXYXGVOOSL-UHFFFAOYSA-N -1 0 273.235 3.527 50 0 CHAARM O=C([O-])c1ccc(Cl)cc1OCc1ccccc1 ZINC000013085147 956935274 /nfs/dbraw/zinc/93/52/74/956935274.db2.gz MCBKBOQPEWFTLJ-UHFFFAOYSA-N -1 0 262.692 3.617 50 0 CHAARM O=C([O-])c1ccccc1NC(=O)c1ccc(C2CCC2)cc1 ZINC000585100256 974960813 /nfs/dbraw/zinc/96/08/13/974960813.db2.gz NYBHFEQFOYHZPG-UHFFFAOYSA-N -1 0 295.338 3.905 50 0 CHAARM Cc1cc(Nc2cccc(C(=O)[O-])c2)nc2ccccc12 ZINC000000324409 1128088797 /nfs/dbraw/zinc/08/87/97/1128088797.db2.gz KBJBPWSEGVVMQY-UHFFFAOYSA-N -1 0 278.311 3.985 50 0 CHAARM [S-]c1ccccc1-c1nc(Cc2ccccc2)no1 ZINC000004031034 1120323552 /nfs/dbraw/zinc/32/35/52/1120323552.db2.gz FJRJQPWYQQXHIG-UHFFFAOYSA-N -1 0 268.341 3.616 50 0 CHAARM Cc1ccc(C(=O)CSc2ccccc2C(=O)[O-])cc1 ZINC000004070870 230368390 /nfs/dbraw/zinc/36/83/90/230368390.db2.gz DEEGCOZZZOJFEJ-UHFFFAOYSA-N -1 0 286.352 3.668 50 0 CHAARM O=C([O-])/C=C/c1cc(Cl)c(OC(F)F)cc1Cl ZINC000263625350 190071241 /nfs/dbraw/zinc/07/12/41/190071241.db2.gz ZCSWBRIYDPOKTK-OWOJBTEDSA-N -1 0 283.057 3.693 50 0 CHAARM O=C([O-])/C=C/c1ccc(-c2ccc(C(F)(F)F)cn2)cc1 ZINC000263640094 190071798 /nfs/dbraw/zinc/07/17/98/190071798.db2.gz XJLLEJDLKKPFPZ-FPYGCLRLSA-N -1 0 293.244 3.865 50 0 CHAARM O=C([O-])c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000000057024 169520854 /nfs/dbraw/zinc/52/08/54/169520854.db2.gz ADRFTNFHVKVATK-UHFFFAOYSA-N -1 0 256.179 3.664 50 0 CHAARM O=C([O-])c1cc(-c2ccccc2)nn1-c1ccc(Cl)cc1 ZINC000000323933 169608345 /nfs/dbraw/zinc/60/83/45/169608345.db2.gz CIIAUVPHUMDQBA-UHFFFAOYSA-N -1 0 298.729 3.891 50 0 CHAARM C[C@@H](/C=C/c1ccccc1)OC(=O)c1ccccc1C(=O)[O-] ZINC000000402106 184527698 /nfs/dbraw/zinc/52/76/98/184527698.db2.gz GCKJZRTZJCMNQL-YLSINNKHSA-N -1 0 296.322 3.644 50 0 CHAARM CC(/C=C/c1ccc2c3c(cccc31)CC2)=C\C(=O)[O-] ZINC000004728525 170007340 /nfs/dbraw/zinc/00/73/40/170007340.db2.gz GKNQACATGRQIPS-HDZHTHRUSA-N -1 0 264.324 3.983 50 0 CHAARM O=C([O-])c1ccc(NC(=O)CCC2CCCCC2)cc1 ZINC000004913520 170040763 /nfs/dbraw/zinc/04/07/63/170040763.db2.gz KXYDMJSJRZKFMC-UHFFFAOYSA-N -1 0 275.348 3.684 50 0 CHAARM O=C([O-])/C=C/c1cn(Cc2ccccc2)c2ccccc12 ZINC000005572153 170115042 /nfs/dbraw/zinc/11/50/42/170115042.db2.gz NTLPZTFJWQUKOR-ZHACJKMWSA-N -1 0 277.323 3.787 50 0 CHAARM CCc1ccccc1Oc1coc2cc([O-])ccc2c1=O ZINC000005686817 170128856 /nfs/dbraw/zinc/12/88/56/170128856.db2.gz XLUSTJQFGDFCOX-UHFFFAOYSA-N -1 0 282.295 3.853 50 0 CHAARM O=c1c(Oc2ccccc2Cl)coc2cc([O-])ccc12 ZINC000005731327 170134374 /nfs/dbraw/zinc/13/43/74/170134374.db2.gz JRROROHEBIPPQR-UHFFFAOYSA-N -1 0 288.686 3.944 50 0 CHAARM O=C([O-])c1cccc(CSc2nc3ccccc3o2)c1 ZINC000006697140 170226972 /nfs/dbraw/zinc/22/69/72/170226972.db2.gz WOXNQRUDMFQBRT-UHFFFAOYSA-N -1 0 285.324 3.818 50 0 CHAARM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccccc1F ZINC000007402813 170282828 /nfs/dbraw/zinc/28/28/28/170282828.db2.gz DXQLNRSPIOFYNY-UHFFFAOYSA-N -1 0 299.754 3.588 50 0 CHAARM O=C([O-])C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000008037143 170315648 /nfs/dbraw/zinc/31/56/48/170315648.db2.gz APRXSIMKSSZHHM-UHFFFAOYSA-N -1 0 258.239 3.602 50 0 CHAARM O=C([O-])CCc1c2cc(F)ccc2[nH]c1-c1ccccc1 ZINC000008939958 170359681 /nfs/dbraw/zinc/35/96/81/170359681.db2.gz OLRWQHZTBMDOHC-UHFFFAOYSA-N -1 0 283.302 3.991 50 0 CHAARM O=C([O-])c1ccc(NC(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC000020457531 171209073 /nfs/dbraw/zinc/20/90/73/171209073.db2.gz FSZLKKSIVKTXRY-UHFFFAOYSA-N -1 0 296.326 3.518 50 0 CHAARM CCCOc1ccc(C(=O)[O-])c(OCc2ccccc2)c1 ZINC000035414218 172187883 /nfs/dbraw/zinc/18/78/83/172187883.db2.gz ITOIQHPSDKKREF-UHFFFAOYSA-N -1 0 286.327 3.753 50 0 CHAARM CC(C)CC[C@H](C)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000039975572 174180189 /nfs/dbraw/zinc/18/01/89/174180189.db2.gz CQOVWFSGECWKMH-JTQLQIEISA-N -1 0 269.772 3.600 50 0 CHAARM CC(C)(C)c1cc(C(=O)[O-])cc(C(C)(C)C)c1O ZINC000000157888 567820544 /nfs/dbraw/zinc/82/05/44/567820544.db2.gz YEXOWHQZWLCHHD-UHFFFAOYSA-N -1 0 250.338 3.685 50 0 CHAARM O=C([O-])c1ccc(C(=O)Nc2cccc(C(F)F)c2)cc1 ZINC000137227675 566841238 /nfs/dbraw/zinc/84/12/38/566841238.db2.gz MCAMEVXJFFASIH-UHFFFAOYSA-N -1 0 291.253 3.575 50 0 CHAARM O=C([O-])[C@@H](Oc1ccccc1Cl)c1ccccc1 ZINC000002017922 566976397 /nfs/dbraw/zinc/97/63/97/566976397.db2.gz RAZABXQTXNREAC-ZDUSSCGKSA-N -1 0 262.692 3.545 50 0 CHAARM Cc1cc(NCc2ccccc2)nc(-c2ccccc2[O-])n1 ZINC000013126624 567115337 /nfs/dbraw/zinc/11/53/37/567115337.db2.gz RWTXTYULNIJWJI-UHFFFAOYSA-N -1 0 291.354 3.770 50 0 CHAARM Cc1cscc1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000094246454 567125496 /nfs/dbraw/zinc/12/54/96/567125496.db2.gz BLQBNQSYXAVWQL-UHFFFAOYSA-N -1 0 295.747 3.660 50 0 CHAARM CCCCCOc1ccc(C([O-])=CC(=O)OCC)cc1 ZINC000102313713 567218946 /nfs/dbraw/zinc/21/89/46/567218946.db2.gz BBEJYBJIFCNROH-NTCAYCPXSA-N -1 0 278.348 3.718 50 0 CHAARM O=C([O-])c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000000157395 567820624 /nfs/dbraw/zinc/82/06/24/567820624.db2.gz BSMKDXIJGSTBNT-UHFFFAOYSA-N -1 0 257.072 3.952 50 0 CHAARM O=Cc1c(/C=C/c2ccoc2)oc2ccc(O)cc12 ZINC000000167524 567821183 /nfs/dbraw/zinc/82/11/83/567821183.db2.gz UKQCRAJIFBPGOD-HNQUOIGGSA-N -1 0 254.241 3.714 50 0 CHAARM O=C([O-])c1ccc(CSC2CCCCC2)cc1 ZINC000000309771 567824912 /nfs/dbraw/zinc/82/49/12/567824912.db2.gz HNCXKUNNLIGFOT-UHFFFAOYSA-N -1 0 250.363 3.951 50 0 CHAARM Cc1cccc(-c2cc(C(=O)[O-])c3ccccc3n2)c1 ZINC000000406388 567829723 /nfs/dbraw/zinc/82/97/23/567829723.db2.gz IDICWBXZRWNVIU-UHFFFAOYSA-N -1 0 263.296 3.908 50 0 CHAARM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000000470818 567832121 /nfs/dbraw/zinc/83/21/21/567832121.db2.gz WNKZOPVXPLIANL-UHFFFAOYSA-N -1 0 287.793 3.511 50 0 CHAARM O=C([O-])c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000000481140 567832741 /nfs/dbraw/zinc/83/27/41/567832741.db2.gz NZFGXUUCPFNSSR-UHFFFAOYSA-N -1 0 272.691 3.582 50 0 CHAARM Cc1ccc(-c2cc(C(=O)[O-])n(-c3ccccc3F)n2)cc1 ZINC000000732379 567834751 /nfs/dbraw/zinc/83/47/51/567834751.db2.gz ZUBPIFPXNFKHGG-UHFFFAOYSA-N -1 0 296.301 3.685 50 0 CHAARM O=C([O-])[C@@H](CC(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000001397623 567837100 /nfs/dbraw/zinc/83/71/00/567837100.db2.gz PMMZTHWHCZULAV-AWEZNQCLSA-N -1 0 288.730 3.781 50 0 CHAARM Cc1ccc2nc(-c3ccccc3O)cc(C(=O)[O-])c2c1 ZINC000001457172 567837553 /nfs/dbraw/zinc/83/75/53/567837553.db2.gz WAHCUXNTPSKLRO-UHFFFAOYSA-N -1 0 279.295 3.614 50 0 CHAARM Cc1ccc(C(=O)CCCCCCC(=O)[O-])cc1C ZINC000002378624 567845400 /nfs/dbraw/zinc/84/54/00/567845400.db2.gz GGNRLMOGYMXCTP-UHFFFAOYSA-N -1 0 262.349 3.911 50 0 CHAARM O=C([O-])c1cc(-c2ccco2)nc2c(Cl)cccc12 ZINC000002521470 567847367 /nfs/dbraw/zinc/84/73/67/567847367.db2.gz CCGVQHQIJOPNNV-UHFFFAOYSA-N -1 0 273.675 3.846 50 0 CHAARM O=C([O-])CCCCC(=O)c1cccc(C(F)(F)F)c1 ZINC000002579911 567848349 /nfs/dbraw/zinc/84/83/49/567848349.db2.gz BZEYCGVQYBZOEK-UHFFFAOYSA-N -1 0 274.238 3.533 50 0 CHAARM Cc1ccc(-c2cc(C(=O)[O-])c3cc(C)ccc3n2)o1 ZINC000002730500 567849221 /nfs/dbraw/zinc/84/92/21/567849221.db2.gz PMFGXMLJWRBNPW-UHFFFAOYSA-N -1 0 267.284 3.810 50 0 CHAARM Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)[O-])c1 ZINC000003394010 567852610 /nfs/dbraw/zinc/85/26/10/567852610.db2.gz ZQVPGGFOHOFXAB-UHFFFAOYSA-N -1 0 296.301 3.685 50 0 CHAARM Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[O-])c(C)c1 ZINC000003394069 567852701 /nfs/dbraw/zinc/85/27/01/567852701.db2.gz NYNBUAHSMOBRQL-UHFFFAOYSA-N -1 0 292.338 3.854 50 0 CHAARM O=C1CCCCC1=C([O-])c1cccc(C(F)(F)F)c1 ZINC000003529889 567853274 /nfs/dbraw/zinc/85/32/74/567853274.db2.gz BWYSLFSOJBJMDK-LLVKDONJSA-N -1 0 270.250 3.647 50 0 CHAARM O=C([O-])[C@]1(Cl)CC2c3ccccc3C1c1ccccc12 ZINC000004565694 567858048 /nfs/dbraw/zinc/85/80/48/567858048.db2.gz QOSMOEVXOHGGQR-DQPZFDDXSA-N -1 0 284.742 3.730 50 0 CHAARM O=C([O-])c1cccc2cccc([S@@](=O)c3ccccc3)c21 ZINC000012367586 567862648 /nfs/dbraw/zinc/86/26/48/567862648.db2.gz UTPSEYFLGGYQEQ-OAQYLSRUSA-N -1 0 296.347 3.705 50 0 CHAARM CC1(C)C[C@@](CC(=O)[O-])(Cc2ccccc2Cl)CCO1 ZINC000004442410 567867853 /nfs/dbraw/zinc/86/78/53/567867853.db2.gz DTWHZFUUSCPCPG-MRXNPFEDSA-N -1 0 296.794 3.933 50 0 CHAARM C[C@H](CC(=O)[O-])CC(=O)c1ccc(C(C)(C)C)cc1 ZINC000015441775 567870559 /nfs/dbraw/zinc/87/05/59/567870559.db2.gz NPXVVJVOXBGDSA-NSHDSACASA-N -1 0 262.349 3.668 50 0 CHAARM O=C([O-])c1ccc(NCc2ccccc2)cc1Cl ZINC000016578651 567873237 /nfs/dbraw/zinc/87/32/37/567873237.db2.gz CNRWZFYWNGJQQZ-UHFFFAOYSA-N -1 0 261.708 3.650 50 0 CHAARM Cc1ccc(CNc2cc(C(=O)[O-])ccc2C)cc1 ZINC000016579206 567873362 /nfs/dbraw/zinc/87/33/62/567873362.db2.gz OSRDRRDKJSWIBB-UHFFFAOYSA-N -1 0 255.317 3.614 50 0 CHAARM CC(C)[C@H]1CC[C@@H](C)C(=C([O-])c2ccccc2)C1=O ZINC000019924630 567879920 /nfs/dbraw/zinc/87/99/20/567879920.db2.gz VPTKSNILIUZETI-YUELXQCFSA-N -1 0 258.361 3.757 50 0 CHAARM O=C([O-])c1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000036893226 567889737 /nfs/dbraw/zinc/88/97/37/567889737.db2.gz DWDLMDDOUHTLON-UHFFFAOYSA-N -1 0 274.128 3.815 50 0 CHAARM COc1cc(-c2ccc(C(=O)[O-])c(Cl)c2)ccc1F ZINC000065351009 567898579 /nfs/dbraw/zinc/89/85/79/567898579.db2.gz UFGMYLDVJQPRMM-UHFFFAOYSA-N -1 0 280.682 3.853 50 0 CHAARM O=C([O-])c1ccc(-c2ccc(F)cc2F)cc1Cl ZINC000065350364 567898788 /nfs/dbraw/zinc/89/87/88/567898788.db2.gz NGOXCNCEPVUSIG-UHFFFAOYSA-N -1 0 268.646 3.983 50 0 CHAARM CC[C@@H](C)n1cc(C=C2NC(=O)[N-]C2=O)c2ccccc21 ZINC000033286441 567906764 /nfs/dbraw/zinc/90/67/64/567906764.db2.gz SXTTULFGFHDIBZ-GARZTLJTSA-N -1 0 283.331 3.633 50 0 CHAARM Cc1ccc(C(=O)C=C([O-])c2ccc(C)cc2)cc1 ZINC000100801946 567913903 /nfs/dbraw/zinc/91/39/03/567913903.db2.gz XKFZOWRFWMXGQG-UHFFFAOYSA-N -1 0 252.313 3.759 50 0 CHAARM Oc1ccc(OCc2ccccc2)cc1Br ZINC000113858191 567926190 /nfs/dbraw/zinc/92/61/90/567926190.db2.gz HIGLPWLKZYKDNL-UHFFFAOYSA-N -1 0 279.133 3.734 50 0 CHAARM O=C([O-])/C=C/c1csc2ccc(Br)cc12 ZINC000000338738 567927057 /nfs/dbraw/zinc/92/70/57/567927057.db2.gz HCKQUGKEEHOHTM-DAFODLJHSA-N -1 0 283.146 3.762 50 0 CHAARM C[C@H]1CCCC[C@H]1n1c(=O)c2ccccc2[n-]c1=S ZINC000000425224 567930523 /nfs/dbraw/zinc/93/05/23/567930523.db2.gz LWNRFDYFXURUJL-GXFFZTMASA-N -1 0 274.389 3.810 50 0 CHAARM O=C([O-])c1ccc(NCCC2=CCCCC2)c(F)c1 ZINC000236465240 567932368 /nfs/dbraw/zinc/93/23/68/567932368.db2.gz YGHJNYDXSHZBEQ-UHFFFAOYSA-N -1 0 263.312 3.826 50 0 CHAARM C[C@H](C(=O)[O-])c1ccc(OCc2ccccc2)c(F)c1 ZINC000000395761 567935786 /nfs/dbraw/zinc/93/57/86/567935786.db2.gz UEXOQSABTFUOOR-NSHDSACASA-N -1 0 274.291 3.593 50 0 CHAARM Cc1ccc([C@]2(CC(=O)[O-])CCO[C@H](C(C)C)C2)cc1 ZINC000000488611 567939652 /nfs/dbraw/zinc/93/96/52/567939652.db2.gz ZSAAYPTYOKXXHF-DOTOQJQBSA-N -1 0 276.376 3.543 50 0 biogenic CHAARM CCc1cccc(CC)c1[N-]S(=O)(=O)c1cccs1 ZINC000000813873 567948269 /nfs/dbraw/zinc/94/82/69/567948269.db2.gz XWWRZSMCAFLKGE-UHFFFAOYSA-N -1 0 295.429 3.674 50 0 CHAARM O=c1[nH]c2ccccc2c([O-])c1SCc1ccccc1 ZINC000006666572 570217517 /nfs/dbraw/zinc/21/75/17/570217517.db2.gz SCHABODZAWAYNV-UHFFFAOYSA-N -1 0 283.352 3.526 50 0 CHAARM CC(C)[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000011628860 570219809 /nfs/dbraw/zinc/21/98/09/570219809.db2.gz KRUVSXKUNSQVEN-LLVKDONJSA-N -1 0 271.154 3.663 50 0 CHAARM CC(C)(C)c1csc(COc2ccc(C(=O)[O-])cc2)n1 ZINC000011566541 570219689 /nfs/dbraw/zinc/21/96/89/570219689.db2.gz CZZSSDXLXPZRMA-UHFFFAOYSA-N -1 0 291.372 3.718 50 0 CHAARM COc1cccc(-c2cccc(C(=O)[O-])c2)c1Cl ZINC000065336962 570243751 /nfs/dbraw/zinc/24/37/51/570243751.db2.gz DRYXFJQEEDVSFI-UHFFFAOYSA-N -1 0 262.692 3.714 50 0 CHAARM CC[C@]1(C)C[C@](CC(=O)[O-])(c2ccc(F)cc2)CCO1 ZINC000000367122 570265544 /nfs/dbraw/zinc/26/55/44/570265544.db2.gz RMZGDUOTDZVLFS-CVEARBPZSA-N -1 0 280.339 3.517 50 0 CHAARM O=C([O-])C[C@@H](c1ccccc1)[C@H]1CCc2ccccc2C1=O ZINC000196395088 570304281 /nfs/dbraw/zinc/30/42/81/570304281.db2.gz FNJYHUMCHFPHNB-SJORKVTESA-N -1 0 294.350 3.690 50 0 CHAARM O=C([O-])c1ccc(-c2ccc(N3CCCCCC3)nc2)cc1 ZINC000049901075 570350919 /nfs/dbraw/zinc/35/09/19/570350919.db2.gz FNQYLXMCAZURQC-UHFFFAOYSA-N -1 0 296.370 3.827 50 0 CHAARM CC(C)CCSc1ccc(/C=C/C(=O)[O-])cc1 ZINC000012920033 1129831042 /nfs/dbraw/zinc/83/10/42/1129831042.db2.gz AQBJFVCVLZWJTJ-VMPITWQZSA-N -1 0 250.363 3.923 50 0 CHAARM CCCC(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000052068524 1119281516 /nfs/dbraw/zinc/28/15/16/1119281516.db2.gz YEPGWVTVGNPKBG-UHFFFAOYSA-N -1 0 277.545 3.791 50 0 CHAARM CCCCC[C@@H](C(=O)[O-])[C@H](C)CC(=O)NC1CCCCC1 ZINC000002227722 1122789421 /nfs/dbraw/zinc/78/94/21/1122789421.db2.gz DDWWBWGWCOFFDU-UKRRQHHQSA-N -1 0 297.439 3.743 50 0 CHAARM C[C@H](CC(=O)[O-])CC(=O)N(c1ccccc1)c1ccccc1 ZINC000004680805 1125442329 /nfs/dbraw/zinc/44/23/29/1125442329.db2.gz BTCAWNFNFFMXRJ-AWEZNQCLSA-N -1 0 297.354 3.852 50 0 CHAARM O=C([O-])CCc1cc(C(F)(F)F)ccc1C(F)(F)F ZINC000002569908 169811221 /nfs/dbraw/zinc/81/12/21/169811221.db2.gz CHIXRVUEUZNLNI-UHFFFAOYSA-N -1 0 286.171 3.741 50 0 CHAARM Cc1cc(F)ccc1-c1nc(C(C)(C)C(=O)[O-])cs1 ZINC000123994849 187117436 /nfs/dbraw/zinc/11/74/36/187117436.db2.gz ZBWOJSJXEMASGM-UHFFFAOYSA-N -1 0 279.336 3.620 50 0 CHAARM Cc1ccc(-c2cc(C(=O)[O-])n(-c3ccccc3C)n2)cc1 ZINC000000732377 169677697 /nfs/dbraw/zinc/67/76/97/169677697.db2.gz HAUHTHBIRXOQNZ-UHFFFAOYSA-N -1 0 292.338 3.854 50 0 CHAARM CC(C)(C)n1cc(C(=O)c2ccc3ccccc3c2[O-])cn1 ZINC000001393747 169700191 /nfs/dbraw/zinc/70/01/91/169700191.db2.gz QEOYVFLPZKNJGR-UHFFFAOYSA-N -1 0 294.354 3.728 50 0 CHAARM O=C([O-])[C@@H](Cc1ccccc1)c1ccc(Cl)cc1 ZINC000001712853 169748040 /nfs/dbraw/zinc/74/80/40/169748040.db2.gz CUMMKZITYCLISM-AWEZNQCLSA-N -1 0 260.720 3.751 50 0 CHAARM CC[C@@H](C(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000002850341 169836951 /nfs/dbraw/zinc/83/69/51/169836951.db2.gz JSFDDMOGJDRAOL-OAHLLOKOSA-N -1 0 283.327 3.517 50 0 CHAARM O=C([O-])C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000004342660 169959905 /nfs/dbraw/zinc/95/99/05/169959905.db2.gz AFISNAKLTPIWMH-UHFFFAOYSA-N -1 0 299.713 3.527 50 0 CHAARM O=C([O-])c1ccc(Cl)cc1NC(=O)C1CCCCC1 ZINC000004695642 170000310 /nfs/dbraw/zinc/00/03/10/170000310.db2.gz MICFVOJMDSHCGR-UHFFFAOYSA-N -1 0 281.739 3.557 50 0 CHAARM Cc1cc(C)c(C(=O)c2ccccc2C(=O)[O-])c(C)c1 ZINC000004776266 170015728 /nfs/dbraw/zinc/01/57/28/170015728.db2.gz CTYJJXJURMYALZ-UHFFFAOYSA-N -1 0 268.312 3.541 50 0 CHAARM CCOc1cc(C(=O)[O-])ccc1OCc1ccc(C)cc1 ZINC000004856936 170031556 /nfs/dbraw/zinc/03/15/56/170031556.db2.gz ACAWBINAMCTOLD-UHFFFAOYSA-N -1 0 286.327 3.671 50 0 CHAARM C[P@@](=O)([O-])O[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000004952014 170044944 /nfs/dbraw/zinc/04/49/44/170044944.db2.gz CWEREINHHVRRNI-MRVPVSSYSA-N -1 0 288.589 3.775 50 0 CHAARM Cc1cc(C)c(C(=O)c2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000004996304 170051868 /nfs/dbraw/zinc/05/18/68/170051868.db2.gz QFTOOAGTYSVOBN-UHFFFAOYSA-N -1 0 268.312 3.541 50 0 CHAARM O=C([O-])c1ccc(Oc2ccc(Br)cc2)cc1 ZINC000005125484 170068367 /nfs/dbraw/zinc/06/83/67/170068367.db2.gz GQZGWHFUVISZQO-UHFFFAOYSA-N -1 0 293.116 3.940 50 0 CHAARM CCOc1ccc(/C=C(/C(=O)[O-])c2ccccc2)cc1 ZINC000005175344 170073449 /nfs/dbraw/zinc/07/34/49/170073449.db2.gz LKSIQMGQBZITQK-FOWTUZBSSA-N -1 0 268.312 3.711 50 0 CHAARM Cc1ccc(NC(=O)Nc2cccc(C(=O)[O-])c2)c(C)c1 ZINC000005961397 170162934 /nfs/dbraw/zinc/16/29/34/170162934.db2.gz ABJRVGOUTQBEBI-UHFFFAOYSA-N -1 0 284.315 3.646 50 0 CHAARM COc1ccccc1Oc1c(C)oc2cc([O-])ccc2c1=O ZINC000006556411 170212629 /nfs/dbraw/zinc/21/26/29/170212629.db2.gz ALQXAOJNDYLECZ-UHFFFAOYSA-N -1 0 298.294 3.608 50 0 biogenic CHAARM Cc1ccc(-n2c3ccccc3nc2SCC(=O)[O-])cc1 ZINC000006650934 170222399 /nfs/dbraw/zinc/22/23/99/170222399.db2.gz DPURZYUGWCDZPG-UHFFFAOYSA-N -1 0 298.367 3.511 50 0 CHAARM O=c1c(Br)c(C(F)(F)F)[n-]c2ccccc12 ZINC000008715703 170348873 /nfs/dbraw/zinc/34/88/73/170348873.db2.gz SOBOSNAIPXNQLT-UHFFFAOYSA-N -1 0 292.054 3.722 50 0 CHAARM O=C([O-])c1ccccc1Sc1nc(Cl)cs1 ZINC000009953696 170392051 /nfs/dbraw/zinc/39/20/51/170392051.db2.gz IRHBDSNZSBMQEA-UHFFFAOYSA-N -1 0 271.750 3.646 50 0 CHAARM O=C([O-])c1ccc(OCc2ccc3ccccc3n2)cc1 ZINC000020245797 171099498 /nfs/dbraw/zinc/09/94/98/171099498.db2.gz NNJZADJXPQFKOE-UHFFFAOYSA-N -1 0 279.295 3.512 50 0 CHAARM CCc1ccc(Nc2nc(C(=O)[O-])nc3ccccc32)cc1 ZINC000021779211 171322034 /nfs/dbraw/zinc/32/20/34/171322034.db2.gz HYEQZZRUJZZRCZ-UHFFFAOYSA-N -1 0 293.326 3.634 50 0 CHAARM Cc1ccccc1-n1nc(-c2ccc(F)cc2)cc1C(=O)[O-] ZINC000025761061 171465591 /nfs/dbraw/zinc/46/55/91/171465591.db2.gz BFONDCUVULLBJA-UHFFFAOYSA-N -1 0 296.301 3.685 50 0 CHAARM O=C([O-])c1occc1/C=C/c1ccc2ccccc2n1 ZINC000032824927 171753489 /nfs/dbraw/zinc/75/34/89/171753489.db2.gz WVTJOGRFLHQQTG-SOFGYWHQSA-N -1 0 265.268 3.696 50 0 CHAARM COc1ccc(/C=C\C(=O)[O-])cc1COc1ccccc1C ZINC000033310942 171781626 /nfs/dbraw/zinc/78/16/26/171781626.db2.gz FOMRZDQEPYLFFG-NTMALXAHSA-N -1 0 298.338 3.680 50 0 CHAARM COc1ccc(Cl)cc1[C@@H](CC(=O)[O-])c1ccccc1 ZINC000036177803 172496580 /nfs/dbraw/zinc/49/65/80/172496580.db2.gz RQSTYDCJVRNKDH-ZDUSSCGKSA-N -1 0 290.746 3.955 50 0 CHAARM O=C([O-])c1cnc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000037343328 173143076 /nfs/dbraw/zinc/14/30/76/173143076.db2.gz DSHZQLTWBMTKEW-UHFFFAOYSA-N -1 0 273.235 3.527 50 0 CHAARM CSc1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000042784408 174879309 /nfs/dbraw/zinc/87/93/09/174879309.db2.gz AIKZKVUXGLJEBP-UHFFFAOYSA-N -1 0 274.341 3.686 50 0 CHAARM O=C([O-])Cc1cccc(OCc2cccc(Cl)c2)c1 ZINC000048806039 175449557 /nfs/dbraw/zinc/44/95/57/175449557.db2.gz HDPXKGAGFFMDTM-UHFFFAOYSA-N -1 0 276.719 3.546 50 0 CHAARM COc1cc(Cl)ccc1-c1cccc(CC(=O)[O-])c1 ZINC000074938317 176638413 /nfs/dbraw/zinc/63/84/13/176638413.db2.gz HORGADCZMYSWFB-UHFFFAOYSA-N -1 0 276.719 3.643 50 0 CHAARM Cc1cc(C(=O)[O-])c2c(Cl)cc(Cl)cc2n1 ZINC000004343251 260014843 /nfs/dbraw/zinc/01/48/43/260014843.db2.gz HJXCDEDXEDDWDF-UHFFFAOYSA-N -1 0 256.088 3.548 50 0 CHAARM CCCc1c(C)nc2c(C)cccc2c1SCC(=O)[O-] ZINC000004663385 260016168 /nfs/dbraw/zinc/01/61/68/260016168.db2.gz SJGZLMHPZXBRIR-UHFFFAOYSA-N -1 0 289.400 3.981 50 0 CHAARM CO[C@@H](C)c1cccc(-c2cc(C)c(C(=O)[O-])c(C)n2)c1 ZINC000534671678 328347752 /nfs/dbraw/zinc/34/77/52/328347752.db2.gz OFZOBGBLPAJJDX-LBPRGKRZSA-N -1 0 285.343 3.771 50 0 CHAARM CCCC[C@@H](CC)COC(=O)c1ccccc1C(=O)[O-] ZINC000001529633 326794852 /nfs/dbraw/zinc/79/48/52/326794852.db2.gz DJDSLBVSSOQSLW-GFCCVEGCSA-N -1 0 278.348 3.758 50 0 endogenous,in-man CHAARM CC(C)c1cccc(NC(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000035347737 330246109 /nfs/dbraw/zinc/24/61/09/330246109.db2.gz FZSHIVHPJBAUJQ-UHFFFAOYSA-N -1 0 283.327 3.761 50 0 CHAARM O=C([O-])c1ccc(N=Cc2ccc3c(c2)CCC3)cc1 ZINC000004582368 566867475 /nfs/dbraw/zinc/86/74/75/566867475.db2.gz ISHXWIASDNUHIL-UHFFFAOYSA-N -1 0 265.312 3.624 50 0 CHAARM COc1cc(/C=C(\C)C(=O)[O-])ccc1OCc1ccccc1 ZINC000043761131 566916483 /nfs/dbraw/zinc/91/64/83/566916483.db2.gz XAUREBQXUHVCAP-JLHYYAGUSA-N -1 0 298.338 3.762 50 0 CHAARM C[C@@H](C(=O)[O-])n1cnc(-c2ccccc2)c1-c1ccccc1 ZINC000138950016 566919695 /nfs/dbraw/zinc/91/96/95/566919695.db2.gz DOPDKEZFZKFWRE-ZDUSSCGKSA-N -1 0 292.338 3.863 50 0 CHAARM CSc1ccc(C=NNc2ccccc2C(=O)[O-])cc1 ZINC000252477059 566973609 /nfs/dbraw/zinc/97/36/09/566973609.db2.gz HJMVMJJGZICBKR-UHFFFAOYSA-N -1 0 286.356 3.553 50 0 CHAARM C[C@@H]1CC[C@@H]2[C@@H](C1)Nc1c(C(=O)[O-])cccc1C2(C)C ZINC000002111292 567047363 /nfs/dbraw/zinc/04/73/63/567047363.db2.gz AXJHPUBYXHXNHC-MPKXVKKWSA-N -1 0 273.376 3.893 50 0 CHAARM Cc1cc(Nc2ccccc2)n(-c2ccc(C(=O)[O-])cc2)n1 ZINC000003264529 567165053 /nfs/dbraw/zinc/16/50/53/567165053.db2.gz QOQYGSVOVQFQCA-UHFFFAOYSA-N -1 0 293.326 3.623 50 0 CHAARM COc1ccc(Nc2cc(C(=O)[O-])c3ccccc3n2)cc1 ZINC000003913556 567182244 /nfs/dbraw/zinc/18/22/44/567182244.db2.gz APBDJZSQEJVBTJ-UHFFFAOYSA-N -1 0 294.310 3.685 50 0 CHAARM Cc1ccc(-c2csc([N-]c3ncccn3)n2)cc1 ZINC000067192470 567195329 /nfs/dbraw/zinc/19/53/29/567195329.db2.gz UQVVXJNEXGBOIO-UHFFFAOYSA-N -1 0 268.345 3.652 50 0 CHAARM O=C([O-])c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000000349812 567826290 /nfs/dbraw/zinc/82/62/90/567826290.db2.gz IJPNRBZMRINMMR-UHFFFAOYSA-N -1 0 256.179 3.664 50 0 in-vivo CHAARM Cc1c(-c2cccs2)nc2ccccc2c1C(=O)[O-] ZINC000000389919 567828301 /nfs/dbraw/zinc/82/83/01/567828301.db2.gz QYCXQPXWFXQECL-UHFFFAOYSA-N -1 0 269.325 3.970 50 0 CHAARM O=c1c2ccccc2[n-]c(=S)n1C1CCCCC1 ZINC000000410182 567829755 /nfs/dbraw/zinc/82/97/55/567829755.db2.gz MCTGJKRPXXKWGV-UHFFFAOYSA-N -1 0 260.362 3.564 50 0 CHAARM Cc1ccc(-c2cc(C(=O)[O-])n(-c3ccccc3)n2)cc1 ZINC000000732368 567834694 /nfs/dbraw/zinc/83/46/94/567834694.db2.gz RAEVNZUOOYQPMU-UHFFFAOYSA-N -1 0 278.311 3.546 50 0 CHAARM Cc1ccc(C(=O)[O-])cc1NC(=O)CCC1CCCCC1 ZINC000001066890 567836019 /nfs/dbraw/zinc/83/60/19/567836019.db2.gz OMOVRZFQEAFPTF-UHFFFAOYSA-N -1 0 289.375 3.992 50 0 CHAARM O=C([O-])c1cc(Cl)c(Cl)c(Cl)c1Cl ZINC000002041386 567844459 /nfs/dbraw/zinc/84/44/59/567844459.db2.gz FUXMTEKFGUWSNC-UHFFFAOYSA-N -1 0 259.903 3.998 50 0 CHAARM CCCCCC[C@@H](C)OC(=O)c1ccccc1C(=O)[O-] ZINC000002154763 567844906 /nfs/dbraw/zinc/84/49/06/567844906.db2.gz DUJBEEUYBSLMGM-GFCCVEGCSA-N -1 0 278.348 3.901 50 0 CHAARM CC(C)(CC(=O)c1ccc2ccccc2c1)C(=O)[O-] ZINC000002378761 567845632 /nfs/dbraw/zinc/84/56/32/567845632.db2.gz JVNZDQCGRCMVLF-UHFFFAOYSA-N -1 0 256.301 3.523 50 0 CHAARM O=C([O-])c1cc(-c2ccccc2O)nc2ccc(Cl)cc21 ZINC000002521449 567847512 /nfs/dbraw/zinc/84/75/12/567847512.db2.gz SJXXHJMCMCZBBF-UHFFFAOYSA-N -1 0 299.713 3.959 50 0 CHAARM CCCc1ccc(C(=O)CCCCCC(=O)[O-])cc1 ZINC000002579944 567848389 /nfs/dbraw/zinc/84/83/89/567848389.db2.gz IGLVWVRDAVSAMS-UHFFFAOYSA-N -1 0 262.349 3.857 50 0 CHAARM CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)[O-] ZINC000003182482 567852032 /nfs/dbraw/zinc/85/20/32/567852032.db2.gz YKSHSSFDOHACTC-JTQLQIEISA-N -1 0 295.688 3.880 50 0 CHAARM O=C([O-])c1ccc(CSc2nc3ccccc3[nH]2)cc1 ZINC000003887606 567854105 /nfs/dbraw/zinc/85/41/05/567854105.db2.gz HSDSEYKDYSEFBN-UHFFFAOYSA-N -1 0 284.340 3.553 50 0 CHAARM Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)[O-] ZINC000003887822 567854379 /nfs/dbraw/zinc/85/43/79/567854379.db2.gz TXZZVNJBDDMPDJ-UHFFFAOYSA-N -1 0 278.311 3.546 50 0 CHAARM O=C([O-])c1sc(Cl)cc1CCc1ccccc1 ZINC000004419586 567857444 /nfs/dbraw/zinc/85/74/44/567857444.db2.gz JXIBEBTURSVSPL-UHFFFAOYSA-N -1 0 266.749 3.885 50 0 CHAARM O=C([O-])CCC(=O)NC1CCCCCCCCCCC1 ZINC000004551754 567858195 /nfs/dbraw/zinc/85/81/95/567858195.db2.gz PMSRFFMENQFVJY-UHFFFAOYSA-N -1 0 283.412 3.641 50 0 CHAARM CC1CCC(n2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000012395687 567863231 /nfs/dbraw/zinc/86/32/31/567863231.db2.gz ODTOLAGVQAXYAV-UHFFFAOYSA-N -1 0 274.389 3.810 50 0 CHAARM S=c1[n-]nc2cc(-c3ccccc3)c3ccccc3n21 ZINC000012505982 567863599 /nfs/dbraw/zinc/86/35/99/567863599.db2.gz PRBBCWVYYQKLHU-UHFFFAOYSA-N -1 0 277.352 3.838 50 0 CHAARM CCCCc1cc(=O)oc2c(C)c([O-])c(-c3cc[nH]n3)cc12 ZINC000013684274 567867166 /nfs/dbraw/zinc/86/71/66/567867166.db2.gz YMVLCANHMSAGJI-UHFFFAOYSA-N -1 0 298.342 3.540 50 0 CHAARM O=C([O-])c1ccc(NCc2cccs2)cc1Cl ZINC000016578174 567872829 /nfs/dbraw/zinc/87/28/29/567872829.db2.gz KEFSAQJICXMIDM-UHFFFAOYSA-N -1 0 267.737 3.712 50 0 CHAARM O=C([O-])c1cccc(-c2nc3ccccc3s2)c1 ZINC000016545515 567873137 /nfs/dbraw/zinc/87/31/37/567873137.db2.gz JGHJRMOIZBCSIN-UHFFFAOYSA-N -1 0 255.298 3.662 50 0 CHAARM Cc1cc(C(=O)[O-])ccc1-c1cccc(Br)n1 ZINC000016696616 567873792 /nfs/dbraw/zinc/87/37/92/567873792.db2.gz NMSVGDOJIZPXLH-UHFFFAOYSA-N -1 0 292.132 3.518 50 0 CHAARM Cc1noc2nc(-c3cccc(Cl)c3)cc(C(=O)[O-])c12 ZINC000019256054 567877179 /nfs/dbraw/zinc/87/71/79/567877179.db2.gz OTRKYBZVUKHQEW-UHFFFAOYSA-N -1 0 288.690 3.550 50 0 CHAARM O=C([O-])c1cc(-c2ccccc2)nc2cc(F)ccc21 ZINC000020080951 567880862 /nfs/dbraw/zinc/88/08/62/567880862.db2.gz MUTUDFZNRULRAE-UHFFFAOYSA-N -1 0 267.259 3.739 50 0 CHAARM COc1ccc2c(c1)c(C(=O)[O-])c(C)n2C1CCCC1 ZINC000033419850 567886735 /nfs/dbraw/zinc/88/67/35/567886735.db2.gz DOKUYAQEKIMDNC-UHFFFAOYSA-N -1 0 273.332 3.772 50 0 CHAARM Cc1cc(C(=O)[O-])nc2c(-c3ccccc3)c(C(C)C)nn21 ZINC000049538558 567893504 /nfs/dbraw/zinc/89/35/04/567893504.db2.gz ZIBLNAHDINAPPW-UHFFFAOYSA-N -1 0 295.342 3.526 50 0 CHAARM O=C([O-])c1c(-c2ccc(F)cc2F)coc1C(F)F ZINC000725245748 567908169 /nfs/dbraw/zinc/90/81/69/567908169.db2.gz FQIOOKGMHFTUSV-UHFFFAOYSA-N -1 0 274.169 3.861 50 0 CHAARM O=C([O-])C1CCC(c2cc3cccnc3c(Cl)n2)CC1 ZINC000096179488 567909889 /nfs/dbraw/zinc/90/98/89/567909889.db2.gz GIVORNHULGHDDN-UHFFFAOYSA-N -1 0 290.750 3.642 50 0 CHAARM Cc1cc(C(=O)[O-])c(NC(=O)c2cccc(Cl)c2)s1 ZINC000000227469 567925437 /nfs/dbraw/zinc/92/54/37/567925437.db2.gz DNPYUTFCSQBSLS-UHFFFAOYSA-N -1 0 295.747 3.660 50 0 CHAARM O=c1cc(-c2ccccc2)nc2c(-c3ccccc3)c[n-]n21 ZINC000100756876 567928532 /nfs/dbraw/zinc/92/85/32/567928532.db2.gz WNUNVRRVEQLTAT-UHFFFAOYSA-N -1 0 287.322 3.769 50 0 CHAARM Cc1ccc(C)c(-c2csc([N-]c3ncccn3)n2)c1 ZINC000000202152 567930173 /nfs/dbraw/zinc/93/01/73/567930173.db2.gz DXPVHGPYKCKAJM-UHFFFAOYSA-N -1 0 282.372 3.961 50 0 CHAARM Cc1cc(C)c2oc(-c3ccc(C(=O)[O-])cc3)cc(=O)c2c1 ZINC000001961549 570214781 /nfs/dbraw/zinc/21/47/81/570214781.db2.gz DUDICPJKGNYCIT-UHFFFAOYSA-N -1 0 294.306 3.775 50 0 CHAARM C[C@@](Cc1ccccc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000011732618 570220178 /nfs/dbraw/zinc/22/01/78/570220178.db2.gz PMJKCHLLQFYGJA-INIZCTEOSA-N -1 0 274.747 3.925 50 0 CHAARM C[C@H](CC(=O)[O-])Nc1ccc(Oc2ccccc2)cc1 ZINC000000386549 570266510 /nfs/dbraw/zinc/26/65/10/570266510.db2.gz XNRPTPPQGKPZRH-GFCCVEGCSA-N -1 0 271.316 3.754 50 0 CHAARM O=C([O-])[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000019675453 570324725 /nfs/dbraw/zinc/32/47/25/570324725.db2.gz GZARGZVVWXVOKP-ZDUSSCGKSA-N -1 0 264.683 3.696 50 0 CHAARM Cc1ccccc1Cn1cc(-c2ccncc2)cc1C(=O)[O-] ZINC000169676898 570351552 /nfs/dbraw/zinc/35/15/52/570351552.db2.gz YSVPMBFHZMCXKZ-UHFFFAOYSA-N -1 0 292.338 3.605 50 0 CHAARM O=C([O-])c1c(-c2ccc(Cl)s2)noc1C(F)F ZINC000675057388 570364761 /nfs/dbraw/zinc/36/47/61/570364761.db2.gz FLLQVIMDKQWHEB-UHFFFAOYSA-N -1 0 279.651 3.692 50 0 CHAARM Cc1cccc(NC(=S)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000000874363 956862373 /nfs/dbraw/zinc/86/23/73/956862373.db2.gz RTLUUGLTDGGCFW-UHFFFAOYSA-N -1 0 286.356 3.502 50 0 CHAARM O=C([O-])c1cccc(/C=C/C(=O)c2ccc(F)c(F)c2)c1 ZINC000095943461 958336093 /nfs/dbraw/zinc/33/60/93/958336093.db2.gz WABKVKIQVDGCKC-QPJJXVBHSA-N -1 0 288.249 3.559 50 0 CHAARM CC(C)c1nc(/C=C/c2cccs2)ncc1C(=O)[O-] ZINC000169989271 1127575894 /nfs/dbraw/zinc/57/58/94/1127575894.db2.gz KCSTVEOFJQMWQP-AATRIKPKSA-N -1 0 274.345 3.530 50 0 CHAARM CCC(=O)c1c([O-])c(Cl)cc(Cl)c1Cl ZINC000052068508 1119281585 /nfs/dbraw/zinc/28/15/85/1119281585.db2.gz ZQPIRUBNPPSHBR-UHFFFAOYSA-N -1 0 253.512 3.945 50 0 CHAARM CSc1ccc(C=NNc2cccc(C(=O)[O-])c2)cc1 ZINC000013133208 1119772868 /nfs/dbraw/zinc/77/28/68/1119772868.db2.gz OMFCAHNZXJTJSI-UHFFFAOYSA-N -1 0 286.356 3.553 50 0 CHAARM O=C([O-])c1ccccc1Nc1ccc(OC(F)F)cc1 ZINC000003282889 230367734 /nfs/dbraw/zinc/36/77/34/230367734.db2.gz VATLFRMTHALRQT-UHFFFAOYSA-N -1 0 279.242 3.730 50 0 CHAARM O=C([O-])c1ccc(COc2cc(Cl)ccc2Cl)o1 ZINC000000133420 169548708 /nfs/dbraw/zinc/54/87/08/169548708.db2.gz FVABYPFRCFVPJJ-UHFFFAOYSA-N -1 0 287.098 3.864 50 0 CHAARM C[C@@H](OC(=O)c1ccccc1C(=O)[O-])[C@H](C)c1ccccc1 ZINC000000390819 169627860 /nfs/dbraw/zinc/62/78/60/169627860.db2.gz MECVHYVOTUSIFV-QWHCGFSZSA-N -1 0 298.338 3.734 50 0 CHAARM O=C([O-])C[C@H](C(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000000395748 169629194 /nfs/dbraw/zinc/62/91/94/169629194.db2.gz OZWWBBUADNEKHF-AWEZNQCLSA-N -1 0 288.730 3.781 50 0 CHAARM S=c1[n-]nc(C[C@@H](Cc2ccccc2)c2ccco2)o1 ZINC000524734429 256784542 /nfs/dbraw/zinc/78/45/42/256784542.db2.gz DRKYHPUEROSQJR-GFCCVEGCSA-N -1 0 286.356 3.520 50 0 CHAARM O=C([O-])CC1(CC(=O)Nc2ccc(F)cc2)CCCCC1 ZINC000003257396 169872674 /nfs/dbraw/zinc/87/26/74/169872674.db2.gz NWYDUMKUVBYKQI-UHFFFAOYSA-N -1 0 293.338 3.580 50 0 CHAARM Cc1nn2c(nc(C(=O)[O-])cc2C(C)C)c1-c1ccccc1 ZINC000003883105 169919739 /nfs/dbraw/zinc/91/97/39/169919739.db2.gz ZZVCLUOELMYBFK-UHFFFAOYSA-N -1 0 295.342 3.526 50 0 CHAARM Cc1nc(-c2cccc3ccccc32)ccc1C(=O)[O-] ZINC000004568138 169984805 /nfs/dbraw/zinc/98/48/05/169984805.db2.gz RZHLUXJQHNTKLI-UHFFFAOYSA-N -1 0 263.296 3.908 50 0 CHAARM CC[C@]1(C)C[C@@](CC(=O)[O-])(c2ccc(C)cc2)CCO1 ZINC000004951072 170044693 /nfs/dbraw/zinc/04/46/93/170044693.db2.gz JIZLCLRKAOQRQP-IAGOWNOFSA-N -1 0 276.376 3.687 50 0 CHAARM CC1(C)CO[P@](=O)([O-])O[C@@H]1c1ccccc1Cl ZINC000004977441 170048261 /nfs/dbraw/zinc/04/82/61/170048261.db2.gz ZPSPULCZMWMHCY-SNVBAGLBSA-N -1 0 276.656 3.555 50 0 CHAARM O=C([O-])/C=C/c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC000005515107 170106911 /nfs/dbraw/zinc/10/69/11/170106911.db2.gz NZKLTODPPZSQAT-SOFGYWHQSA-N -1 0 298.216 3.943 50 0 CHAARM Cc1nc(-c2c(C)oc3cc([O-])cc(C)c3c2=O)cs1 ZINC000005730271 170134548 /nfs/dbraw/zinc/13/45/48/170134548.db2.gz NJVMUHKSMDVLQG-UHFFFAOYSA-N -1 0 287.340 3.547 50 0 biogenic CHAARM Cc1ccc(C)c(Oc2coc3cc([O-])ccc3c2=O)c1 ZINC000005730460 170134559 /nfs/dbraw/zinc/13/45/59/170134559.db2.gz DWEPWJHNEWKGNG-UHFFFAOYSA-N -1 0 282.295 3.908 50 0 biogenic CHAARM CC[C@H](C)n1c(=O)c2c3c(sc2[n-]c1=S)CCCC3 ZINC000006016531 170168484 /nfs/dbraw/zinc/16/84/84/170168484.db2.gz FXYNFEMDQAPXHP-QMMMGPOBSA-N -1 0 294.445 3.970 50 0 CHAARM CCCCCn1c(=O)c2c3c(sc2[n-]c1=S)CCC3 ZINC000006078002 170174346 /nfs/dbraw/zinc/17/43/46/170174346.db2.gz KQWPMZKLANTXFC-UHFFFAOYSA-N -1 0 294.445 3.799 50 0 CHAARM COc1ccccc1-c1n[n-]c(=S)n1-c1ccc(C)cc1 ZINC000006533874 170211231 /nfs/dbraw/zinc/21/12/31/170211231.db2.gz MYMIOSWHDQLVHY-UHFFFAOYSA-N -1 0 297.383 3.914 50 0 CHAARM Cc1cc(-c2ccc(OCC(=O)[O-])cc2)nc2ccccc12 ZINC000007847352 170305087 /nfs/dbraw/zinc/30/50/87/170305087.db2.gz LSCOUSIYUCDXKY-UHFFFAOYSA-N -1 0 293.322 3.674 50 0 CHAARM Cc1ccc(-c2onc3ccc(C(=O)[O-])cc32)cc1 ZINC000009607360 170382502 /nfs/dbraw/zinc/38/25/02/170382502.db2.gz HLSBMOWPXCBDEU-UHFFFAOYSA-N -1 0 253.257 3.501 50 0 CHAARM COc1ccc(/C(=C\c2ccc(C)cc2)C(=O)[O-])cc1 ZINC000011593231 170424562 /nfs/dbraw/zinc/42/45/62/170424562.db2.gz LBTLCGGXVKYBHC-LFIBNONCSA-N -1 0 268.312 3.629 50 0 CHAARM Cc1ccc(C)c(Cc2ccc(C)cc2[S@](=O)[O-])c1 ZINC000018194776 170747513 /nfs/dbraw/zinc/74/75/13/170747513.db2.gz JDFCVTMYLAUQTA-UHFFFAOYSA-N -1 0 274.385 3.783 50 0 CHAARM COc1ccc(CNc2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000020881276 171277890 /nfs/dbraw/zinc/27/78/90/171277890.db2.gz ZJHIWFZVJGEIJV-UHFFFAOYSA-N -1 0 291.734 3.659 50 0 CHAARM Cc1noc2nc(-c3ccc(C)cc3C)cc(C(=O)[O-])c12 ZINC000022176933 171370850 /nfs/dbraw/zinc/37/08/50/171370850.db2.gz PMDKKOGRWREGQK-UHFFFAOYSA-N -1 0 282.299 3.513 50 0 CHAARM Cc1c(C)c(C)c(C(=O)C[C@H](C)CC(=O)[O-])c(C)c1C ZINC000043214271 174984772 /nfs/dbraw/zinc/98/47/72/174984772.db2.gz UQVOINUANQWQRP-VIFPVBQESA-N -1 0 276.376 3.912 50 0 CHAARM O=C([O-])[C@@H]1CCC[C@H](CC(=O)c2ccccc2Cl)C1 ZINC000043879470 175115965 /nfs/dbraw/zinc/11/59/65/175115965.db2.gz ZEOGBHNFARNCLO-WDEREUQCSA-N -1 0 280.751 3.804 50 0 CHAARM O=C([O-])c1cc2c(s1)-c1cc(Cl)ccc1OC2 ZINC000044199379 175153341 /nfs/dbraw/zinc/15/33/41/175153341.db2.gz LJOUPZZIQWILHA-UHFFFAOYSA-N -1 0 266.705 3.659 50 0 CHAARM O=C([O-])/C=C\c1csc2ccc(Br)cc12 ZINC000017111660 262091199 /nfs/dbraw/zinc/09/11/99/262091199.db2.gz HCKQUGKEEHOHTM-RJRFIUFISA-N -1 0 283.146 3.762 50 0 CHAARM O=C([O-])c1ccc(CNc2ccc(C3CCC3)cn2)cc1 ZINC000263397804 330054078 /nfs/dbraw/zinc/05/40/78/330054078.db2.gz HDXQFTQHVMUCLE-UHFFFAOYSA-N -1 0 282.343 3.659 50 0 CHAARM O=C([O-])Cc1nc(C(F)(F)F)ccc1-c1ccccc1F ZINC000047206730 566888637 /nfs/dbraw/zinc/88/86/37/566888637.db2.gz INVARMPAWVCWMO-UHFFFAOYSA-N -1 0 299.223 3.534 50 0 CHAARM O=[P@@]([O-])(O)[C@H](Nc1ccccc1)c1ccc(Cl)cc1 ZINC000065475845 567007495 /nfs/dbraw/zinc/00/74/95/567007495.db2.gz ZFFFHKYAHRMQJM-ZDUSSCGKSA-N -1 0 297.678 3.628 50 0 CHAARM C[C@@H]1CC[C@@H]2[C@H](C1)Nc1c(C(=O)[O-])cccc1C2(C)C ZINC000002111293 567047238 /nfs/dbraw/zinc/04/72/38/567047238.db2.gz AXJHPUBYXHXNHC-QKCSRTOESA-N -1 0 273.376 3.893 50 0 CHAARM Cc1csc(-c2nc(=O)c3sc4ccccc4c3[n-]2)n1 ZINC000097115162 567144506 /nfs/dbraw/zinc/14/45/06/567144506.db2.gz VPMJYMXGPPIPGE-UHFFFAOYSA-N -1 0 299.380 3.982 50 0 CHAARM CCCn1c2ccccc2c2cc(C(=O)[O-])ccc21 ZINC000003633934 567179909 /nfs/dbraw/zinc/17/99/09/567179909.db2.gz PNXSWKKZPAEHNJ-UHFFFAOYSA-N -1 0 253.301 3.903 50 0 aggregator CHAARM CCCc1cc2c(cc1[O-])oc(C)c(-c1ccccn1)c2=O ZINC000004079352 567184895 /nfs/dbraw/zinc/18/48/95/567184895.db2.gz FJAZHJWLZLBNNC-UHFFFAOYSA-N -1 0 295.338 3.822 50 0 biogenic CHAARM Cc1sc([N-]c2ncccn2)nc1-c1ccc(C)cc1 ZINC000067321990 567197395 /nfs/dbraw/zinc/19/73/95/567197395.db2.gz IJTHEIASFKKZMY-UHFFFAOYSA-N -1 0 282.372 3.961 50 0 CHAARM O=c1cc(-c2ccccc2)c2cc(Cl)c([O-])cc2o1 ZINC000000146729 567820246 /nfs/dbraw/zinc/82/02/46/567820246.db2.gz TUQNFQUMZKUALD-UHFFFAOYSA-N -1 0 272.687 3.819 50 0 biogenic,in-vitro CHAARM O=C([O-])C1=C(Sc2ccc(Cl)cc2)CSC1 ZINC000000148949 567820537 /nfs/dbraw/zinc/82/05/37/567820537.db2.gz UAPFOZRVAVYTQD-UHFFFAOYSA-N -1 0 272.778 3.518 50 0 CHAARM Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cccs1 ZINC000000170185 567821311 /nfs/dbraw/zinc/82/13/11/567821311.db2.gz GBIGZDOOXKHBGD-UHFFFAOYSA-N -1 0 287.793 3.511 50 0 CHAARM Cc1ccc(Oc2ccccc2CCC(=O)[O-])cc1 ZINC000000170430 567821477 /nfs/dbraw/zinc/82/14/77/567821477.db2.gz YPZDUVFPRLBCEP-UHFFFAOYSA-N -1 0 256.301 3.805 50 0 CHAARM Cc1c(C(=O)[O-])sc(=S)n1-c1ccc(Cl)cc1 ZINC000000181111 567821860 /nfs/dbraw/zinc/82/18/60/567821860.db2.gz IAQINBZWTJNCJO-UHFFFAOYSA-N -1 0 285.777 3.928 50 0 CHAARM CC(C)c1cc(C(=O)[O-])c2cc(Br)ccc2n1 ZINC000000205363 567822195 /nfs/dbraw/zinc/82/21/95/567822195.db2.gz QUBDAOYYNVYIBJ-UHFFFAOYSA-N -1 0 294.148 3.819 50 0 CHAARM Cc1nc2ccccc2c(C(=O)[O-])c1-c1ccccc1 ZINC000000291519 567823891 /nfs/dbraw/zinc/82/38/91/567823891.db2.gz GRHDYCQGEGLWCR-UHFFFAOYSA-N -1 0 263.296 3.908 50 0 CHAARM Cc1ccc(C(=O)C[C@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000000390418 567828261 /nfs/dbraw/zinc/82/82/61/567828261.db2.gz JBSWKVOSLWWAIQ-INIZCTEOSA-N -1 0 282.339 3.745 50 0 CHAARM CCCc1c(C)[nH]c2ccc(C(=O)[O-])cc2c1=S ZINC000001305614 567836970 /nfs/dbraw/zinc/83/69/70/567836970.db2.gz GLXNVODYOHCEND-UHFFFAOYSA-N -1 0 261.346 3.857 50 0 CHAARM O=C([O-])CCCC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000002378694 567845613 /nfs/dbraw/zinc/84/56/13/567845613.db2.gz ZALMNZZANOZMRV-UHFFFAOYSA-N -1 0 284.311 3.917 50 0 CHAARM O=Cc1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1O ZINC000002381118 567845630 /nfs/dbraw/zinc/84/56/30/567845630.db2.gz IPSPQCYVIYGWQO-UHFFFAOYSA-N -1 0 297.137 3.808 50 0 CHAARM O=C([O-])CCCCCCC(=O)c1cc(F)cc(F)c1 ZINC000002378684 567845684 /nfs/dbraw/zinc/84/56/84/567845684.db2.gz SWLCKNFJWOPORP-UHFFFAOYSA-N -1 0 270.275 3.573 50 0 CHAARM CCOc1ccc(C(=O)CCCCCCC(=O)[O-])cc1 ZINC000002579976 567848323 /nfs/dbraw/zinc/84/83/23/567848323.db2.gz QVAGLYGPTOYQLX-UHFFFAOYSA-N -1 0 278.348 3.693 50 0 CHAARM CC(C)[C@H](OC(=O)c1ccccc1C(=O)[O-])c1ccccc1 ZINC000003136974 567851632 /nfs/dbraw/zinc/85/16/32/567851632.db2.gz DHBXEZUAFMPFNK-INIZCTEOSA-N -1 0 298.338 3.939 50 0 CHAARM CCc1cccc2c(C(=O)[O-])cc(-c3ccccn3)nc12 ZINC000003856323 567854090 /nfs/dbraw/zinc/85/40/90/567854090.db2.gz AFSFELQGBPAFLE-UHFFFAOYSA-N -1 0 278.311 3.557 50 0 CHAARM Cc1ccc(-c2csc3[n-]c(=S)[nH]c(=O)c23)cc1C ZINC000003888416 567854384 /nfs/dbraw/zinc/85/43/84/567854384.db2.gz FUUWQFCIJLCWRJ-UHFFFAOYSA-N -1 0 288.397 3.557 50 0 CHAARM O=C([O-])c1ccc2[nH]c(-c3sccc3Cl)nc2c1 ZINC000004243007 567856245 /nfs/dbraw/zinc/85/62/45/567856245.db2.gz IDCAWLUVNIVRIO-UHFFFAOYSA-N -1 0 278.720 3.643 50 0 CHAARM CC(C)c1cc2cc(C(=O)[O-])[nH]c2c(Br)c1 ZINC000004234963 567856392 /nfs/dbraw/zinc/85/63/92/567856392.db2.gz SSSGGFJDQYICFI-UHFFFAOYSA-N -1 0 282.137 3.752 50 0 CHAARM O=C([O-])c1cn(Cc2ccccc2F)c2ccccc12 ZINC000004412587 567857395 /nfs/dbraw/zinc/85/73/95/567857395.db2.gz BOYUBGJOABBJBF-UHFFFAOYSA-N -1 0 269.275 3.527 50 0 CHAARM Cc1nc2cc(C(=O)[O-])ccc2n1-c1cc(C)cc(C)c1 ZINC000004638832 567858406 /nfs/dbraw/zinc/85/84/06/567858406.db2.gz QYJNXRAUZIPPLV-UHFFFAOYSA-N -1 0 280.327 3.649 50 0 CHAARM Cc1nc2cc(C(=O)[O-])ccc2n1-c1ccc(C)cc1C ZINC000004638830 567858633 /nfs/dbraw/zinc/85/86/33/567858633.db2.gz NFKMFKQSSTZBMA-UHFFFAOYSA-N -1 0 280.327 3.649 50 0 CHAARM O=C([O-])c1c(Cl)cc(OC(F)(F)F)cc1Cl ZINC000012359307 567862523 /nfs/dbraw/zinc/86/25/23/567862523.db2.gz HJBCPDRNEWTQCH-UHFFFAOYSA-N -1 0 275.009 3.590 50 0 CHAARM Cc1ccc(-n2[n-]c(=S)sc2=S)cc1Cl ZINC000012504652 567863494 /nfs/dbraw/zinc/86/34/94/567863494.db2.gz GKNWBMFWVYDEFB-UHFFFAOYSA-N -1 0 274.823 3.914 50 0 CHAARM O=C([O-])CS[C@H]1c2ccccc2Oc2ccc(F)cc21 ZINC000004387689 567864524 /nfs/dbraw/zinc/86/45/24/567864524.db2.gz SQWHWPZXIVFVTL-HNNXBMFYSA-N -1 0 290.315 3.839 50 0 CHAARM Cc1cc(N2CCCC[C@H]2C)nc(-c2ccccc2[O-])n1 ZINC000013121767 567864935 /nfs/dbraw/zinc/86/49/35/567864935.db2.gz FMZBBVHDLZXBKP-CYBMUJFWSA-N -1 0 283.375 3.536 50 0 CHAARM C[C@@H]1CCc2c(sc3[n-]c(=S)n(C4CC4)c(=O)c23)C1 ZINC000017023006 567874441 /nfs/dbraw/zinc/87/44/41/567874441.db2.gz KFQACORBQRVXCE-SSDOTTSWSA-N -1 0 292.429 3.580 50 0 CHAARM O=C([O-])Cc1ccccc1Oc1ccc(Cl)cc1 ZINC000028765500 567883813 /nfs/dbraw/zinc/88/38/13/567883813.db2.gz ALMJMOPIBISVHZ-UHFFFAOYSA-N -1 0 262.692 3.759 50 0 CHAARM Cc1ccc(-c2nc3cc(C)ccn3c2/C=C/C(=O)[O-])cc1 ZINC000031973158 567885591 /nfs/dbraw/zinc/88/55/91/567885591.db2.gz ONCWNXWDPWLCBO-BQYQJAHWSA-N -1 0 292.338 3.716 50 0 CHAARM O=C([O-])c1cc(C2CCCCC2)nc2ccccc21 ZINC000033488417 567886574 /nfs/dbraw/zinc/88/65/74/567886574.db2.gz PAMLFRMFHRJNCA-UHFFFAOYSA-N -1 0 255.317 3.981 50 0 CHAARM O=C([O-])c1csc(Nc2cc(Cl)cc(Cl)c2)n1 ZINC000033507830 567886714 /nfs/dbraw/zinc/88/67/14/567886714.db2.gz LOBXYNGAAGBPDF-UHFFFAOYSA-N -1 0 289.143 3.892 50 0 CHAARM O=C([O-])C[C@H](c1ccccc1)c1cc(Cl)ccc1O ZINC000002847139 567887352 /nfs/dbraw/zinc/88/73/52/567887352.db2.gz MXZMXRGCRQAVJR-GFCCVEGCSA-N -1 0 276.719 3.652 50 0 CHAARM O=C([O-])[C@@H]1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000034939269 567888919 /nfs/dbraw/zinc/88/89/19/567888919.db2.gz JJVOPJNIGSYPNV-VHSXEESVSA-N -1 0 278.739 3.575 50 0 CHAARM O=C([O-])CCCCCC(=O)c1ccc(Cl)cc1F ZINC000043214162 567892270 /nfs/dbraw/zinc/89/22/70/567892270.db2.gz ODWVPJSUSLWLEG-UHFFFAOYSA-N -1 0 272.703 3.697 50 0 CHAARM O=C([O-])c1c2cc(O)ccc2oc1-c1ccccc1 ZINC000000041691 567905418 /nfs/dbraw/zinc/90/54/18/567905418.db2.gz CRRSIUBBUSEXIN-UHFFFAOYSA-N -1 0 254.241 3.504 50 0 biogenic CHAARM O=c1nc(Cl)[nH]c2scc(-c3cccs3)c21 ZINC000095073942 567909047 /nfs/dbraw/zinc/90/90/47/567909047.db2.gz ULITUBDUZZJKGP-UHFFFAOYSA-N -1 0 268.750 3.779 50 0 CHAARM CC(C)n1c(=O)c2sc3ccccc3c2[n-]c1=S ZINC000000424659 567930538 /nfs/dbraw/zinc/93/05/38/567930538.db2.gz TYLSEEHMAVFQMA-UHFFFAOYSA-N -1 0 276.386 3.855 50 0 CHAARM Cc1cc(N2C[C@H](C)C[C@H](C)C2)nc(-c2ccccc2[O-])n1 ZINC000018208467 567940596 /nfs/dbraw/zinc/94/05/96/567940596.db2.gz ODRLNZFAGQVHGI-BETUJISGSA-N -1 0 297.402 3.640 50 0 CHAARM CC[C@@H]1CCC2=Nc3ccccc3[C@@H](C(=O)[O-])[C@H]2C1 ZINC000245226343 567944108 /nfs/dbraw/zinc/94/41/08/567944108.db2.gz RUOLINNBZYUUEU-IFUGULHKSA-N -1 0 257.333 3.767 50 0 CHAARM O=C([O-])CSc1csc(-c2ccc(Cl)cc2)n1 ZINC000041097471 567956009 /nfs/dbraw/zinc/95/60/09/567956009.db2.gz CNXYPIKVGXLCTO-UHFFFAOYSA-N -1 0 285.777 3.640 50 0 CHAARM O=C([O-])CC12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 ZINC000011919327 570221116 /nfs/dbraw/zinc/22/11/16/570221116.db2.gz HUDYINFVSMWUNU-MWABVPJASA-N -1 0 270.372 3.999 50 0 CHAARM O=C([O-])[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000019675451 570324735 /nfs/dbraw/zinc/32/47/35/570324735.db2.gz GZARGZVVWXVOKP-CYBMUJFWSA-N -1 0 264.683 3.696 50 0 CHAARM CCC/C(=C\C(=O)[O-])c1cc(Br)ccc1OC ZINC000036178605 570357869 /nfs/dbraw/zinc/35/78/69/570357869.db2.gz ITWBDYGWCLVAEY-VQHVLOKHSA-N -1 0 299.164 3.726 50 0 CHAARM O=C([O-])c1c(-c2ccc(Cl)s2)noc1C1CC1 ZINC000675057447 570364631 /nfs/dbraw/zinc/36/46/31/570364631.db2.gz GOMDQENJSICPOE-UHFFFAOYSA-N -1 0 269.709 3.632 50 0 CHAARM CC(C)(C)C[C@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)[O-] ZINC000221032146 1118249391 /nfs/dbraw/zinc/24/93/91/1118249391.db2.gz FXZCTBCVFGPHRI-VXGBXAGGSA-N -1 0 299.411 3.523 50 0 CHAARM CCCCn1cc(SCC(=O)[O-])c2ccccc21 ZINC000002988187 1119240408 /nfs/dbraw/zinc/24/04/08/1119240408.db2.gz RXNKIWUNAVPYPG-UHFFFAOYSA-N -1 0 263.362 3.618 50 0 CHAARM O=C([O-])c1cc(NN=Cc2ccsc2)ccc1Cl ZINC000254700257 1129704903 /nfs/dbraw/zinc/70/49/03/1129704903.db2.gz LPDFTUKZTWQLTJ-UHFFFAOYSA-N -1 0 280.736 3.546 50 0 CHAARM Cc1ccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)s1 ZINC000254814057 1129711536 /nfs/dbraw/zinc/71/15/36/1129711536.db2.gz VUAUGKILKHZLDI-UHFFFAOYSA-N -1 0 294.763 3.854 50 0 CHAARM O=C([O-])Cc1cc(Cl)ccc1Oc1ccc(F)cc1 ZINC000328579086 201945917 /nfs/dbraw/zinc/94/59/17/201945917.db2.gz OGVKMRDNRSRUHW-UHFFFAOYSA-N -1 0 280.682 3.899 50 0 CHAARM CC1=C(C)[C@]2(C)C(c3ccccc3)=C(C(=O)[O-])[C@@]12C ZINC000108639254 186224950 /nfs/dbraw/zinc/22/49/50/186224950.db2.gz DABIWKRIIJBOLR-IAGOWNOFSA-N -1 0 254.329 3.901 50 0 CHAARM [O-]c1c(Cl)cc(F)c(Br)c1Cl ZINC000253496177 189993831 /nfs/dbraw/zinc/99/38/31/189993831.db2.gz PRRQLVPCTWALNT-UHFFFAOYSA-N -1 0 259.889 3.601 50 0 CHAARM [O-]c1cc(C(F)(F)F)cc(Br)c1Cl ZINC000261493611 190039468 /nfs/dbraw/zinc/03/94/68/190039468.db2.gz FVGMEXJBBKYUQP-UHFFFAOYSA-N -1 0 275.451 3.827 50 0 CHAARM O=C([O-])/C=C/c1c(Cl)ccc(Cl)c1OC(F)F ZINC000263624768 190071016 /nfs/dbraw/zinc/07/10/16/190071016.db2.gz TZYIFFZIOKOLMS-DAFODLJHSA-N -1 0 283.057 3.693 50 0 CHAARM O=C([O-])/C=C/c1c(Cl)cc(Cl)cc1OC(F)F ZINC000263625063 190071213 /nfs/dbraw/zinc/07/12/13/190071213.db2.gz WKANJZCFSSLBSI-OWOJBTEDSA-N -1 0 283.057 3.693 50 0 CHAARM CSc1ccc(-c2cccc(CC(=O)[O-])c2)cc1 ZINC000001257598 169692903 /nfs/dbraw/zinc/69/29/03/169692903.db2.gz YOHAYEFGZFABAN-UHFFFAOYSA-N -1 0 258.342 3.703 50 0 CHAARM CCCCCC[C@H](C)OC(=O)c1ccccc1C(=O)[O-] ZINC000001605775 169723876 /nfs/dbraw/zinc/72/38/76/169723876.db2.gz DUJBEEUYBSLMGM-LBPRGKRZSA-N -1 0 278.348 3.901 50 0 CHAARM Cc1c(Cl)cccc1NC(=O)c1ccccc1C(=O)[O-] ZINC000002490701 169795253 /nfs/dbraw/zinc/79/52/53/169795253.db2.gz GQCLHBMPPLQYMC-UHFFFAOYSA-N -1 0 289.718 3.599 50 0 CHAARM CCCc1ccc(OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000003217857 169869088 /nfs/dbraw/zinc/86/90/88/169869088.db2.gz JGCWCLCLHUPLGM-UHFFFAOYSA-N -1 0 270.328 3.916 50 0 CHAARM CC1(C)[C@@H](c2nc3ccccc3[nH]2)CC[C@@]1(C)C(=O)[O-] ZINC000003613692 169902942 /nfs/dbraw/zinc/90/29/42/169902942.db2.gz CBFUDFNIKRRVDP-HWPZZCPQSA-N -1 0 272.348 3.557 50 0 CHAARM C[P@@](=O)([O-])O[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000004952006 170044748 /nfs/dbraw/zinc/04/47/48/170044748.db2.gz CWEREINHHVRRNI-QMMMGPOBSA-N -1 0 288.589 3.775 50 0 CHAARM CC(C)(C)[C@H]1CCc2c(sc3[n-]c(=S)[nH]c(=O)c23)C1 ZINC000005130784 170069081 /nfs/dbraw/zinc/06/90/81/170069081.db2.gz GUCWTMVXCIIUAL-ZETCQYMHSA-N -1 0 294.445 3.798 50 0 CHAARM Cc1ccc(Oc2coc3cc([O-])ccc3c2=O)cc1 ZINC000005730533 170134439 /nfs/dbraw/zinc/13/44/39/170134439.db2.gz LAQIGYBWXRPPEA-UHFFFAOYSA-N -1 0 268.268 3.599 50 0 biogenic CHAARM Cc1cccc(-n2c(Cc3ccccc3)n[n-]c2=S)c1 ZINC000005926828 170156330 /nfs/dbraw/zinc/15/63/30/170156330.db2.gz YYXSEJIFRYPETQ-UHFFFAOYSA-N -1 0 281.384 3.829 50 0 CHAARM O=C([O-])c1cccc(NC(=O)c2ccc3ccccc3c2)c1 ZINC000008382148 170334029 /nfs/dbraw/zinc/33/40/29/170334029.db2.gz YDDNYUJRUQYRAJ-UHFFFAOYSA-N -1 0 291.306 3.790 50 0 CHAARM Cc1cccc(C)c1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000008987306 170360706 /nfs/dbraw/zinc/36/07/06/170360706.db2.gz HDIDGHNAOIFVLB-UHFFFAOYSA-N -1 0 289.375 3.667 50 0 CHAARM CCCCc1c(C)nc2[n-]c(C3CCCCC3)nn2c1=O ZINC000009167905 170365202 /nfs/dbraw/zinc/36/52/02/170365202.db2.gz KDRHYCQQDBDAJM-UHFFFAOYSA-N -1 0 288.395 3.529 50 0 CHAARM Cc1cc2c(s1)CCc1cc(C(=O)[O-])sc1-2 ZINC000009777198 170385647 /nfs/dbraw/zinc/38/56/47/170385647.db2.gz OPUHVOSVZOTRAV-UHFFFAOYSA-N -1 0 250.344 3.582 50 0 CHAARM O=C([O-])CCCC(=O)N(c1ccccc1)c1ccccc1 ZINC000009849486 170386949 /nfs/dbraw/zinc/38/69/49/170386949.db2.gz VNJMFJOZOGJHNM-UHFFFAOYSA-N -1 0 283.327 3.606 50 0 CHAARM COc1cccc(CNc2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000016579170 170702827 /nfs/dbraw/zinc/70/28/27/170702827.db2.gz XAZKQFISXMLNNE-UHFFFAOYSA-N -1 0 291.734 3.659 50 0 CHAARM Cc1cc(Cl)ccc1O[C@@H](C(=O)[O-])c1ccccc1 ZINC000019669930 170835197 /nfs/dbraw/zinc/83/51/97/170835197.db2.gz YNXFAEHDDVUDKC-CQSZACIVSA-N -1 0 276.719 3.853 50 0 CHAARM O=C([O-])c1c2ccccc2nc2c1CCCCCC2 ZINC000019792354 170868007 /nfs/dbraw/zinc/86/80/07/170868007.db2.gz IDHKDXPCZXZWOZ-UHFFFAOYSA-N -1 0 255.317 3.592 50 0 CHAARM Cc1ccc2nc(-c3ccc(O)cc3)c(C)c(C(=O)[O-])c2c1 ZINC000020407601 171183257 /nfs/dbraw/zinc/18/32/57/171183257.db2.gz FCOQTCRBVHUZFL-UHFFFAOYSA-N -1 0 293.322 3.922 50 0 CHAARM Cc1ccc2nc(C(=O)[O-])cc(Nc3ccc(F)cc3)c2c1 ZINC000021657762 171318191 /nfs/dbraw/zinc/31/81/91/171318191.db2.gz YWNZPDSWKBJOFX-UHFFFAOYSA-N -1 0 296.301 3.546 50 0 CHAARM Cc1cccc(Nc2cc(C(=O)[O-])c3ccccc3n2)c1 ZINC000021715302 171319524 /nfs/dbraw/zinc/31/95/24/171319524.db2.gz NOZVKVQTDSYORP-UHFFFAOYSA-N -1 0 278.311 3.985 50 0 CHAARM COc1ccc(/C=C\C(=O)[O-])cc1COc1cccc(C)c1 ZINC000033310940 171781723 /nfs/dbraw/zinc/78/17/23/171781723.db2.gz WZHFSVKLECIXPE-CLFYSBASSA-N -1 0 298.338 3.680 50 0 CHAARM O=C([O-])c1cc(NCc2ccccc2)nc2ccccc21 ZINC000037336674 173137380 /nfs/dbraw/zinc/13/73/80/173137380.db2.gz MWNFPIDJPGPAPF-UHFFFAOYSA-N -1 0 278.311 3.545 50 0 CHAARM O=C([O-])c1cccc(Oc2cccc(C(F)(F)F)n2)c1 ZINC000044479788 175179580 /nfs/dbraw/zinc/17/95/80/175179580.db2.gz UWYPBJPQEGBZET-UHFFFAOYSA-N -1 0 283.205 3.591 50 0 CHAARM O=C([O-])CCCCc1cccc(-c2ccncc2)c1 ZINC000534650476 328336845 /nfs/dbraw/zinc/33/68/45/328336845.db2.gz AEKDUOWCYRDSFM-UHFFFAOYSA-N -1 0 255.317 3.546 50 0 CHAARM Cc1sccc1/C=C\c1ncc(C(=O)[O-])c(C(C)C)n1 ZINC000453037169 331084477 /nfs/dbraw/zinc/08/44/77/331084477.db2.gz ZXTWSEKNUMPMAK-PLNGDYQASA-N -1 0 288.372 3.839 50 0 CHAARM O=C([O-])c1ccccc1COc1ccc(Cl)cc1 ZINC000000332399 567825681 /nfs/dbraw/zinc/82/56/81/567825681.db2.gz HAHXHVBOEOOXNS-UHFFFAOYSA-N -1 0 262.692 3.617 50 0 CHAARM O=[S@]([O-])c1ccc(Oc2ccccc2Cl)cc1 ZINC000675059365 570365331 /nfs/dbraw/zinc/36/53/31/570365331.db2.gz GVRCWFCVKFUPJV-UHFFFAOYSA-N -1 0 268.721 3.713 50 0 CHAARM Cc1nc(C)c(-c2cc(C(=O)[O-])c3ccccc3n2)s1 ZINC000070164788 566914363 /nfs/dbraw/zinc/91/43/63/566914363.db2.gz IHZFYXYAPKHKDU-UHFFFAOYSA-N -1 0 284.340 3.673 50 0 CHAARM O=C(NCCC1=CCCCC1)c1ccc([O-])c(Cl)c1 ZINC000012922557 566930943 /nfs/dbraw/zinc/93/09/43/566930943.db2.gz BIHFVBVYFMGWCX-UHFFFAOYSA-N -1 0 279.767 3.666 50 0 CHAARM O=C([O-])c1ccc(-c2ccc(OCC3CC3)cc2)s1 ZINC000040449451 566952797 /nfs/dbraw/zinc/95/27/97/566952797.db2.gz HJBMBXQWLLEQEV-UHFFFAOYSA-N -1 0 274.341 3.902 50 0 CHAARM O=C([O-])C[C@@H]1c2ccccc2CSc2ccccc21 ZINC000003619842 567017326 /nfs/dbraw/zinc/01/73/26/567017326.db2.gz MYBCZRPHNGTXMY-CQSZACIVSA-N -1 0 270.353 3.899 50 0 CHAARM O=C([O-])C[C@@H](c1ccc(F)cc1)c1cccc(F)c1 ZINC000011629047 567061365 /nfs/dbraw/zinc/06/13/65/567061365.db2.gz AVZZAZDBRVWAMZ-AWEZNQCLSA-N -1 0 262.255 3.571 50 0 CHAARM O=C([O-])c1c2ccc(O)cc2oc1-c1ccccc1 ZINC000105642270 567092744 /nfs/dbraw/zinc/09/27/44/567092744.db2.gz OGVLZIUPBVERMN-UHFFFAOYSA-N -1 0 254.241 3.504 50 0 CHAARM COc1ccc2[nH]c(C(=O)[O-])c(-c3ccccc3)c2c1 ZINC000004042235 567184033 /nfs/dbraw/zinc/18/40/33/567184033.db2.gz XXBOTXOFJPOAAR-UHFFFAOYSA-N -1 0 267.284 3.542 50 0 biogenic CHAARM Cc1ccc(C(=O)[C@@H]2C[C@@H](C(=O)[O-])C(C)(C)[C@@H]2C)c(C)c1 ZINC000059402453 567212598 /nfs/dbraw/zinc/21/25/98/567212598.db2.gz YUQKJNKZHLWJHK-YUELXQCFSA-N -1 0 288.387 3.869 50 0 CHAARM Nc1ccc(NC(=O)c2cc(Cl)ccc2[O-])c(Cl)c1 ZINC000000246015 567822912 /nfs/dbraw/zinc/82/29/12/567822912.db2.gz UTLJGBYDUIOYNG-UHFFFAOYSA-N -1 0 297.141 3.534 50 0 CHAARM O=S(=O)([N-]c1ccc2ccccc2c1)c1cccs1 ZINC000000241766 567822962 /nfs/dbraw/zinc/82/29/62/567822962.db2.gz BRVPGRSZFMGAPH-UHFFFAOYSA-N -1 0 289.381 3.702 50 0 CHAARM Cc1ccc(CSCc2ccc(C(=O)[O-])o2)cc1 ZINC000000266751 567823391 /nfs/dbraw/zinc/82/33/91/567823391.db2.gz WYLCOKVKQDPXQZ-UHFFFAOYSA-N -1 0 262.330 3.720 50 0 CHAARM C[C@@H](c1ccccc1)[C@@H](CC(=O)Nc1ccccc1)C(=O)[O-] ZINC000000297066 567824354 /nfs/dbraw/zinc/82/43/54/567824354.db2.gz BDMDXLRFUPFFHD-XJKSGUPXSA-N -1 0 297.354 3.520 50 0 CHAARM C=Cc1ccccc1/C=C(/C(=O)[O-])c1ccccc1 ZINC000000330187 567825707 /nfs/dbraw/zinc/82/57/07/567825707.db2.gz PSEYKFRIRANLGX-FOWTUZBSSA-N -1 0 250.297 3.955 50 0 CHAARM O=C([O-])C[C@@H](CCc1ccccc1)c1ccccc1 ZINC000000338894 567825716 /nfs/dbraw/zinc/82/57/16/567825716.db2.gz KADKHVAFGMMXGM-MRXNPFEDSA-N -1 0 254.329 3.878 50 0 CHAARM CCc1ccc(CNc2ccc(C(=O)[O-])cc2)cc1 ZINC000000359930 567826698 /nfs/dbraw/zinc/82/66/98/567826698.db2.gz XBDAYBXUBHAAAB-UHFFFAOYSA-N -1 0 255.317 3.559 50 0 CHAARM O=C([O-])/C=C/c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000000445182 567830709 /nfs/dbraw/zinc/83/07/09/567830709.db2.gz JYTTUZGNGPOHCQ-CMDGGOBGSA-N -1 0 296.351 3.699 50 0 CHAARM Cc1cc(-c2csc([N-]c3ncccn3)n2)ccc1F ZINC000000469160 567832031 /nfs/dbraw/zinc/83/20/31/567832031.db2.gz ALVXKSHNMKZAHK-UHFFFAOYSA-N -1 0 286.335 3.791 50 0 CHAARM O=C(c1coc2ccc(O)cc12)c1ccc(F)cc1 ZINC000000551456 567833401 /nfs/dbraw/zinc/83/34/01/567833401.db2.gz PYUTWUDWRGHBJL-UHFFFAOYSA-N -1 0 256.232 3.509 50 0 CHAARM O=C([O-])c1ccccc1C(=O)c1ccc2ccccc2c1 ZINC000001512447 567837473 /nfs/dbraw/zinc/83/74/73/567837473.db2.gz BGLNPRRTOGJLIE-UHFFFAOYSA-N -1 0 276.291 3.769 50 0 CHAARM CCc1ccc2nc(-c3ccccn3)cc(C(=O)[O-])c2c1 ZINC000001459202 567837721 /nfs/dbraw/zinc/83/77/21/567837721.db2.gz MQZUPNAVDKABPT-UHFFFAOYSA-N -1 0 278.311 3.557 50 0 CHAARM O=C([O-])c1ccc(OCc2ccccc2)c(Cl)c1 ZINC000001745669 567843088 /nfs/dbraw/zinc/84/30/88/567843088.db2.gz MQUAYIQAPMFLCC-UHFFFAOYSA-N -1 0 262.692 3.617 50 0 in-vitro CHAARM O=C([O-])/C(=C/C=C/c1ccccc1)c1ccccc1 ZINC000002173204 567845055 /nfs/dbraw/zinc/84/50/55/567845055.db2.gz KBVJPYCDOSNQRI-NJKRNUQASA-N -1 0 250.297 3.868 50 0 CHAARM Cc1ccc(C)n1-c1sc2c(c1C(=O)[O-])CCCC2 ZINC000002481612 567846034 /nfs/dbraw/zinc/84/60/34/567846034.db2.gz SJKZSURXGGPPSD-UHFFFAOYSA-N -1 0 275.373 3.733 50 0 CHAARM O=C([O-])/C=C/c1cccnc1Sc1ccc(Cl)cc1 ZINC000002505797 567846308 /nfs/dbraw/zinc/84/63/08/567846308.db2.gz YMZUAQVYYHUYQJ-FPYGCLRLSA-N -1 0 291.759 3.984 50 0 CHAARM CCCCP(=O)(CCCC)c1ccccc1C(=O)[O-] ZINC000003105897 567851349 /nfs/dbraw/zinc/85/13/49/567851349.db2.gz IWRJWPTYLRRNOD-UHFFFAOYSA-N -1 0 282.320 3.973 50 0 CHAARM O=C([O-])c1cc2sccc2n1Cc1ccc(F)cc1 ZINC000003030946 567851404 /nfs/dbraw/zinc/85/14/04/567851404.db2.gz SXAQUTFTNUVQFM-UHFFFAOYSA-N -1 0 275.304 3.588 50 0 CHAARM O=C([O-])c1ccccc1CSc1nc2ccccc2[nH]1 ZINC000003366270 567852454 /nfs/dbraw/zinc/85/24/54/567852454.db2.gz OSEDENJNARMLNG-UHFFFAOYSA-N -1 0 284.340 3.553 50 0 CHAARM Cc1oc(C23CC4CC(CC(C4)C2)C3)cc1C(=O)[O-] ZINC000004653525 567858388 /nfs/dbraw/zinc/85/83/88/567858388.db2.gz MZLWBWYJWTUSEU-UHFFFAOYSA-N -1 0 260.333 3.754 50 0 CHAARM CCn1c(=O)c2c(-c3cccs3)csc2[n-]c1=S ZINC000013143201 567865369 /nfs/dbraw/zinc/86/53/69/567865369.db2.gz NRUIJZZBQQZHSB-UHFFFAOYSA-N -1 0 294.426 3.869 50 0 CHAARM Cc1ccccc1-c1n[nH]c(=S)n1Cc1ccccc1 ZINC000013522557 567866310 /nfs/dbraw/zinc/86/63/10/567866310.db2.gz PWUDYAOGGOOYEC-UHFFFAOYSA-N -1 0 281.384 3.964 50 0 CHAARM O=C([O-])c1cc(-c2ccc(/C=C\[N+](=O)[O-])o2)ccc1Cl ZINC000033317315 567886694 /nfs/dbraw/zinc/88/66/94/567886694.db2.gz RVIQQHUTESHFRT-WAYWQWQTSA-N -1 0 293.662 3.546 50 0 CHAARM Cc1onc(-c2cc(Cl)cc(Cl)c2)c1C(=O)[O-] ZINC000070535704 567888114 /nfs/dbraw/zinc/88/81/14/567888114.db2.gz WMCPMRCFYXTUOH-UHFFFAOYSA-N -1 0 272.087 3.655 50 0 CHAARM O=C([O-])C[C@@H](c1ccccc1)c1cc(Cl)ccc1O ZINC000004281544 567888197 /nfs/dbraw/zinc/88/81/97/567888197.db2.gz MXZMXRGCRQAVJR-LBPRGKRZSA-N -1 0 276.719 3.652 50 0 CHAARM CCOc1cccc(/C=C/C(=O)[O-])c1OC1CCCC1 ZINC000036672442 567889894 /nfs/dbraw/zinc/88/98/94/567889894.db2.gz YSXIQHFXAJEJJY-ZHACJKMWSA-N -1 0 276.332 3.505 50 0 CHAARM CCC(CC)(C(=O)[O-])C(O)(c1ccccc1)c1ccccc1 ZINC000071771678 567901633 /nfs/dbraw/zinc/90/16/33/567901633.db2.gz NBLBMPGTZBOGLC-UHFFFAOYSA-N -1 0 298.382 3.814 50 0 CHAARM COc1ccc2c(c1)CCC1=C2CC[C@@H](C(=O)[O-])[C@H]1C ZINC000001670319 567908035 /nfs/dbraw/zinc/90/80/35/567908035.db2.gz LSKSKLUVAZWZLX-IINYFYTJSA-N -1 0 272.344 3.526 50 0 CHAARM O=C([O-])c1cc(Cl)c(Cl)c(OC(F)(F)F)c1 ZINC000098210729 567911601 /nfs/dbraw/zinc/91/16/01/567911601.db2.gz IRWAVKNUXZPMLN-UHFFFAOYSA-N -1 0 275.009 3.590 50 0 CHAARM O=C(C=C([O-])c1ccc2ccccc2c1)C(F)(F)F ZINC000100021167 567911968 /nfs/dbraw/zinc/91/19/68/567911968.db2.gz WVVLURYIQCXPIV-UHFFFAOYSA-N -1 0 266.218 3.544 50 0 CHAARM CCOc1cc([O-])cc2oc(-c3ccccc3)cc(=O)c12 ZINC000011865282 567928524 /nfs/dbraw/zinc/92/85/24/567928524.db2.gz SGFJWXLZCYVKLC-UHFFFAOYSA-N -1 0 282.295 3.564 50 0 biogenic CHAARM Cc1cc(C)c(NC(=O)c2ccccc2C(=O)[O-])c(C)c1 ZINC000002900627 567937828 /nfs/dbraw/zinc/93/78/28/567937828.db2.gz WPQWDSYCEPUTEA-UHFFFAOYSA-N -1 0 283.327 3.562 50 0 CHAARM Cc1ccc(NC(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000003159902 567938841 /nfs/dbraw/zinc/93/88/41/567938841.db2.gz KLORATCDRSXVPO-UHFFFAOYSA-N -1 0 261.708 3.606 50 0 CHAARM Cc1sc2ncnc(Nc3cccc(C(=O)[O-])c3)c2c1C ZINC000000085160 570218518 /nfs/dbraw/zinc/21/85/18/570218518.db2.gz JVLAOJFMJWITIO-UHFFFAOYSA-N -1 0 299.355 3.750 50 0 CHAARM O=C([O-])c1ccc(-c2ccccc2F)cc1Cl ZINC000047207044 570237282 /nfs/dbraw/zinc/23/72/82/570237282.db2.gz FCNJDIOIIUXXRK-UHFFFAOYSA-N -1 0 250.656 3.844 50 0 CHAARM COc1cc(Cl)cc(-c2cccc(C(=O)[O-])c2)c1 ZINC000065336966 570243733 /nfs/dbraw/zinc/24/37/33/570243733.db2.gz HTTQWXUOAKRUBK-UHFFFAOYSA-N -1 0 262.692 3.714 50 0 CHAARM COc1ccc(-c2cccc(C(=O)[O-])c2)c(Cl)c1 ZINC000065336991 570243757 /nfs/dbraw/zinc/24/37/57/570243757.db2.gz UQIHUVBRQAKJHD-UHFFFAOYSA-N -1 0 262.692 3.714 50 0 CHAARM COc1cc(Cl)ccc1-c1ccccc1C(=O)[O-] ZINC000065339809 570243991 /nfs/dbraw/zinc/24/39/91/570243991.db2.gz UJXHLFMAPXKPKY-UHFFFAOYSA-N -1 0 262.692 3.714 50 0 CHAARM Cc1ccc(C)c(CSc2ncccc2C(=O)[O-])c1 ZINC000004675660 570247803 /nfs/dbraw/zinc/24/78/03/570247803.db2.gz HKWXQGKDNCPCLV-UHFFFAOYSA-N -1 0 273.357 3.689 50 0 CHAARM CCCc1c(C)c2ccccc2nc1SCC(=O)[O-] ZINC000004869726 570267043 /nfs/dbraw/zinc/26/70/43/570267043.db2.gz BLRNITKOOSVKHC-UHFFFAOYSA-N -1 0 275.373 3.672 50 0 CHAARM CC(=CN=Nc1ccc(C(=O)[O-])cc1)Cc1ccccc1 ZINC000254397518 1127087201 /nfs/dbraw/zinc/08/72/01/1127087201.db2.gz VZQBFXBXEWANOG-OWISRODJSA-N -1 0 280.327 3.886 50 0 CHAARM O=C(c1ccccc1)c1ccc([O-])c(Cl)c1Cl ZINC000034204878 1120625700 /nfs/dbraw/zinc/62/57/00/1120625700.db2.gz OJBNGDHMKPZILA-UHFFFAOYSA-N -1 0 267.111 3.930 50 0 CHAARM CCO[N-]C(=O)[C@@H](C)Sc1cc(Cl)ccc1Cl ZINC000048345845 1120811259 /nfs/dbraw/zinc/81/12/59/1120811259.db2.gz NCGPYHQEJYFQQZ-SSDOTTSWSA-N -1 0 294.203 3.542 50 0 CHAARM O=C([O-])c1ccc(-c2cccc(Cl)c2)nc1Cl ZINC000000349998 1121117009 /nfs/dbraw/zinc/11/70/09/1121117009.db2.gz KPAANIGWRMNSOE-UHFFFAOYSA-N -1 0 268.099 3.754 50 0 CHAARM O=C([O-])C/C(=C/c1cccc(F)c1)c1nc2ccccc2o1 ZINC000022024850 1124110117 /nfs/dbraw/zinc/11/01/17/1124110117.db2.gz XWVOOIVEEGQZLD-WQLSENKSSA-N -1 0 297.285 3.982 50 0 CHAARM CC(C)(C)OC(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000002583039 169813760 /nfs/dbraw/zinc/81/37/60/169813760.db2.gz PPCLHPCNVVTJAE-UHFFFAOYSA-N -1 0 287.315 3.885 50 0 CHAARM O=C([O-])c1cccc(Nc2nc(-c3cccnc3)cs2)c1 ZINC000000088590 169531903 /nfs/dbraw/zinc/53/19/03/169531903.db2.gz GYBUNGLVJFAWIE-UHFFFAOYSA-N -1 0 297.339 3.647 50 0 CHAARM O=C([O-])/C=C/c1ccccc1Oc1cc(F)cc(F)c1 ZINC000000170418 169562704 /nfs/dbraw/zinc/56/27/04/169562704.db2.gz YYTZSEVRYLWYAZ-AATRIKPKSA-N -1 0 276.238 3.855 50 0 CHAARM O=C([O-])c1cccc(C(=O)c2cccc3ccccc32)c1 ZINC000000345516 169613022 /nfs/dbraw/zinc/61/30/22/169613022.db2.gz NXETZIFZSCDHDZ-UHFFFAOYSA-N -1 0 276.291 3.769 50 0 CHAARM O=C([O-])c1ccc(-c2cccc(OC(F)(F)F)c2)o1 ZINC000000570083 169670223 /nfs/dbraw/zinc/67/02/23/169670223.db2.gz KQWAVEWJCFSUOZ-UHFFFAOYSA-N -1 0 272.178 3.543 50 0 CHAARM CCCCc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000002027958 169769108 /nfs/dbraw/zinc/76/91/08/169769108.db2.gz XEPWJZBIXZBYDF-UHFFFAOYSA-N -1 0 297.354 3.980 50 0 CHAARM O=C([O-])c1ccc(COc2ccccc2Cl)cc1 ZINC000004165441 169940168 /nfs/dbraw/zinc/94/01/68/169940168.db2.gz YJDZJDKPESDFTK-UHFFFAOYSA-N -1 0 262.692 3.617 50 0 CHAARM O=C([O-])[C@@H](Nc1ccccc1F)c1ccc(Cl)cc1 ZINC000004253461 169949889 /nfs/dbraw/zinc/94/98/89/169949889.db2.gz SMBRZKRAJHJDHA-ZDUSSCGKSA-N -1 0 279.698 3.717 50 0 CHAARM CCc1c(C)c2ccccc2nc1SCCC(=O)[O-] ZINC000004536063 169979790 /nfs/dbraw/zinc/97/97/90/169979790.db2.gz KCHLIHJLOJXXLN-UHFFFAOYSA-N -1 0 275.373 3.672 50 0 CHAARM CCCCNc1c(Cl)c(Cl)nc(Cl)c1C(=O)[O-] ZINC000004573221 169985880 /nfs/dbraw/zinc/98/58/80/169985880.db2.gz UUDQOMGCBJQENW-UHFFFAOYSA-N -1 0 297.569 3.952 50 0 CHAARM Cc1cccc(Cl)c1NC(=O)c1ccccc1C(=O)[O-] ZINC000004795879 170018466 /nfs/dbraw/zinc/01/84/66/170018466.db2.gz PMPXSUYVSKCEBM-UHFFFAOYSA-N -1 0 289.718 3.599 50 0 CHAARM CC(C)[C@H](OC(=O)c1ccccc1C(=O)[O-])C(C)(C)C ZINC000004824181 170024054 /nfs/dbraw/zinc/02/40/54/170024054.db2.gz VIWJUEVXVSSDMX-ZDUSSCGKSA-N -1 0 278.348 3.612 50 0 CHAARM Cc1cccc2c(C)c(CCC(=O)[O-])c(Cl)nc12 ZINC000004906982 170039957 /nfs/dbraw/zinc/03/99/57/170039957.db2.gz PZBLOXKQTPKFFE-UHFFFAOYSA-N -1 0 263.724 3.522 50 0 CHAARM CC[C@@H](C)n1c(=O)c2c3c(sc2[n-]c1=S)CCCC3 ZINC000006016523 170168348 /nfs/dbraw/zinc/16/83/48/170168348.db2.gz FXYNFEMDQAPXHP-MRVPVSSYSA-N -1 0 294.445 3.970 50 0 CHAARM CC(C)(C)OC(=O)NCCCCCCCCCC(=O)[O-] ZINC000006186790 170181386 /nfs/dbraw/zinc/18/13/86/170181386.db2.gz DUNPXMOBBKBKHK-UHFFFAOYSA-N -1 0 287.400 3.717 50 0 in-vitro CHAARM CC(C)c1c(O)c2c(n(-c3ccccc3)c1=O)CCCC2 ZINC000006493137 170206515 /nfs/dbraw/zinc/20/65/15/170206515.db2.gz OBTGYWKIIXKBPO-UHFFFAOYSA-N -1 0 283.371 3.545 50 0 CHAARM Cc1cccc2c(C(=O)[O-])cc(-c3ccccc3)nc12 ZINC000006659582 170223228 /nfs/dbraw/zinc/22/32/28/170223228.db2.gz KNNHBYHNBLIQDB-UHFFFAOYSA-N -1 0 263.296 3.908 50 0 biogenic CHAARM Cc1ccc2[nH]c(SCc3cccc(C(=O)[O-])c3)nc2c1 ZINC000008701160 170346875 /nfs/dbraw/zinc/34/68/75/170346875.db2.gz MUVSIACOWODQGQ-UHFFFAOYSA-N -1 0 298.367 3.862 50 0 CHAARM Cc1ccc(NC(=O)CC2(C(=O)[O-])CCCCC2)c(C)c1 ZINC000008922293 170359186 /nfs/dbraw/zinc/35/91/86/170359186.db2.gz XMUJQSHPVVOESD-UHFFFAOYSA-N -1 0 289.375 3.667 50 0 CHAARM Cc1ccccc1NC(=O)CC1(C(=O)[O-])CCCCCC1 ZINC000013249826 170541139 /nfs/dbraw/zinc/54/11/39/170541139.db2.gz KPOJOUBDLIITFP-UHFFFAOYSA-N -1 0 289.375 3.749 50 0 CHAARM Cc1cc(C(=O)[O-])ccc1NC(=O)CCC1CCCC1 ZINC000013391159 170547740 /nfs/dbraw/zinc/54/77/40/170547740.db2.gz QEYUQXYRCGZGDH-UHFFFAOYSA-N -1 0 275.348 3.602 50 0 CHAARM O=C([O-])c1ccccc1CSCc1ccccc1 ZINC000020394948 171181107 /nfs/dbraw/zinc/18/11/07/171181107.db2.gz MIGSCMARIDTLSF-UHFFFAOYSA-N -1 0 258.342 3.818 50 0 CHAARM O=C([O-])c1cc(-c2ccco2)nc2c1cnn2C1CCCC1 ZINC000022222266 171378903 /nfs/dbraw/zinc/37/89/03/171378903.db2.gz KRTCGWKYWXVPFU-UHFFFAOYSA-N -1 0 297.314 3.505 50 0 CHAARM O=C([O-])c1ccc(SCc2nc3ccccc3[nH]2)cc1 ZINC000037429614 173199865 /nfs/dbraw/zinc/19/98/65/173199865.db2.gz DQUZNEKBMAVVOI-UHFFFAOYSA-N -1 0 284.340 3.553 50 0 CHAARM CC(C)C[C@@H](Cc1cccc(Br)c1)C(=O)[O-] ZINC000037653646 173603811 /nfs/dbraw/zinc/60/38/11/173603811.db2.gz ITEGDFSRLXAEGQ-NSHDSACASA-N -1 0 285.181 3.739 50 0 CHAARM COc1ccc(Cl)cc1-c1ccc(F)cc1C(=O)[O-] ZINC000038068177 174079985 /nfs/dbraw/zinc/07/99/85/174079985.db2.gz VCIPYGUHTGZRPW-UHFFFAOYSA-N -1 0 280.682 3.853 50 0 CHAARM O=C([O-])Cc1c(Cl)c(Cl)ccc1C(F)(F)F ZINC000038529664 174144170 /nfs/dbraw/zinc/14/41/70/174144170.db2.gz LYKFEAIUZGMHGX-UHFFFAOYSA-N -1 0 273.037 3.639 50 0 CHAARM CCC[C@H]1Cc2cc([O-])c(Cl)c(Cl)c2C1=O ZINC000040443194 174263760 /nfs/dbraw/zinc/26/37/60/174263760.db2.gz JVIURHJLQOAEEY-LURJTMIESA-N -1 0 259.132 3.854 50 0 CHAARM O=C([O-])[C@@H]1CCC[C@H](CC(=O)c2ccc(Cl)cc2)C1 ZINC000043879459 175116084 /nfs/dbraw/zinc/11/60/84/175116084.db2.gz XINNVJVACLFOKY-CMPLNLGQSA-N -1 0 280.751 3.804 50 0 CHAARM CC1=Nc2c(c(=O)[n-]n2C(C)C)[C@@H](C(F)(F)F)S1 ZINC000071285260 176109696 /nfs/dbraw/zinc/10/96/96/176109696.db2.gz KRKVYUVVMDUMPJ-ZETCQYMHSA-N -1 0 279.287 3.570 50 0 CHAARM CC[C@@H](C)c1ccc(-c2c(C)nn(C)c2C(=O)[O-])cc1 ZINC000534640198 328336024 /nfs/dbraw/zinc/33/60/24/328336024.db2.gz HNFPTRROYJYOTR-SNVBAGLBSA-N -1 0 272.348 3.607 50 0 CHAARM CCn1c(=O)c2scc(-c3ccccc3)c2[n-]c1=S ZINC000015829084 523108167 /nfs/dbraw/zinc/10/81/67/523108167.db2.gz UUBQTELRWXCHRN-UHFFFAOYSA-N -1 0 288.397 3.807 50 0 CHAARM Cc1nc(Nc2ccccc2Cl)sc1C(=O)[O-] ZINC000000873562 567835160 /nfs/dbraw/zinc/83/51/60/567835160.db2.gz BIZWKSKKXYOBFX-UHFFFAOYSA-N -1 0 268.725 3.547 50 0 CHAARM C[C@H](Sc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000011993908 570394837 /nfs/dbraw/zinc/39/48/37/570394837.db2.gz XECKVRUWGDNORW-YFKPBYRVSA-N -1 0 251.134 3.559 50 0 CHAARM CC[C@@]1(C)Cc2c(sc3[n-]c(=S)[nH]c(=S)c23)CO1 ZINC000001259281 566860672 /nfs/dbraw/zinc/86/06/72/566860672.db2.gz HNPNHWDLKLBDBW-LBPRGKRZSA-N -1 0 298.458 3.884 50 0 CHAARM O=C([O-])c1c(C(=O)c2ccc(F)cc2)ccc2ccccc21 ZINC000001600359 566911812 /nfs/dbraw/zinc/91/18/12/566911812.db2.gz WZZGNSQXZZKCKM-UHFFFAOYSA-N -1 0 294.281 3.908 50 0 CHAARM CC(C)(Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)C(=O)[O-] ZINC000002005072 566934953 /nfs/dbraw/zinc/93/49/53/566934953.db2.gz KPSRODZRAIWAKH-JTQLQIEISA-N -1 0 289.158 3.590 50 0 world CHAARM O=C(N=c1nc(-c2ccccc2)[n-]s1)Oc1ccccc1 ZINC000075283808 566941220 /nfs/dbraw/zinc/94/12/20/566941220.db2.gz UEXSJWBHEPMYLP-UHFFFAOYSA-N -1 0 297.339 3.816 50 0 CHAARM Cn1c2ccccc2c(CNc2cccc(F)c2)c1C(=O)[O-] ZINC000065315792 567005843 /nfs/dbraw/zinc/00/58/43/567005843.db2.gz WBDPRVMFWDSJAV-UHFFFAOYSA-N -1 0 298.317 3.628 50 0 CHAARM C[P@](=O)([O-])[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000004119571 567186449 /nfs/dbraw/zinc/18/64/49/567186449.db2.gz XRQKKNWQJRBVFE-MRVPVSSYSA-N -1 0 272.590 3.844 50 0 CHAARM O=C([O-])CCCc1cccc(OCc2ccccc2)c1 ZINC000140415155 567195442 /nfs/dbraw/zinc/19/54/42/567195442.db2.gz YDEKKKRGMSOREA-UHFFFAOYSA-N -1 0 270.328 3.673 50 0 CHAARM Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)[O-] ZINC000000035860 567816663 /nfs/dbraw/zinc/81/66/63/567816663.db2.gz ZSVACLAZDFXWQG-UHFFFAOYSA-N -1 0 263.296 3.908 50 0 CHAARM CCc1c(C)nc2c(C)cccc2c1SCCC(=O)[O-] ZINC000000045651 567816981 /nfs/dbraw/zinc/81/69/81/567816981.db2.gz FZEPVDPNSSNHSS-UHFFFAOYSA-N -1 0 289.400 3.981 50 0 CHAARM O=C([O-])CSc1cccc2cccc(Cl)c21 ZINC000000132046 567819375 /nfs/dbraw/zinc/81/93/75/567819375.db2.gz WPNAGQJVWAFQJV-UHFFFAOYSA-N -1 0 252.722 3.670 50 0 CHAARM CC(C)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000000170197 567821307 /nfs/dbraw/zinc/82/13/07/567821307.db2.gz PAJUSWBENXLKEQ-UHFFFAOYSA-N -1 0 281.402 3.672 50 0 CHAARM C/C=C/c1ccccc1OCc1ccc(C(=O)[O-])o1 ZINC000000216948 567822629 /nfs/dbraw/zinc/82/26/29/567822629.db2.gz UYAGNUNAKUVMAC-GORDUTHDSA-N -1 0 258.273 3.590 50 0 CHAARM O=C([O-])c1cc(-c2ccccc2)nn1-c1cccc(Cl)c1 ZINC000000323936 567825405 /nfs/dbraw/zinc/82/54/05/567825405.db2.gz JLGICDHNLUQTGA-UHFFFAOYSA-N -1 0 298.729 3.891 50 0 CHAARM O=C([O-])c1ccccc1NC(=O)Nc1ccc(Cl)cc1 ZINC000000397442 567828870 /nfs/dbraw/zinc/82/88/70/567828870.db2.gz GFSBFEFJWQVKFS-UHFFFAOYSA-N -1 0 290.706 3.682 50 0 CHAARM O=C([O-])C[C@@H](C(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000000395747 567829039 /nfs/dbraw/zinc/82/90/39/567829039.db2.gz OZWWBBUADNEKHF-CQSZACIVSA-N -1 0 288.730 3.781 50 0 CHAARM O=C([O-])/C=C/c1ccc(OCc2cccc(F)c2)cc1 ZINC000000446681 567830740 /nfs/dbraw/zinc/83/07/40/567830740.db2.gz MUDNYRRFIRMCOC-RMKNXTFCSA-N -1 0 272.275 3.503 50 0 CHAARM O=c1oc2ccccc2c2c1C=Nc1ccccc1[N-]2 ZINC000000477389 567832188 /nfs/dbraw/zinc/83/21/88/567832188.db2.gz AUIRWLDQANQNHJ-UHFFFAOYSA-N -1 0 262.268 3.601 50 0 CHAARM CCc1cc(C(=O)[O-])c(NC(=O)c2ccccc2C)s1 ZINC000000528765 567833339 /nfs/dbraw/zinc/83/33/39/567833339.db2.gz NMQDCEOFECGROZ-UHFFFAOYSA-N -1 0 289.356 3.569 50 0 CHAARM CCc1ccc2nc(-c3cccnc3)cc(C(=O)[O-])c2c1 ZINC000001459181 567837643 /nfs/dbraw/zinc/83/76/43/567837643.db2.gz GVUSKSNZAICOJX-UHFFFAOYSA-N -1 0 278.311 3.557 50 0 CHAARM CCCC(C(=O)[O-])(c1ccccc1)c1ccccc1 ZINC000002022234 567844015 /nfs/dbraw/zinc/84/40/15/567844015.db2.gz IVYXLCYENQNVHM-UHFFFAOYSA-N -1 0 254.329 3.857 50 0 CHAARM CC(C)CC[C@@H](CC(=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000002159728 567844731 /nfs/dbraw/zinc/84/47/31/567844731.db2.gz CGFDHQZQOJIQDO-STQMWFEESA-N -1 0 256.386 3.719 50 0 biogenic CHAARM COc1cccc(-c2cc(C(=O)[O-])c3cccc(C)c3n2)c1 ZINC000002506011 567846409 /nfs/dbraw/zinc/84/64/09/567846409.db2.gz FTBPGONXYWLYIQ-UHFFFAOYSA-N -1 0 293.322 3.917 50 0 CHAARM Cc1c(Cl)ccc2c(C(=O)[O-])cc(-c3cccnc3)nc12 ZINC000002521463 567847532 /nfs/dbraw/zinc/84/75/32/567847532.db2.gz GJRLWOOMYJFTMN-UHFFFAOYSA-N -1 0 298.729 3.957 50 0 CHAARM O=C([O-])c1cc(-c2cccc(C(F)(F)F)c2)ccc1O ZINC000002568865 567848476 /nfs/dbraw/zinc/84/84/76/567848476.db2.gz VCDYVHGVQMIZSJ-UHFFFAOYSA-N -1 0 282.217 3.776 50 0 CHAARM CCCCCc1ccc(C(=O)CCCC(=O)[O-])cc1 ZINC000002579959 567848478 /nfs/dbraw/zinc/84/84/78/567848478.db2.gz VYJQDSMGJZYNCN-UHFFFAOYSA-N -1 0 262.349 3.857 50 0 CHAARM O=C([O-])c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O ZINC000003864420 567854335 /nfs/dbraw/zinc/85/43/35/567854335.db2.gz KUCGAGONGXZTOE-UHFFFAOYSA-N -1 0 272.344 3.558 50 0 CHAARM O=C([O-])COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004012923 567854708 /nfs/dbraw/zinc/85/47/08/567854708.db2.gz WIWCHWGNONICJI-UHFFFAOYSA-N -1 0 286.371 3.618 50 0 CHAARM O=C([O-])CCCc1c2cc(F)ccc2[nH]c1-c1ccccn1 ZINC000004137068 567855430 /nfs/dbraw/zinc/85/54/30/567855430.db2.gz ZSJSJCLJZNGONA-UHFFFAOYSA-N -1 0 298.317 3.776 50 0 CHAARM O=C([O-])c1ccc(/C=C/c2ccc3cccc(O)c3n2)cc1 ZINC000004302827 567856521 /nfs/dbraw/zinc/85/65/21/567856521.db2.gz NKGXTAPQUUOJCZ-UXBLZVDNSA-N -1 0 291.306 3.809 50 0 CHAARM O=C([O-])c1csc(Nc2ccc(Cl)c(Cl)c2)n1 ZINC000012336630 567862753 /nfs/dbraw/zinc/86/27/53/567862753.db2.gz AWSZMFQURKXDAR-UHFFFAOYSA-N -1 0 289.143 3.892 50 0 CHAARM Cc1cc(N2CCCCCC2)nc(-c2ccccc2[O-])n1 ZINC000013127838 567865359 /nfs/dbraw/zinc/86/53/59/567865359.db2.gz TVANRJKBTQJSBO-UHFFFAOYSA-N -1 0 283.375 3.538 50 0 CHAARM CC(=O)C(Sc1ccc(C)cc1)=C([O-])c1ccccc1 ZINC000100839371 567888718 /nfs/dbraw/zinc/88/87/18/567888718.db2.gz MXQZAHZNHPTZTJ-KRWDZBQOSA-N -1 0 284.380 3.928 50 0 CHAARM Cc1cc(C)nc([N-]c2nc(-c3ccccc3)cs2)n1 ZINC000003237231 567892600 /nfs/dbraw/zinc/89/26/00/567892600.db2.gz MEYHVGRXGIMJNL-UHFFFAOYSA-N -1 0 282.372 3.961 50 0 CHAARM CC(C)(C(=O)[O-])c1csc(-c2c(F)cccc2Cl)n1 ZINC000057629057 567895131 /nfs/dbraw/zinc/89/51/31/567895131.db2.gz KJTRDLPAEMNKBM-UHFFFAOYSA-N -1 0 299.754 3.965 50 0 CHAARM CCC(CC)(CC(=O)Nc1ccccc1Cl)C(=O)[O-] ZINC000011164955 567895270 /nfs/dbraw/zinc/89/52/70/567895270.db2.gz UONAFQYYVISLNT-UHFFFAOYSA-N -1 0 283.755 3.560 50 0 CHAARM Cc1cccc2c(Cl)c(CCC(=O)[O-])c(C)nc12 ZINC000004677372 567901396 /nfs/dbraw/zinc/90/13/96/567901396.db2.gz PDLOLCUYLHTJIR-UHFFFAOYSA-N -1 0 263.724 3.522 50 0 CHAARM CC(C)(C)[C@H](C(=O)[O-])C(O)(c1ccccc1)c1ccccc1 ZINC000071771690 567901946 /nfs/dbraw/zinc/90/19/46/567901946.db2.gz OJGJLFDXMGIZQU-INIZCTEOSA-N -1 0 298.382 3.669 50 0 CHAARM COc1ccc2c(c1)CCC1=C2CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000001670318 567907793 /nfs/dbraw/zinc/90/77/93/567907793.db2.gz LSKSKLUVAZWZLX-QMTHXVAHSA-N -1 0 272.344 3.526 50 0 CHAARM COc1ccccc1-n1[n-]c(-c2ccc(C)cc2)cc1=O ZINC000101265209 567914813 /nfs/dbraw/zinc/91/48/13/567914813.db2.gz DKLABGQZWCAJLP-UHFFFAOYSA-N -1 0 280.327 3.562 50 0 CHAARM Cc1nc(Oc2ccc(F)cc2)c(C(=O)[O-])c(C)c1Cl ZINC000000269544 567925651 /nfs/dbraw/zinc/92/56/51/567925651.db2.gz VJKGIIUIVVCWRP-UHFFFAOYSA-N -1 0 295.697 3.981 50 0 CHAARM O=C(Cc1ccccc1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000000467435 567936462 /nfs/dbraw/zinc/93/64/62/567936462.db2.gz ZEMSESGUQGQZES-UHFFFAOYSA-N -1 0 296.153 3.880 50 0 CHAARM CC[C@H](C(=O)Nc1cccc(C(=O)[O-])c1C)c1ccccc1 ZINC000001074860 567937030 /nfs/dbraw/zinc/93/70/30/567937030.db2.gz BNRCHWPFXNDZQS-AWEZNQCLSA-N -1 0 297.354 3.826 50 0 CHAARM Cc1ccc(CNc2cccc(C(=O)[O-])c2C)cc1 ZINC000016578668 567944303 /nfs/dbraw/zinc/94/43/03/567944303.db2.gz GOCYMAWZDDZPAU-UHFFFAOYSA-N -1 0 255.317 3.614 50 0 CHAARM CC(C)/C(=C\C(=O)[O-])c1ccc(Br)cc1 ZINC000011628565 570219710 /nfs/dbraw/zinc/21/97/10/570219710.db2.gz UZODWJREQLGISR-YRNVUSSQSA-N -1 0 269.138 3.573 50 0 CHAARM C[C@](Cc1ccccc1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000011732619 570220124 /nfs/dbraw/zinc/22/01/24/570220124.db2.gz PMJKCHLLQFYGJA-MRXNPFEDSA-N -1 0 274.747 3.925 50 0 CHAARM Cc1nc(C2(c3ccc(Cl)cc3)CC2)sc1C(=O)[O-] ZINC000011883776 570220780 /nfs/dbraw/zinc/22/07/80/570220780.db2.gz KLACMPKSQWYQNE-UHFFFAOYSA-N -1 0 293.775 3.883 50 0 CHAARM O=C([O-])C[C@H](c1ccc(F)cc1)C1CCCCC1 ZINC000036139886 570233689 /nfs/dbraw/zinc/23/36/89/570233689.db2.gz FMSZDMSJKLPQBW-AWEZNQCLSA-N -1 0 250.313 3.964 50 0 CHAARM CSCCC(C(=O)[O-])(c1ccccc1)c1ccccc1 ZINC000071772565 570236938 /nfs/dbraw/zinc/23/69/38/570236938.db2.gz FAZXBLLAFAEEHD-UHFFFAOYSA-N -1 0 286.396 3.810 50 0 CHAARM O=C([O-])c1ccccc1-c1ccnc2c(F)cc(F)cc12 ZINC000220505150 570310555 /nfs/dbraw/zinc/31/05/55/570310555.db2.gz RVHDTXCBJUDPDK-UHFFFAOYSA-N -1 0 285.249 3.878 50 0 CHAARM Cc1cccc(NC(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000001001907 570323480 /nfs/dbraw/zinc/32/34/80/570323480.db2.gz YOXZCLPCEMEEDT-UHFFFAOYSA-N -1 0 284.315 3.646 50 0 CHAARM O=C([O-])c1cnc(-c2ccccc2)nc1Oc1ccccc1 ZINC000001386430 570333029 /nfs/dbraw/zinc/33/30/29/570333029.db2.gz BXPBQGOKPVBXOE-UHFFFAOYSA-N -1 0 292.294 3.634 50 0 CHAARM CC(C)C[C@H](CCC(=O)Nc1ccccc1Cl)C(=O)[O-] ZINC000016650444 570334598 /nfs/dbraw/zinc/33/45/98/570334598.db2.gz CVZWUXJULPJJHD-NSHDSACASA-N -1 0 297.782 3.806 50 0 CHAARM O=C([O-])[C@H](Nc1ccccc1F)c1ccc(Cl)cc1 ZINC000004253462 570351418 /nfs/dbraw/zinc/35/14/18/570351418.db2.gz SMBRZKRAJHJDHA-CYBMUJFWSA-N -1 0 279.698 3.717 50 0 CHAARM CCN(CC)C(=S)SC1=C([O-])CC(C)(C)CC1=O ZINC000006666754 570380096 /nfs/dbraw/zinc/38/00/96/570380096.db2.gz AMXPYHCDRZCTHI-UHFFFAOYSA-N -1 0 287.450 3.505 50 0 CHAARM O=C([O-])c1cccc(-c2nc(-c3ccccn3)cs2)c1 ZINC000041722434 957392413 /nfs/dbraw/zinc/39/24/13/957392413.db2.gz GLCKJGDDGBRDNI-UHFFFAOYSA-N -1 0 282.324 3.570 50 0 CHAARM O=C([O-])C/C(=C/c1ccsc1)c1nc2ccccc2o1 ZINC000012793137 1127927137 /nfs/dbraw/zinc/92/71/37/1127927137.db2.gz GFLRBYHWVPJRRX-XFFZJAGNSA-N -1 0 285.324 3.905 50 0 CHAARM Cc1ccc(Nc2c(F)c(F)c(F)c(F)c2C(=O)[O-])cc1 ZINC000003651439 1121029314 /nfs/dbraw/zinc/02/93/14/1121029314.db2.gz SRDVDSFYLHPQTB-UHFFFAOYSA-N -1 0 299.223 3.993 50 0 CHAARM O=C(CCc1ccccc1Cl)NOCc1ccccc1 ZINC000025039031 1121471315 /nfs/dbraw/zinc/47/13/15/1121471315.db2.gz QOIVBEPTDKYKCT-UHFFFAOYSA-N -1 0 289.762 3.521 50 0 CHAARM O=C([O-])c1cc(NN=Cc2ccccc2F)ccc1Cl ZINC000254763326 1129709129 /nfs/dbraw/zinc/70/91/29/1129709129.db2.gz LZXUAOHWDLXIAR-UHFFFAOYSA-N -1 0 292.697 3.623 50 0 CHAARM CC(C)(C)c1ccc([O-])c(C(=O)c2cccs2)c1 ZINC000083139168 178340341 /nfs/dbraw/zinc/34/03/41/178340341.db2.gz WEFYXYOBGLXBTK-UHFFFAOYSA-N -1 0 260.358 3.982 50 0 CHAARM Cc1[n-]n2c(nc3c(c2=O)CCC3)c1-c1ccc(Cl)cc1 ZINC000100642315 185721344 /nfs/dbraw/zinc/72/13/44/185721344.db2.gz JTWYFIYEKTUFCX-UHFFFAOYSA-N -1 0 299.761 3.552 50 0 CHAARM O=C([O-])CCCCC(=O)c1cccc(Cl)c1Cl ZINC000002579921 169813111 /nfs/dbraw/zinc/81/31/11/169813111.db2.gz ILKFDIHGMHVWPR-UHFFFAOYSA-N -1 0 275.131 3.821 50 0 CHAARM Cc1c2ccccc2n(Cc2ccccc2)c1C(=O)[O-] ZINC000107840819 186195650 /nfs/dbraw/zinc/19/56/50/186195650.db2.gz XTRDAEAORUVFOD-UHFFFAOYSA-N -1 0 265.312 3.696 50 0 CHAARM CCSC(C(=O)[O-])(c1ccccc1)c1ccccc1 ZINC000000155256 169556991 /nfs/dbraw/zinc/55/69/91/169556991.db2.gz NGHYFCDORXGZOD-UHFFFAOYSA-N -1 0 272.369 3.768 50 0 CHAARM O=C([O-])[C@@H](CC(=O)c1ccccc1)c1c[nH]c2ccccc21 ZINC000000350706 169614620 /nfs/dbraw/zinc/61/46/20/169614620.db2.gz SJVMWLJNHPHNPT-AWEZNQCLSA-N -1 0 293.322 3.609 50 0 CHAARM COc1cccc2c1c(O)cc(C(=O)[O-])c2-c1ccccc1 ZINC000000392838 169628195 /nfs/dbraw/zinc/62/81/95/169628195.db2.gz GTALHGSRIPHFRL-UHFFFAOYSA-N -1 0 294.306 3.919 50 0 CHAARM Cc1cc(C)c(C)c(OCc2ccc(C(=O)[O-])cc2)c1 ZINC000002536629 169805119 /nfs/dbraw/zinc/80/51/19/169805119.db2.gz PCJQUWYBWXONLB-UHFFFAOYSA-N -1 0 270.328 3.889 50 0 CHAARM C[C@H](SCc1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000003235992 169870224 /nfs/dbraw/zinc/87/02/24/169870224.db2.gz WFNIYYBGSXOWTN-VIFPVBQESA-N -1 0 279.386 3.516 50 0 CHAARM CCn1c2ccccc2c2cc(/C=C/C(=O)[O-])ccc21 ZINC000003888840 169920674 /nfs/dbraw/zinc/92/06/74/169920674.db2.gz FMELYMHOSLTJEH-CSKARUKUSA-N -1 0 265.312 3.912 50 0 CHAARM O=C([O-])c1cccc(Nc2nc(-c3ccncc3)cs2)c1 ZINC000004116947 169934694 /nfs/dbraw/zinc/93/46/94/169934694.db2.gz PCJVLRRVUNIMDV-UHFFFAOYSA-N -1 0 297.339 3.647 50 0 CHAARM O=C([O-])/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000004803939 170019800 /nfs/dbraw/zinc/01/98/00/170019800.db2.gz XRUILMSWZHTDSO-JLHYYAGUSA-N -1 0 258.704 3.965 50 0 CHAARM CCn1c(C)c(C(=O)[O-])c2cc(OC)c3ccccc3c21 ZINC000004817102 170022444 /nfs/dbraw/zinc/02/24/44/170022444.db2.gz LSZIRBAWCJUNIP-UHFFFAOYSA-N -1 0 283.327 3.830 50 0 CHAARM O=C([O-])c1ccccc1NC(=O)CCC1CCCCC1 ZINC000004907476 170040118 /nfs/dbraw/zinc/04/01/18/170040118.db2.gz RHLNCMBSPPKPDG-UHFFFAOYSA-N -1 0 275.348 3.684 50 0 CHAARM Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccccc1Cl ZINC000005050673 170061181 /nfs/dbraw/zinc/06/11/81/170061181.db2.gz JHWDTLDIYYNCEP-UHFFFAOYSA-N -1 0 289.718 3.599 50 0 CHAARM O=C([O-])c1cc(-c2ccccc2Cl)n(-c2ccccc2)n1 ZINC000005685249 170128372 /nfs/dbraw/zinc/12/83/72/170128372.db2.gz DUUFTTXEHSSHSJ-UHFFFAOYSA-N -1 0 298.729 3.891 50 0 CHAARM CCc1ccc(Oc2coc3cc([O-])ccc3c2=O)cc1 ZINC000005686790 170128906 /nfs/dbraw/zinc/12/89/06/170128906.db2.gz XHFVKURISNJMFS-UHFFFAOYSA-N -1 0 282.295 3.853 50 0 biogenic CHAARM O=c1c2ccccc2[n-]c(=S)n1CCCc1ccccc1 ZINC000005827646 170144459 /nfs/dbraw/zinc/14/44/59/170144459.db2.gz MTNNGTPTMPNVOK-UHFFFAOYSA-N -1 0 296.395 3.692 50 0 CHAARM Nc1ccc(-c2cc(C(=O)[O-])c3cc(Cl)ccc3n2)cc1 ZINC000006392252 170197690 /nfs/dbraw/zinc/19/76/90/170197690.db2.gz VLQXLFDKZMMXRZ-UHFFFAOYSA-N -1 0 298.729 3.836 50 0 CHAARM Cc1sc2[n-]c(=S)n(C3CCCC3)c(=O)c2c1C ZINC000006512047 170208451 /nfs/dbraw/zinc/20/84/51/170208451.db2.gz QOOVGMDLTORJNS-UHFFFAOYSA-N -1 0 280.418 3.853 50 0 CHAARM CCOc1cc(C(=O)[O-])ccc1OCc1ccccc1F ZINC000007604006 170293185 /nfs/dbraw/zinc/29/31/85/170293185.db2.gz PIJGLCWNTUMLSO-UHFFFAOYSA-N -1 0 290.290 3.502 50 0 CHAARM CCc1cccc(C)c1NC(=O)CC(CC)(CC)C(=O)[O-] ZINC000010169529 170399294 /nfs/dbraw/zinc/39/92/94/170399294.db2.gz ZNWZKVFFGXLWBF-UHFFFAOYSA-N -1 0 291.391 3.777 50 0 CHAARM O=C([O-])c1cccc(Oc2cc(-c3ccccc3)ncn2)c1 ZINC000011849452 170446983 /nfs/dbraw/zinc/44/69/83/170446983.db2.gz NEDGCGSOSGYIAM-UHFFFAOYSA-N -1 0 292.294 3.634 50 0 CHAARM Cc1ccc(NC(=O)CC2(C(=O)[O-])CCCC2)c(Cl)c1 ZINC000012685956 170504113 /nfs/dbraw/zinc/50/41/13/170504113.db2.gz OYSHVJLUTZMALT-UHFFFAOYSA-N -1 0 295.766 3.622 50 0 CHAARM Cc1ccc(CNc2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000016577127 170702078 /nfs/dbraw/zinc/70/20/78/170702078.db2.gz IJNUVHCYHYVAPV-UHFFFAOYSA-N -1 0 275.735 3.959 50 0 CHAARM Cc1cc(C)c2nc(-c3ccc(N)cc3)cc(C(=O)[O-])c2c1 ZINC000020344936 171154201 /nfs/dbraw/zinc/15/42/01/171154201.db2.gz WUPJJQNVOFIMRD-UHFFFAOYSA-N -1 0 292.338 3.799 50 0 CHAARM O=C(Nc1ccc2c(c1)CCC2)c1cc(Cl)ccc1[O-] ZINC000021049878 171294922 /nfs/dbraw/zinc/29/49/22/171294922.db2.gz RYTRWMJNBQNVLD-UHFFFAOYSA-N -1 0 287.746 3.787 50 0 CHAARM Cc1oc(-c2ccc(Cl)cc2)nc1CSCC(=O)[O-] ZINC000021118090 171298068 /nfs/dbraw/zinc/29/80/68/171298068.db2.gz VGEBSKNAJGISMC-UHFFFAOYSA-N -1 0 297.763 3.621 50 0 CHAARM O=C([O-])c1cc(C2CC2)nc2c1cnn2C1CCCCC1 ZINC000022169547 171367355 /nfs/dbraw/zinc/36/73/55/171367355.db2.gz CTSATCKBTPWPCA-UHFFFAOYSA-N -1 0 285.347 3.512 50 0 CHAARM O=C([O-])CCCCCC(=O)c1c(F)cccc1Cl ZINC000043214179 174984498 /nfs/dbraw/zinc/98/44/98/174984498.db2.gz JOBXTKDTAXOXPX-UHFFFAOYSA-N -1 0 272.703 3.697 50 0 CHAARM Fc1cccc([N-]c2nc(-c3ccccc3)no2)c1 ZINC000071928159 176302273 /nfs/dbraw/zinc/30/22/73/176302273.db2.gz LWUNIZOIXLFJOY-UHFFFAOYSA-N -1 0 255.252 3.619 50 0 CHAARM O=C([O-])c1cc2ccccc2c(-c2cccc(F)c2)n1 ZINC000077256147 177244787 /nfs/dbraw/zinc/24/47/87/177244787.db2.gz SGFZBYXRNYXSEN-UHFFFAOYSA-N -1 0 267.259 3.739 50 0 CHAARM O=C([O-])[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000079897973 177578329 /nfs/dbraw/zinc/57/83/29/177578329.db2.gz SUHSOPNQXDUJFM-KOLCDFICSA-N -1 0 275.131 3.546 50 0 CHAARM Cc1ccc([C@@H](CC(=O)[O-])[C@H]2CCOC(C)(C)C2)cc1 ZINC000001856568 560185144 /nfs/dbraw/zinc/18/51/44/560185144.db2.gz SJEKEWDPPWCSOR-LSDHHAIUSA-N -1 0 276.376 3.759 50 0 biogenic,in-vitro CHAARM O=C([O-])c1c(F)cccc1-c1cnc2ccccc2c1 ZINC000161121939 566863657 /nfs/dbraw/zinc/86/36/57/566863657.db2.gz COTRDCZDVRXTFS-UHFFFAOYSA-N -1 0 267.259 3.739 50 0 CHAARM O=C([O-])c1ccc(C(F)(F)F)nc1-c1cccc(F)c1 ZINC000047205266 566890331 /nfs/dbraw/zinc/89/03/31/566890331.db2.gz JXZWWHHWHJYTDM-UHFFFAOYSA-N -1 0 285.196 3.605 50 0 CHAARM COc1cccc(Sc2ccccc2C(=O)[O-])c1OC ZINC000075270332 566940131 /nfs/dbraw/zinc/94/01/31/566940131.db2.gz RKWNFVZXUUFIMD-UHFFFAOYSA-N -1 0 290.340 3.553 50 0 CHAARM CC(C)Cc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000013166119 567062660 /nfs/dbraw/zinc/06/26/60/567062660.db2.gz IHXLHTSPZHKWRV-UHFFFAOYSA-N -1 0 297.354 3.836 50 0 CHAARM Cc1c(Nc2ncccc2C(=O)[O-])cccc1C(F)(F)F ZINC000000001467 567816559 /nfs/dbraw/zinc/81/65/59/567816559.db2.gz NOOCSNJCXJYGPE-UHFFFAOYSA-N -1 0 296.248 3.851 50 0 in-man CHAARM Cn1c2ccccc2c(Sc2ccccc2)c1CC(=O)[O-] ZINC000000060429 567817453 /nfs/dbraw/zinc/81/74/53/567817453.db2.gz BOALVBYVTVEEQS-UHFFFAOYSA-N -1 0 297.379 3.957 50 0 CHAARM O=C([O-])c1ccc(Nc2nc(-c3cccnc3)cs2)cc1 ZINC000000088551 567817977 /nfs/dbraw/zinc/81/79/77/567817977.db2.gz VOAGRCWYJDZBFU-UHFFFAOYSA-N -1 0 297.339 3.647 50 0 CHAARM COc1ccc(-c2cc(C(=O)[O-])c(C(F)(F)F)o2)cc1 ZINC000000113455 567818741 /nfs/dbraw/zinc/81/87/41/567818741.db2.gz PYCIUAMIBJWOSM-UHFFFAOYSA-N -1 0 286.205 3.672 50 0 CHAARM CC(C)(C)c1ccc(OCc2ccc(C(=O)[O-])o2)cc1 ZINC000000133402 567819782 /nfs/dbraw/zinc/81/97/82/567819782.db2.gz IBCVBAKAPXHALY-UHFFFAOYSA-N -1 0 274.316 3.854 50 0 CHAARM COc1ccc(-c2cc(C(=O)[O-])c3ccc(C)cc3n2)cc1 ZINC000000160845 567820630 /nfs/dbraw/zinc/82/06/30/567820630.db2.gz QGYSRDDVLFRRHR-UHFFFAOYSA-N -1 0 293.322 3.917 50 0 CHAARM Cc1cccc(Oc2ccc(NC(=O)CCC(=O)[O-])cc2)c1 ZINC000000277198 567823565 /nfs/dbraw/zinc/82/35/65/567823565.db2.gz RUBSSSBMEZHRPQ-UHFFFAOYSA-N -1 0 299.326 3.591 50 0 CHAARM Cc1cc2c(C(=O)[O-])cc1CCc1ccc(cc1)CC2 ZINC000000391260 567828549 /nfs/dbraw/zinc/82/85/49/567828549.db2.gz UQPHXXZNPIWDGM-UHFFFAOYSA-N -1 0 266.340 3.577 50 0 CHAARM CC(C)Sc1nc2ccc(NCCC(=O)[O-])cc2s1 ZINC000000404864 567829203 /nfs/dbraw/zinc/82/92/03/567829203.db2.gz DKOIWXMXLDPZJQ-UHFFFAOYSA-N -1 0 296.417 3.683 50 0 CHAARM Cc1nc(Nc2ccc(Cl)cc2)sc1C(=O)[O-] ZINC000000873564 567835049 /nfs/dbraw/zinc/83/50/49/567835049.db2.gz LXOWNWOCCIIDNC-UHFFFAOYSA-N -1 0 268.725 3.547 50 0 CHAARM COc1ccc(C(=O)[O-])cc1COc1ccc(Cl)cc1 ZINC000001009199 567835441 /nfs/dbraw/zinc/83/54/41/567835441.db2.gz GDXSXRIRYUEDOH-UHFFFAOYSA-N -1 0 292.718 3.626 50 0 CHAARM O=C([O-])/C(Cl)=C(/Cl)C(Cl)=C(Cl)Cl ZINC000001674850 567841107 /nfs/dbraw/zinc/84/11/07/567841107.db2.gz RQMWDQMALYNILJ-IWQZZHSRSA-N -1 0 270.326 3.646 50 0 CHAARM S=c1[n-]nc(Nc2ccccc2)n1-c1ccccc1 ZINC000002472777 567845821 /nfs/dbraw/zinc/84/58/21/567845821.db2.gz ADVANMXLTWBUFC-UHFFFAOYSA-N -1 0 268.345 3.673 50 0 CHAARM O=C([O-])c1cc(-c2ccc(Br)cc2)cs1 ZINC000002513567 567846210 /nfs/dbraw/zinc/84/62/10/567846210.db2.gz PZHUPHYFDBYWCQ-UHFFFAOYSA-N -1 0 283.146 3.876 50 0 CHAARM O=C([O-])Cc1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000002556412 567848075 /nfs/dbraw/zinc/84/80/75/567848075.db2.gz IGIZNOWEWCGVKX-UHFFFAOYSA-N -1 0 273.037 3.639 50 0 CHAARM CCc1ccc(C(=O)CCCCCCC(=O)[O-])cc1 ZINC000002579941 567848519 /nfs/dbraw/zinc/84/85/19/567848519.db2.gz NMOPEAQEGUGBOL-UHFFFAOYSA-N -1 0 262.349 3.857 50 0 CHAARM Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)[O-])c1 ZINC000003394163 567852661 /nfs/dbraw/zinc/85/26/61/567852661.db2.gz UNHBQSXNGUQFQF-UHFFFAOYSA-N -1 0 278.311 3.546 50 0 CHAARM C[C@H](C(=O)[O-])[C@@H](C(=O)c1ccccc1)c1ccc(F)cc1 ZINC000004110396 567855451 /nfs/dbraw/zinc/85/54/51/567855451.db2.gz LESZDLMKMPPZLG-XHDPSFHLSA-N -1 0 286.302 3.513 50 0 CHAARM C[C@@H]1CCc2c(sc3[n-]c(=S)[nH]c(=S)c23)C1 ZINC000004204856 567855877 /nfs/dbraw/zinc/85/58/77/567855877.db2.gz IJLMMUJHXJBGAF-RXMQYKEDSA-N -1 0 268.432 3.767 50 0 CHAARM O=C([O-])c1cccc(COc2cccc(Cl)c2)c1 ZINC000004294630 567856534 /nfs/dbraw/zinc/85/65/34/567856534.db2.gz ONTJAMCYIQODDU-UHFFFAOYSA-N -1 0 262.692 3.617 50 0 CHAARM O=C([O-])c1ccc(NCc2ccc(Cl)cc2)cc1 ZINC000004636459 567858446 /nfs/dbraw/zinc/85/84/46/567858446.db2.gz QIANQKPXNXBLNW-UHFFFAOYSA-N -1 0 261.708 3.650 50 0 CHAARM Cc1cc(OCc2ccc(C(=O)[O-])s2)ccc1Cl ZINC000012357608 567862804 /nfs/dbraw/zinc/86/28/04/567862804.db2.gz WYSDZWJUDBKFLF-UHFFFAOYSA-N -1 0 282.748 3.987 50 0 CHAARM Cc1[nH]c2ccccc2c1C=C1SC(=S)NC1=O ZINC000012681213 567863812 /nfs/dbraw/zinc/86/38/12/567863812.db2.gz UVIPMLZWLKVILY-WDZFZDKYSA-N -1 0 274.370 3.805 50 0 CHAARM Cc1ccccc1CNc1ccc(C(=O)[O-])c(Cl)c1 ZINC000016578984 567873321 /nfs/dbraw/zinc/87/33/21/567873321.db2.gz YHFXRSOCNRZQDT-UHFFFAOYSA-N -1 0 275.735 3.959 50 0 CHAARM Cc1ccc2cc3cc(C(=O)[O-])sc3nc2c1C ZINC000019234321 567877460 /nfs/dbraw/zinc/87/74/60/567877460.db2.gz AVTYCVDJBULGNK-UHFFFAOYSA-N -1 0 257.314 3.765 50 0 CHAARM O=C([O-])[C@@H](Oc1ccc(F)cc1Cl)c1ccccc1 ZINC000019669938 567878558 /nfs/dbraw/zinc/87/85/58/567878558.db2.gz NFLNHAANTYEWTK-ZDUSSCGKSA-N -1 0 280.682 3.684 50 0 CHAARM CC(C)c1ccc(Oc2cc(C(=O)[O-])ccn2)cc1 ZINC000019812920 567882583 /nfs/dbraw/zinc/88/25/83/567882583.db2.gz LNMHCPFSEQOLIC-UHFFFAOYSA-N -1 0 257.289 3.696 50 0 CHAARM CC(=O)c1c(C)cc2oc(=O)cc(-c3ccccc3)c2c1[O-] ZINC000030822732 567884850 /nfs/dbraw/zinc/88/48/50/567884850.db2.gz JFIUEDSTMHEBEL-UHFFFAOYSA-N -1 0 294.306 3.677 50 0 biogenic CHAARM O=C([O-])c1ccc2nc(-c3ccccc3F)sc2c1 ZINC000031894243 567885095 /nfs/dbraw/zinc/88/50/95/567885095.db2.gz MNJKVMGNDUIAQH-UHFFFAOYSA-N -1 0 273.288 3.801 50 0 CHAARM O=C([O-])c1c(F)c(F)c(F)c(F)c1Cc1ccccc1 ZINC000000186880 567887388 /nfs/dbraw/zinc/88/73/88/567887388.db2.gz IQLYWNFLXJQSOX-UHFFFAOYSA-N -1 0 284.208 3.532 50 0 CHAARM O=C([O-])[C@H](Nc1ccccc1Cl)c1ccccc1F ZINC000037955070 567890202 /nfs/dbraw/zinc/89/02/02/567890202.db2.gz MZPVUMFEEMAPRR-CYBMUJFWSA-N -1 0 279.698 3.717 50 0 CHAARM Cc1c(C)c(C)c(C(=O)CC(C)(C)C(=O)[O-])c(C)c1C ZINC000043214269 567892236 /nfs/dbraw/zinc/89/22/36/567892236.db2.gz SRJANRRIVVMFBD-UHFFFAOYSA-N -1 0 276.376 3.912 50 0 CHAARM Cc1cc(C)c(C)c(C(=O)CC(C)(C)C(=O)[O-])c1C ZINC000043214266 567892528 /nfs/dbraw/zinc/89/25/28/567892528.db2.gz XYFZJXCESMMHLU-UHFFFAOYSA-N -1 0 262.349 3.604 50 0 CHAARM O=C([O-])c1cc(F)cc(-c2cccc(Cl)c2)c1 ZINC000065350324 567898479 /nfs/dbraw/zinc/89/84/79/567898479.db2.gz IKIJGIQUYRAPGG-UHFFFAOYSA-N -1 0 250.656 3.844 50 0 CHAARM COc1cc(C(=O)[O-])cc(-c2cc(F)cc(Cl)c2)c1 ZINC000065351297 567898767 /nfs/dbraw/zinc/89/87/67/567898767.db2.gz IFJAJJNWVWMRAO-UHFFFAOYSA-N -1 0 280.682 3.853 50 0 CHAARM O=C([O-])/C(=C\c1ccccc1)c1cccc(Cl)c1 ZINC000071772910 567902230 /nfs/dbraw/zinc/90/22/30/567902230.db2.gz OUZCEZXNOWTFPK-ZROIWOOFSA-N -1 0 258.704 3.965 50 0 CHAARM Cc1ccc(-c2cccc(CC(=O)[O-])c2)cc1Cl ZINC000074937846 567903568 /nfs/dbraw/zinc/90/35/68/567903568.db2.gz KDKWTLORQWKWSX-UHFFFAOYSA-N -1 0 260.720 3.943 50 0 CHAARM CC(=O)Oc1ccc2oc(-c3ccccc3)c(C(=O)[O-])c2c1 ZINC000000043006 567905323 /nfs/dbraw/zinc/90/53/23/567905323.db2.gz VTWJEAZBNAWTBF-UHFFFAOYSA-N -1 0 296.278 3.723 50 0 biogenic CHAARM O=C([O-])c1cc(-c2ccc(Cl)c(Cl)c2)ns1 ZINC000082164640 567906920 /nfs/dbraw/zinc/90/69/20/567906920.db2.gz QTLIDVLLXZMPJE-UHFFFAOYSA-N -1 0 274.128 3.815 50 0 CHAARM Cc1ccc(-n2[n-]c(-c3ccccc3C)cc2=O)cc1 ZINC000100070175 567911185 /nfs/dbraw/zinc/91/11/85/567911185.db2.gz NHEGDBCEDFSEGR-UHFFFAOYSA-N -1 0 264.328 3.862 50 0 CHAARM O=C(C=C([O-])c1ccc(Cl)cc1Cl)C(F)(F)F ZINC000100503230 567913444 /nfs/dbraw/zinc/91/34/44/567913444.db2.gz MFGWGSLMYPLKRX-UHFFFAOYSA-N -1 0 285.048 3.698 50 0 CHAARM CC(C)(C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)[O-] ZINC000072233676 567922753 /nfs/dbraw/zinc/92/27/53/567922753.db2.gz FXZCTBCVFGPHRI-NWDGAFQWSA-N -1 0 299.411 3.523 50 0 CHAARM CC(C)(C)c1ccc(C(=O)c2ccc(O)cc2[O-])cc1 ZINC000000165453 567924138 /nfs/dbraw/zinc/92/41/38/567924138.db2.gz VVEFXKUGUXUOSZ-UHFFFAOYSA-N -1 0 270.328 3.626 50 0 CHAARM CC(C)(C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)[O-] ZINC000221032034 567925674 /nfs/dbraw/zinc/92/56/74/567925674.db2.gz FXZCTBCVFGPHRI-RYUDHWBXSA-N -1 0 299.411 3.523 50 0 CHAARM Cn1c(C(=O)[O-])ccc1-c1ccc(Cl)cc1Cl ZINC000011730420 567928314 /nfs/dbraw/zinc/92/83/14/567928314.db2.gz NLHOLRGWJAVNFK-UHFFFAOYSA-N -1 0 270.115 3.697 50 0 CHAARM O=C([O-])CCc1c2ccccc2[nH]c1-c1ccccc1 ZINC000001585502 567931598 /nfs/dbraw/zinc/93/15/98/567931598.db2.gz HLMMIHTXAONNJG-UHFFFAOYSA-N -1 0 265.312 3.852 50 0 CHAARM CC(C)c1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000000200490 567935438 /nfs/dbraw/zinc/93/54/38/567935438.db2.gz WASRRXYMRFYFOG-LSDHHAIUSA-N -1 0 289.375 3.640 50 0 CHAARM C[C@@H](C(=O)[O-])c1ccc(OCc2ccccc2)c(F)c1 ZINC000000395762 567935829 /nfs/dbraw/zinc/93/58/29/567935829.db2.gz UEXOQSABTFUOOR-LLVKDONJSA-N -1 0 274.291 3.593 50 0 CHAARM Cc1ccc(C)c(COc2cc(C(=O)[O-])ccc2C)c1 ZINC000013248769 567941319 /nfs/dbraw/zinc/94/13/19/567941319.db2.gz VAKIXNCSICRWEC-UHFFFAOYSA-N -1 0 270.328 3.889 50 0 CHAARM Cc1ccc(N[C@H](c2cccc(C)c2)[P@@](=O)([O-])O)cc1 ZINC000024769600 567947382 /nfs/dbraw/zinc/94/73/82/567947382.db2.gz VWSLPJQOQNPAPB-HNNXBMFYSA-N -1 0 291.287 3.592 50 0 CHAARM O=C([O-])[C@@H](c1cccs1)c1ccc(C(F)(F)F)cc1 ZINC000014808155 570225006 /nfs/dbraw/zinc/22/50/06/570225006.db2.gz PGLWXILEHVBBGX-LLVKDONJSA-N -1 0 286.274 3.983 50 0 CHAARM COc1ccc([C@H](CC(=O)[O-])c2ccccc2)cc1Cl ZINC000036177800 570233806 /nfs/dbraw/zinc/23/38/06/570233806.db2.gz ZTHNROQWCPZUIT-CYBMUJFWSA-N -1 0 290.746 3.955 50 0 CHAARM Cc1cc2sc(=S)[n-]c2c(Br)c1 ZINC000065337085 570243648 /nfs/dbraw/zinc/24/36/48/570243648.db2.gz NTFRCPCWLQNGLF-UHFFFAOYSA-N -1 0 260.181 3.656 50 0 CHAARM Cc1[n-]n(-c2ccccc2)c(=O)c1CC=C(Cl)Cl ZINC000000494781 570283067 /nfs/dbraw/zinc/28/30/67/570283067.db2.gz JNLNZHBQHVDQJD-NSHDSACASA-N -1 0 283.158 3.734 50 0 CHAARM O=C([O-])c1ccc(N=Cc2ccc(Cl)cc2)cc1 ZINC000003122947 570320000 /nfs/dbraw/zinc/32/00/00/570320000.db2.gz XTGYZPWVGUMIHQ-UHFFFAOYSA-N -1 0 259.692 3.789 50 0 CHAARM CCCCCC[C@@H](C)[P@](=O)([O-])c1ccccc1 ZINC000003132794 570320272 /nfs/dbraw/zinc/32/02/72/570320272.db2.gz QNZNGRLBRJBBSQ-CYBMUJFWSA-N -1 0 254.310 3.941 50 0 CHAARM CC(C)(CC(=O)[O-])CC(=O)Nc1cccc2ccccc21 ZINC000012853686 570341328 /nfs/dbraw/zinc/34/13/28/570341328.db2.gz IOCXFZRRTOMUTE-UHFFFAOYSA-N -1 0 285.343 3.669 50 0 CHAARM O=C([O-])CCc1c(-c2ccccc2)cc2ccccn21 ZINC000000617243 570378608 /nfs/dbraw/zinc/37/86/08/570378608.db2.gz DBKYPINCUSWWAT-UHFFFAOYSA-N -1 0 265.312 3.624 50 0 CHAARM Cc1onc(-c2cc(Cl)ccc2Cl)c1C(=O)[O-] ZINC000204472261 570410593 /nfs/dbraw/zinc/41/05/93/570410593.db2.gz OYXASESHDYTQHJ-UHFFFAOYSA-N -1 0 272.087 3.655 50 0 CHAARM CC(C)(C)c1cnc(/C=C\c2ncc(C(=O)[O-])s2)s1 ZINC000448128395 974125613 /nfs/dbraw/zinc/12/56/13/974125613.db2.gz HVHVLVXASTVLFM-PLNGDYQASA-N -1 0 294.401 3.766 50 0 CHAARM CC(C)=CCCC(C)C=CN=Nc1nc(C)cc(=O)[n-]1 ZINC000253534364 1126757031 /nfs/dbraw/zinc/75/70/31/1126757031.db2.gz NPUWDCYNVXIUFK-GTSKENENSA-N -1 0 274.368 3.581 50 0 CHAARM Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2C)c(C)s1 ZINC000024070161 1119151151 /nfs/dbraw/zinc/15/11/51/1119151151.db2.gz SZPTVFBJLXKEOD-UHFFFAOYSA-N -1 0 299.392 3.613 50 0 CHAARM Cc1cccc(Nc2c(F)c(F)c(F)c(F)c2C(=O)[O-])c1 ZINC000003651443 1121030608 /nfs/dbraw/zinc/03/06/08/1121030608.db2.gz QXEZJQOINAJWTM-UHFFFAOYSA-N -1 0 299.223 3.993 50 0 CHAARM Cc1c(-c2ccccc2)oc(C(F)F)c1C(=O)[O-] ZINC000958528238 1129531025 /nfs/dbraw/zinc/53/10/25/1129531025.db2.gz LIHSVIRGWGLHGC-UHFFFAOYSA-N -1 0 252.216 3.891 50 0 CHAARM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)Nc1ccccn1 ZINC000095943946 185037412 /nfs/dbraw/zinc/03/74/12/185037412.db2.gz MLUCOIWFMLWAGD-UHFFFAOYSA-N -1 0 298.129 3.738 50 0 CHAARM CC(C)(C)OC(=O)C=C([O-])c1ccc(Cl)cc1Cl ZINC000096663787 185109329 /nfs/dbraw/zinc/10/93/29/185109329.db2.gz YWGDUZXOTDIQNG-UHFFFAOYSA-N -1 0 289.158 3.908 50 0 CHAARM O=c1oc2ccccc2c([O-])c1[C@H]1CCCc2ccccc21 ZINC000100025462 185701204 /nfs/dbraw/zinc/70/12/04/185701204.db2.gz ULSLJYXHZDTLQK-AWEZNQCLSA-N -1 0 292.334 3.967 50 0 in-vitro CHAARM CCCOc1ccc(C(=O)CCCCCC(=O)[O-])cc1 ZINC000002579979 169812932 /nfs/dbraw/zinc/81/29/32/169812932.db2.gz YBSQQRIJBUICJE-UHFFFAOYSA-N -1 0 278.348 3.693 50 0 CHAARM O=C([O-])c1ccc(COc2ccc3ccccc3c2)o1 ZINC000000133427 169548741 /nfs/dbraw/zinc/54/87/41/169548741.db2.gz TZZKTURKDLWLQM-UHFFFAOYSA-N -1 0 268.268 3.710 50 0 CHAARM CCCCCC(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC000002026460 169769306 /nfs/dbraw/zinc/76/93/06/169769306.db2.gz HRDDJVACOSYBQP-UHFFFAOYSA-N -1 0 273.332 3.558 50 0 CHAARM Cc1cccc(C)c1NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000004771261 170014863 /nfs/dbraw/zinc/01/48/63/170014863.db2.gz YIPKLSPBPYUYOS-UHFFFAOYSA-N -1 0 284.315 3.646 50 0 CHAARM Cc1cccc(C)c1NC(=O)Nc1ccccc1C(=O)[O-] ZINC000004776753 170015437 /nfs/dbraw/zinc/01/54/37/170015437.db2.gz QJKTZELBFAWNJD-UHFFFAOYSA-N -1 0 284.315 3.646 50 0 CHAARM O=[P@@]([O-])(Oc1ccccc1)Oc1ccccc1Cl ZINC000004831763 170025743 /nfs/dbraw/zinc/02/57/43/170025743.db2.gz WJAOWAPRWOMVAS-UHFFFAOYSA-N -1 0 284.635 3.898 50 0 CHAARM CC[C@@]1(C)C[C@@](CC(=O)[O-])(c2ccc(C)cc2)CCO1 ZINC000004951075 170044736 /nfs/dbraw/zinc/04/47/36/170044736.db2.gz JIZLCLRKAOQRQP-DLBZAZTESA-N -1 0 276.376 3.687 50 0 CHAARM CC1(C)CO[P@](=O)([O-])O[C@H]1c1ccccc1Cl ZINC000004977445 170048215 /nfs/dbraw/zinc/04/82/15/170048215.db2.gz ZPSPULCZMWMHCY-JTQLQIEISA-N -1 0 276.656 3.555 50 0 CHAARM COc1ccc(C)cc1[C@H](CC(=O)[O-])c1ccccc1 ZINC000005542838 170111345 /nfs/dbraw/zinc/11/13/45/170111345.db2.gz KSLPLDLDQANKOD-CQSZACIVSA-N -1 0 270.328 3.610 50 0 in-vitro CHAARM S=C(Nc1ccccc1)Nc1ccccc1[S-] ZINC000005593368 170117481 /nfs/dbraw/zinc/11/74/81/170117481.db2.gz VBSNXUWQQVRWSR-UHFFFAOYSA-N -1 0 260.387 3.784 50 0 CHAARM C[C@@H](Oc1ccc(C(C)(C)c2ccccc2)cc1)C(=O)[O-] ZINC000005608174 170119333 /nfs/dbraw/zinc/11/93/33/170119333.db2.gz KXNUIPJWPYXKIL-CYBMUJFWSA-N -1 0 284.355 3.864 50 0 CHAARM CCC(C)(C)[C@H]1CCc2c(C(=O)[O-])csc2C1 ZINC000005916881 170155430 /nfs/dbraw/zinc/15/54/30/170155430.db2.gz WWUGTZPJDPJNHC-VIFPVBQESA-N -1 0 252.379 3.987 50 0 CHAARM O=c1c2c3c(sc2[n-]c(=S)n1C1CCCC1)CCC3 ZINC000006279539 170188255 /nfs/dbraw/zinc/18/82/55/170188255.db2.gz ODFQUDWKTRJFQT-UHFFFAOYSA-N -1 0 292.429 3.724 50 0 CHAARM Cc1ccc(C)c(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000008705960 170348160 /nfs/dbraw/zinc/34/81/60/170348160.db2.gz QJIYQNJMKHRLCF-OAHLLOKOSA-N -1 0 297.354 3.500 50 0 CHAARM O=C([O-])c1cc2ccccc2n1Cc1ccccc1F ZINC000009239704 170368414 /nfs/dbraw/zinc/36/84/14/170368414.db2.gz XYDOYFJXQVZCRB-UHFFFAOYSA-N -1 0 269.275 3.527 50 0 CHAARM C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000011893760 170455895 /nfs/dbraw/zinc/45/58/95/170455895.db2.gz CHESPMUHLLVPAV-RXMQYKEDSA-N -1 0 251.134 3.559 50 0 CHAARM O=C([O-])c1cccc(OCc2cccc(C(F)(F)F)c2)c1 ZINC000013080039 170530646 /nfs/dbraw/zinc/53/06/46/170530646.db2.gz XUPCVKCPGXGXEO-UHFFFAOYSA-N -1 0 296.244 3.983 50 0 CHAARM O=C([O-])Cc1csc(SCc2cccc(Cl)c2)n1 ZINC000013414371 170549109 /nfs/dbraw/zinc/54/91/09/170549109.db2.gz DVBOGSOSJIWFSH-UHFFFAOYSA-N -1 0 299.804 3.716 50 0 CHAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)c1ccccc1 ZINC000020269567 171125291 /nfs/dbraw/zinc/12/52/91/171125291.db2.gz DMMKMFFBADAPJB-HNNXBMFYSA-N -1 0 265.312 3.579 50 0 CHAARM O=C([O-])C1(c2cccc(Br)c2)CCCCC1 ZINC000020284501 171133471 /nfs/dbraw/zinc/13/34/71/171133471.db2.gz LADNJYDIETWEEI-UHFFFAOYSA-N -1 0 283.165 3.736 50 0 CHAARM O=C([O-])c1cccnc1Nc1ccc(Cl)c(Cl)c1 ZINC000021509888 171309705 /nfs/dbraw/zinc/30/97/05/171309705.db2.gz FJBJORSODLVTLR-UHFFFAOYSA-N -1 0 283.114 3.830 50 0 CHAARM Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)[O-] ZINC000022143117 171355464 /nfs/dbraw/zinc/35/54/64/171355464.db2.gz ZWWUYGVPPJUZQO-UHFFFAOYSA-N -1 0 295.747 3.660 50 0 CHAARM Cc1nc(-c2ccc(Cl)s2)sc1C(=O)[O-] ZINC000034975143 171910215 /nfs/dbraw/zinc/91/02/15/171910215.db2.gz OFMVDFXUDAXHFT-UHFFFAOYSA-N -1 0 259.739 3.532 50 0 CHAARM CCC(CC)(Cc1nc2cc(Cl)ccc2[nH]1)C(=O)[O-] ZINC000035412376 172184249 /nfs/dbraw/zinc/18/42/49/172184249.db2.gz VRCKMONEBNRXKJ-UHFFFAOYSA-N -1 0 280.755 3.650 50 0 CHAARM COc1ccc2cc(-c3c[nH]cc3C(=O)[O-])ccc2c1 ZINC000037245340 173059461 /nfs/dbraw/zinc/05/94/61/173059461.db2.gz BDSDNHNWDSQGIK-UHFFFAOYSA-N -1 0 267.284 3.542 50 0 CHAARM O=C([O-])c1cc(Cl)cc(-c2ccc(F)cc2)c1 ZINC000047207042 175404926 /nfs/dbraw/zinc/40/49/26/175404926.db2.gz WQBPPCXSAODAEI-UHFFFAOYSA-N -1 0 250.656 3.844 50 0 CHAARM O=C([O-])CCc1ccc(C(F)(F)F)cc1C(F)(F)F ZINC000071867261 176281985 /nfs/dbraw/zinc/28/19/85/176281985.db2.gz POPIIFPERMLVHR-UHFFFAOYSA-N -1 0 286.171 3.741 50 0 CHAARM COc1cccc([N-]c2nc(-c3ccccc3F)no2)c1 ZINC000071928068 176302000 /nfs/dbraw/zinc/30/20/00/176302000.db2.gz SPTVOPJJWGGONK-UHFFFAOYSA-N -1 0 285.278 3.628 50 0 CHAARM CC(C)(C)c1cnc(/C=C/c2ncc(C(=O)[O-])s2)s1 ZINC000280417816 519063944 /nfs/dbraw/zinc/06/39/44/519063944.db2.gz HVHVLVXASTVLFM-SNAWJCMRSA-N -1 0 294.401 3.766 50 0 CHAARM Cc1sccc1/C=C/c1ncc(C(=O)[O-])c(C(C)C)n1 ZINC000296100521 526907973 /nfs/dbraw/zinc/90/79/73/526907973.db2.gz ZXTWSEKNUMPMAK-SNAWJCMRSA-N -1 0 288.372 3.839 50 0 CHAARM O=C([O-])CCCCCCC(=O)c1cc(F)ccc1F ZINC000002243643 567845695 /nfs/dbraw/zinc/84/56/95/567845695.db2.gz DBNDEQIYYJKBBK-UHFFFAOYSA-N -1 0 270.275 3.573 50 0 CHAARM O=C(C=C([O-])c1ccc(F)c(Br)c1)CC1CC1 ZINC000585672365 566880361 /nfs/dbraw/zinc/88/03/61/566880361.db2.gz DKRMUOGWDCCKRD-UHFFFAOYSA-N -1 0 299.139 3.530 50 0 CHAARM O=C([O-])c1cccc(-c2nc3cc(Cl)ccc3[nH]2)c1 ZINC000033559133 566962641 /nfs/dbraw/zinc/96/26/41/566962641.db2.gz UHLQBNHANRPRNR-UHFFFAOYSA-N -1 0 272.691 3.582 50 0 CHAARM C[C@@H]1CC[C@H]2[C@H](C1)Nc1c(C(=O)[O-])cccc1C2(C)C ZINC000002111296 567047549 /nfs/dbraw/zinc/04/75/49/567047549.db2.gz AXJHPUBYXHXNHC-OSMZGAPFSA-N -1 0 273.376 3.893 50 0 CHAARM CC1(C)CCC[C@H](OC(=O)c2ccccc2C(=O)[O-])C1 ZINC000000393014 567054352 /nfs/dbraw/zinc/05/43/52/567054352.db2.gz GRLSIPLJSQRSJV-NSHDSACASA-N -1 0 276.332 3.510 50 0 CHAARM O=C([O-])c1ccc(/C=C/c2nc3ccccc3o2)cc1 ZINC000057457334 567157797 /nfs/dbraw/zinc/15/77/97/567157797.db2.gz BPZPFGPYTUDYEK-JXMROGBWSA-N -1 0 265.268 3.696 50 0 CHAARM COc1ccccc1C([O-])=C1C(=O)[C@H](C(C)C)CC[C@@H]1C ZINC000230218360 567159962 /nfs/dbraw/zinc/15/99/62/567159962.db2.gz SVOQHHZZAAXCHG-XEZPLFJOSA-N -1 0 288.387 3.765 50 0 CHAARM O=C([O-])CSc1nc2ccccc2n1C1CCCCC1 ZINC000000122753 567819106 /nfs/dbraw/zinc/81/91/06/567819106.db2.gz TUBXMRNWYPJFOL-UHFFFAOYSA-N -1 0 290.388 3.718 50 0 CHAARM O=C([O-])c1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000000133422 567819757 /nfs/dbraw/zinc/81/97/57/567819757.db2.gz VSMPMYSNFPYXIY-UHFFFAOYSA-N -1 0 287.098 3.864 50 0 CHAARM CC(=O)c1ccccc1Sc1ccccc1C(=O)[O-] ZINC000000161528 567820854 /nfs/dbraw/zinc/82/08/54/567820854.db2.gz UVKUNTVZWDIEDN-UHFFFAOYSA-N -1 0 272.325 3.739 50 0 CHAARM O=c1cc(C(F)(F)F)[n-]c2cc(C(F)(F)F)ccc12 ZINC000000170979 567821535 /nfs/dbraw/zinc/82/15/35/567821535.db2.gz KBTXVMVBORZGOL-UHFFFAOYSA-N -1 0 281.155 3.978 50 0 CHAARM COc1ccc(-c2cc(C(=O)[O-])c3cc(C)ccc3n2)cc1 ZINC000000182806 567821819 /nfs/dbraw/zinc/82/18/19/567821819.db2.gz KFYRNTCJRHILBJ-UHFFFAOYSA-N -1 0 293.322 3.917 50 0 biogenic CHAARM O=C([O-])c1ccccc1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000000295442 567824211 /nfs/dbraw/zinc/82/42/11/567824211.db2.gz ASSUNYJRBMKLBJ-UHFFFAOYSA-N -1 0 295.121 3.923 50 0 in-vitro CHAARM O=C([O-])CCn1c(-c2ccccc2)cc2ccccc21 ZINC000000312117 567824940 /nfs/dbraw/zinc/82/49/40/567824940.db2.gz CPWLVJORIJEUHI-UHFFFAOYSA-N -1 0 265.312 3.783 50 0 in-vitro CHAARM C[C@@H](C[C@H](C)C(=O)Nc1ccccc1C(C)(C)C)C(=O)[O-] ZINC000000345914 567826033 /nfs/dbraw/zinc/82/60/33/567826033.db2.gz WKPLLVBUQQDINJ-RYUDHWBXSA-N -1 0 291.391 3.670 50 0 CHAARM Cc1nc(-c2ccccc2[O-])nc2c1Cc1ccccc1O2 ZINC000001391384 567836674 /nfs/dbraw/zinc/83/66/74/567836674.db2.gz AIJVLQFVHAYLOI-UHFFFAOYSA-N -1 0 290.322 3.854 50 0 CHAARM O=C([O-])c1cccc(Nc2cc(-c3ccccc3)ncn2)c1 ZINC000001286872 567836859 /nfs/dbraw/zinc/83/68/59/567836859.db2.gz AVXYQYJUOPGQGI-UHFFFAOYSA-N -1 0 291.310 3.585 50 0 CHAARM O=C([O-])c1cnc(-c2ccccc2)nc1-c1ccccc1 ZINC000001401653 567837156 /nfs/dbraw/zinc/83/71/56/567837156.db2.gz RSTIZKRDWDDGFJ-UHFFFAOYSA-N -1 0 276.295 3.509 50 0 CHAARM Cc1ccc(C)c(Sc2ncccc2C(=O)[O-])c1 ZINC000003330553 567852364 /nfs/dbraw/zinc/85/23/64/567852364.db2.gz AEAZUZWTSYGEJY-UHFFFAOYSA-N -1 0 259.330 3.548 50 0 CHAARM Cc1ccc(Sc2ncccc2C(=O)[O-])c(C)c1 ZINC000003440402 567852900 /nfs/dbraw/zinc/85/29/00/567852900.db2.gz NCGXUBLFJFDNMA-UHFFFAOYSA-N -1 0 259.330 3.548 50 0 CHAARM O=C([O-])c1ccc(Oc2ccc(Cl)c(F)c2)cc1 ZINC000003884120 567854391 /nfs/dbraw/zinc/85/43/91/567854391.db2.gz FYMLDFYAKARAJP-UHFFFAOYSA-N -1 0 266.655 3.970 50 0 CHAARM O=C([O-])[C@@H](Oc1ccccc1-n1cccc1)c1ccccc1 ZINC000004054041 567854920 /nfs/dbraw/zinc/85/49/20/567854920.db2.gz GJFBVGMHULTJQG-KRWDZBQOSA-N -1 0 293.322 3.682 50 0 CHAARM CC[C@](C)(CC(=O)[O-])Cc1nc2ccccc2s1 ZINC000004206695 567855908 /nfs/dbraw/zinc/85/59/08/567855908.db2.gz GIBIKRFPDXOAHN-AWEZNQCLSA-N -1 0 263.362 3.730 50 0 CHAARM Cc1cc2n[n-]c(=S)n2c2c1cccc2C(C)C ZINC000012505984 567863378 /nfs/dbraw/zinc/86/33/78/567863378.db2.gz DTSIVOSTOLOSEV-UHFFFAOYSA-N -1 0 257.362 3.603 50 0 CHAARM O=C([O-])CCc1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000012954778 567864347 /nfs/dbraw/zinc/86/43/47/567864347.db2.gz GUNVLEJSOWBDBS-UHFFFAOYSA-N -1 0 284.233 3.983 50 0 CHAARM O=C([O-])c1ccc(OCc2ccc(F)cc2Cl)cc1 ZINC000013412637 567866469 /nfs/dbraw/zinc/86/64/69/567866469.db2.gz HDCNHHWWBGGCRK-UHFFFAOYSA-N -1 0 280.682 3.756 50 0 CHAARM O=C([O-])c1cccc(-c2nccc(Oc3ccccc3)n2)c1 ZINC000032918471 567886470 /nfs/dbraw/zinc/88/64/70/567886470.db2.gz YMLLSHQCLFYDLY-UHFFFAOYSA-N -1 0 292.294 3.634 50 0 CHAARM O=C([O-])c1c2ccccc2nn1[C@H]1CCCc2ccccc21 ZINC000036714043 567889913 /nfs/dbraw/zinc/88/99/13/567889913.db2.gz PHBVFAFYPLRGRS-INIZCTEOSA-N -1 0 292.338 3.660 50 0 CHAARM COc1ccc(Cl)cc1C(=O)CCCCCCC(=O)[O-] ZINC000043214171 567892418 /nfs/dbraw/zinc/89/24/18/567892418.db2.gz QIKDBHLQXHZSIZ-UHFFFAOYSA-N -1 0 298.766 3.957 50 0 CHAARM O=C([O-])c1cccc(-c2cccc(OC(F)(F)F)c2)c1 ZINC000061703058 567897218 /nfs/dbraw/zinc/89/72/18/567897218.db2.gz FJNYSKXDNSOFOH-UHFFFAOYSA-N -1 0 282.217 3.950 50 0 CHAARM CC(=O)c1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000065350532 567898494 /nfs/dbraw/zinc/89/84/94/567898494.db2.gz UETBZAAXXXTMFP-UHFFFAOYSA-N -1 0 274.703 3.908 50 0 CHAARM COc1cc(C(=O)[O-])cc(-c2cc(C)ccc2F)c1 ZINC000065350035 567898567 /nfs/dbraw/zinc/89/85/67/567898567.db2.gz LCUKFALQXGSDAY-UHFFFAOYSA-N -1 0 260.264 3.508 50 0 CHAARM O=C([O-])c1c(-c2cccc(F)c2)coc1C(F)F ZINC000725246728 567908512 /nfs/dbraw/zinc/90/85/12/567908512.db2.gz UMVPBEJVZYKLRO-UHFFFAOYSA-N -1 0 256.179 3.722 50 0 CHAARM CC(C)c1ccc(C([O-])=CC(=O)C(F)(F)F)cc1 ZINC000100497139 567913313 /nfs/dbraw/zinc/91/33/13/567913313.db2.gz RBHOXSNQVCLOCL-UHFFFAOYSA-N -1 0 258.239 3.514 50 0 CHAARM CCc1c(C)nc2ccccc2c1SCCC(=O)[O-] ZINC000000140921 567923908 /nfs/dbraw/zinc/92/39/08/567923908.db2.gz DNEFEMYTSOEURO-UHFFFAOYSA-N -1 0 275.373 3.672 50 0 CHAARM Cn1c(C(=O)[O-])ccc1-c1cc(Cl)ccc1Cl ZINC000011730417 567928478 /nfs/dbraw/zinc/92/84/78/567928478.db2.gz XXHGDPFPTGRLFR-UHFFFAOYSA-N -1 0 270.115 3.697 50 0 CHAARM O=C([O-])c1cnc2c(Cl)cc(Cl)cc2c1Cl ZINC000169725185 567939494 /nfs/dbraw/zinc/93/94/94/567939494.db2.gz XAUCCNHSIDWTLS-UHFFFAOYSA-N -1 0 276.506 3.893 50 0 CHAARM Cc1ccc([C@]2(CC(=O)[O-])CCO[C@@H](C(C)C)C2)cc1 ZINC000000488609 567939645 /nfs/dbraw/zinc/93/96/45/567939645.db2.gz ZSAAYPTYOKXXHF-NVXWUHKLSA-N -1 0 276.376 3.543 50 0 biogenic CHAARM O=C([O-])c1ccccc1SCCOc1ccc(F)cc1 ZINC000013189506 567941291 /nfs/dbraw/zinc/94/12/91/567941291.db2.gz QQHOXSNHCXMTBO-UHFFFAOYSA-N -1 0 292.331 3.695 50 0 CHAARM CC[C@@H]1CCC2=Nc3ccccc3[C@H](C(=O)[O-])[C@H]2C1 ZINC000245226342 567944100 /nfs/dbraw/zinc/94/41/00/567944100.db2.gz RUOLINNBZYUUEU-GMXABZIVSA-N -1 0 257.333 3.767 50 0 CHAARM O=C([O-])c1cc2occc2n1Cc1ccc(Cl)cc1 ZINC000032501238 567948661 /nfs/dbraw/zinc/94/86/61/567948661.db2.gz JHVAQZQWQOPQBD-UHFFFAOYSA-N -1 0 275.691 3.634 50 0 CHAARM COc1ccc(C=Nc2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC000008617542 570219207 /nfs/dbraw/zinc/21/92/07/570219207.db2.gz UIELBEHBZKVMEI-XOCFQZNGSA-N -1 0 281.311 3.544 50 0 CHAARM C[C@@](Cc1ccccc1)(C(=O)[O-])c1cccc(Cl)c1 ZINC000011732596 570220225 /nfs/dbraw/zinc/22/02/25/570220225.db2.gz STFPLJHNDCUUGV-INIZCTEOSA-N -1 0 274.747 3.925 50 0 CHAARM Cc1ccc(NC(=O)c2ccc(Cl)cc2)c(C(=O)[O-])c1 ZINC000013945750 570285271 /nfs/dbraw/zinc/28/52/71/570285271.db2.gz OHCYSHXZEYXDKY-UHFFFAOYSA-N -1 0 289.718 3.599 50 0 CHAARM O=c1nc(-c2ccccn2)[n-]c2c3ccccc3sc21 ZINC000049068725 570299983 /nfs/dbraw/zinc/29/99/83/570299983.db2.gz ALFAOHUTKFMVBY-UHFFFAOYSA-N -1 0 279.324 3.612 50 0 CHAARM Cc1ccc(C(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])cc1 ZINC000003683796 570400116 /nfs/dbraw/zinc/40/01/16/570400116.db2.gz LSCGIYLABOLXML-LSDHHAIUSA-N -1 0 272.344 3.625 50 0 CHAARM COc1cccc(Cl)c1-c1ccccc1C(=O)[O-] ZINC000314950344 1120981060 /nfs/dbraw/zinc/98/10/60/1120981060.db2.gz SHOIOSLRMPZEIZ-UHFFFAOYSA-N -1 0 262.692 3.714 50 0 CHAARM O=C([O-])c1cc(NN=Cc2cccc(F)c2)ccc1Cl ZINC000254406550 1129692929 /nfs/dbraw/zinc/69/29/29/1129692929.db2.gz MWODYLMDRIULHE-UHFFFAOYSA-N -1 0 292.697 3.623 50 0 CHAARM COc1ccc(/C=C/C(=O)[O-])cc1COc1ccc(C)cc1 ZINC000002578410 230367307 /nfs/dbraw/zinc/36/73/07/230367307.db2.gz SUMBAEQLKIWNPR-UXBLZVDNSA-N -1 0 298.338 3.680 50 0 CHAARM O=C([O-])CCCCC(=O)c1ccccc1C(F)(F)F ZINC000002579906 169813108 /nfs/dbraw/zinc/81/31/08/169813108.db2.gz WZBTYVSWZZCRBJ-UHFFFAOYSA-N -1 0 274.238 3.533 50 0 CHAARM O=C([O-])/C=C/c1c(Cl)c(Cl)ccc1OC(F)F ZINC000263623953 190070326 /nfs/dbraw/zinc/07/03/26/190070326.db2.gz MDGRKIPQHJJBJK-DAFODLJHSA-N -1 0 283.057 3.693 50 0 CHAARM O=C([O-])/C=C/c1c(Cl)ccc(OC(F)F)c1Cl ZINC000263624245 190070875 /nfs/dbraw/zinc/07/08/75/190070875.db2.gz OQQNWJWAHCVYIO-DAFODLJHSA-N -1 0 283.057 3.693 50 0 CHAARM CCCc1c(C(=O)[O-])cnn1-c1cc(Cl)cc(Cl)c1 ZINC000000115009 169541222 /nfs/dbraw/zinc/54/12/22/169541222.db2.gz CIAUICOJDLJNBL-UHFFFAOYSA-N -1 0 299.157 3.830 50 0 CHAARM COc1ccc(/C=C/C(=O)[O-])cc1COc1cccc(C)c1 ZINC000000374020 169621707 /nfs/dbraw/zinc/62/17/07/169621707.db2.gz WZHFSVKLECIXPE-VQHVLOKHSA-N -1 0 298.338 3.680 50 0 CHAARM COc1ccc(C(=O)[O-])cc1COc1cc(C)ccc1C ZINC000000373446 169621855 /nfs/dbraw/zinc/62/18/55/169621855.db2.gz YFAQWQLZXITRAL-UHFFFAOYSA-N -1 0 286.327 3.589 50 0 CHAARM O=C([O-])c1ccccc1-c1nc2ccccc2s1 ZINC000001420689 169704032 /nfs/dbraw/zinc/70/40/32/169704032.db2.gz IUHKJRBEJIXPHA-UHFFFAOYSA-N -1 0 255.298 3.662 50 0 CHAARM Cc1ccc(C)c(C(=O)CCCCCCC(=O)[O-])c1 ZINC000002378620 169787833 /nfs/dbraw/zinc/78/78/33/169787833.db2.gz ZEGRXWUJHVOUFQ-UHFFFAOYSA-N -1 0 262.349 3.911 50 0 CHAARM Cc1cc(Cl)ccc1Oc1ncccc1C(=O)[O-] ZINC000002571144 169810945 /nfs/dbraw/zinc/81/09/45/169810945.db2.gz JKKQLRXESWUKIY-UHFFFAOYSA-N -1 0 263.680 3.534 50 0 CHAARM O=C([O-])c1cccc(Oc2cccc(C(F)(F)F)c2)n1 ZINC000003131382 169858976 /nfs/dbraw/zinc/85/89/76/169858976.db2.gz LFRASJXUIQMIMC-UHFFFAOYSA-N -1 0 283.205 3.591 50 0 CHAARM Cc1cccc(C([O-])=CC(=O)c2cc(Cl)ccc2O)c1 ZINC000005044385 170060198 /nfs/dbraw/zinc/06/01/98/170060198.db2.gz GVPDHEGDQSUGKQ-UHFFFAOYSA-N -1 0 288.730 3.810 50 0 CHAARM CC(C)(C)[C@@H]1CCc2c(sc3[n-]c(=S)[nH]c(=O)c23)C1 ZINC000005130782 170069137 /nfs/dbraw/zinc/06/91/37/170069137.db2.gz GUCWTMVXCIIUAL-SSDOTTSWSA-N -1 0 294.445 3.798 50 0 CHAARM O=C([O-])C/C(=C\c1ccsc1)c1nc2ccccc2o1 ZINC000005269525 170081639 /nfs/dbraw/zinc/08/16/39/170081639.db2.gz GFLRBYHWVPJRRX-YRNVUSSQSA-N -1 0 285.324 3.905 50 0 CHAARM CC(C)c1cccc(C(C)C)c1NC(=O)CCC(=O)[O-] ZINC000006699669 170228545 /nfs/dbraw/zinc/22/85/45/170228545.db2.gz LVMJGVKRJMFSID-UHFFFAOYSA-N -1 0 277.364 3.737 50 0 CHAARM Cc1oc2cc([O-])ccc2c(=O)c1Oc1ccccc1 ZINC000006766372 170242232 /nfs/dbraw/zinc/24/22/32/170242232.db2.gz WGDLKKMGZLAZSL-UHFFFAOYSA-N -1 0 268.268 3.599 50 0 biogenic CHAARM C[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1cccs1 ZINC000008183667 170323254 /nfs/dbraw/zinc/32/32/54/170323254.db2.gz RZNIUJUUYFZCHZ-QMMMGPOBSA-N -1 0 281.764 3.598 50 0 CHAARM O=C([O-])C1(CC(=O)Nc2ccccc2F)CCCCCC1 ZINC000008745830 170353907 /nfs/dbraw/zinc/35/39/07/170353907.db2.gz IGADYSBRJGCXKH-UHFFFAOYSA-N -1 0 293.338 3.580 50 0 CHAARM Cc1[n-]n(-c2ccccc2)c(=O)c1-c1cccc(Cl)c1 ZINC000008828963 170356800 /nfs/dbraw/zinc/35/68/00/170356800.db2.gz VDIJVUPJTKPKEF-UHFFFAOYSA-N -1 0 284.746 3.794 50 0 CHAARM O=C([O-])c1ccc(-c2ccc(Br)cc2)s1 ZINC000011730401 170434546 /nfs/dbraw/zinc/43/45/46/170434546.db2.gz VZLAAWUSRTYBGI-UHFFFAOYSA-N -1 0 283.146 3.876 50 0 CHAARM Cc1ccc(-c2cc(C(=O)[O-])c3cnn(C(C)C)c3n2)cc1 ZINC000012505097 170491589 /nfs/dbraw/zinc/49/15/89/170491589.db2.gz JFJBTWMEPMYGPG-UHFFFAOYSA-N -1 0 295.342 3.686 50 0 CHAARM CCO[N-]C(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000012849005 170514186 /nfs/dbraw/zinc/51/41/86/170514186.db2.gz CXMCWJMJISTXDS-OAHLLOKOSA-N -1 0 287.384 3.588 50 0 CHAARM O=C([O-])C1(c2ccc(Br)cc2)CCCCC1 ZINC000020281972 171133083 /nfs/dbraw/zinc/13/30/83/171133083.db2.gz JJVXUXDLDJORKK-UHFFFAOYSA-N -1 0 283.165 3.736 50 0 CHAARM O=C([O-])C1(c2c(Cl)cccc2Cl)CCCC1 ZINC000020429418 171194603 /nfs/dbraw/zinc/19/46/03/171194603.db2.gz UBLZDOXMNDTCMQ-UHFFFAOYSA-N -1 0 259.132 3.890 50 0 CHAARM C[C@@H]1CC=CC[C@H]1COCc1cccc(C(=O)[O-])c1 ZINC000020519071 171233109 /nfs/dbraw/zinc/23/31/09/171233109.db2.gz XXFBBSJHZMRSHZ-DOMZBBRYSA-N -1 0 260.333 3.504 50 0 CHAARM FC(F)(F)c1cc([S-])cc(Br)c1 ZINC000036532976 172638606 /nfs/dbraw/zinc/63/86/06/172638606.db2.gz BIOUKJLBCCXLHW-UHFFFAOYSA-N -1 0 257.074 3.757 50 0 CHAARM O=C([O-])[C@H](Oc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000037374933 173164145 /nfs/dbraw/zinc/16/41/45/173164145.db2.gz CGUGZTHXTKFWPR-CYBMUJFWSA-N -1 0 280.682 3.684 50 0 CHAARM Cc1cccc(CC(Cc2cccc(C)c2)C(=O)[O-])c1 ZINC000037528503 173252265 /nfs/dbraw/zinc/25/22/65/173252265.db2.gz MLCIHSYLNACGHG-UHFFFAOYSA-N -1 0 268.356 3.789 50 0 CHAARM Cc1c(C)c(C)c(C(=O)C[C@@H](C)CC(=O)[O-])c(C)c1C ZINC000043214270 174984781 /nfs/dbraw/zinc/98/47/81/174984781.db2.gz UQVOINUANQWQRP-SECBINFHSA-N -1 0 276.376 3.912 50 0 CHAARM O=C([O-])c1sc(Nc2ccccn2)nc1-c1ccccc1 ZINC000057352097 175593368 /nfs/dbraw/zinc/59/33/68/175593368.db2.gz MJUSDNLWSBVHTA-UHFFFAOYSA-N -1 0 297.339 3.647 50 0 CHAARM Cc1nc(/C=C/C2CCCCC2)sc1C(=O)[O-] ZINC000534636369 328333890 /nfs/dbraw/zinc/33/38/90/328333890.db2.gz RIABAXDEEPZOIU-BQYQJAHWSA-N -1 0 251.351 3.743 50 0 CHAARM CC(C)(C)c1ccc(C(=O)CCCCC(=O)[O-])cc1 ZINC000002579956 567848422 /nfs/dbraw/zinc/84/84/22/567848422.db2.gz WBPZIZTWKYCJSM-UHFFFAOYSA-N -1 0 262.349 3.812 50 0 CHAARM Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1Cl ZINC000002970862 567850518 /nfs/dbraw/zinc/85/05/18/567850518.db2.gz KOTPGHDHHVOARW-UHFFFAOYSA-N -1 0 287.793 3.511 50 0 CHAARM Cc1c(Oc2ccc3[nH]ccc3c2)cccc1C(=O)[O-] ZINC000521398503 566977370 /nfs/dbraw/zinc/97/73/70/566977370.db2.gz KRUHVNICBHLPPJ-UHFFFAOYSA-N -1 0 267.284 3.967 50 0 CHAARM COc1ccc2cc([C@H](C)C(=O)[O-])ccc2c1Cl ZINC000039389479 567087790 /nfs/dbraw/zinc/08/77/90/567087790.db2.gz RVVAYDHIVLCPBC-QMMMGPOBSA-N -1 0 264.708 3.690 50 0 CHAARM CCCC[C@H](C(=O)[O-])[C@@H](C)CC(=O)Nc1ccccc1 ZINC000002329721 567100456 /nfs/dbraw/zinc/10/04/56/567100456.db2.gz MRPWMJUQIHSLRT-JSGCOSHPSA-N -1 0 277.364 3.542 50 0 CHAARM Clc1ccccc1-c1csc([N-]c2ncccn2)n1 ZINC000067321829 567196287 /nfs/dbraw/zinc/19/62/87/567196287.db2.gz RVZTULTZWGLZBI-UHFFFAOYSA-N -1 0 288.763 3.997 50 0 CHAARM Cc1c(C(=O)[O-])c(-c2ccccc2)nn1-c1ccccc1 ZINC000000035805 567816731 /nfs/dbraw/zinc/81/67/31/567816731.db2.gz FWIYNXGMTSTQBJ-UHFFFAOYSA-N -1 0 278.311 3.546 50 0 CHAARM [O-]c1ccc(Cl)cc1Cc1cc(Cl)ccc1O ZINC000000056435 567817125 /nfs/dbraw/zinc/81/71/25/567817125.db2.gz MDNWOSOZYLHTCG-UHFFFAOYSA-N -1 0 269.127 3.995 50 0 world CHAARM Cc1ccc(CSc2ccccc2C(=O)[O-])cc1 ZINC000000170220 567821379 /nfs/dbraw/zinc/82/13/79/567821379.db2.gz KHKYMBMPMKQXCP-UHFFFAOYSA-N -1 0 258.342 3.986 50 0 CHAARM O=C([O-])[C@@H]1CC(c2ccccc2)=Nc2ccccc2S1 ZINC000000187345 567821720 /nfs/dbraw/zinc/82/17/20/567821720.db2.gz BUHNCRFGISFTRP-HNNXBMFYSA-N -1 0 283.352 3.756 50 0 CHAARM O=C([O-])[C@H]1Sc2ccccc2Oc2ccccc21 ZINC000000347503 567826180 /nfs/dbraw/zinc/82/61/80/567826180.db2.gz ANHXGSCQPJHOKF-ZDUSSCGKSA-N -1 0 258.298 3.710 50 0 CHAARM CCc1ccc2nc(-c3ccncc3)cc(C(=O)[O-])c2c1 ZINC000000416402 567829933 /nfs/dbraw/zinc/82/99/33/567829933.db2.gz ZTMORCBSJDCVCN-UHFFFAOYSA-N -1 0 278.311 3.557 50 0 CHAARM CC(=O)C(Sc1ccccc1)=C([O-])c1ccccc1 ZINC000000448897 567830539 /nfs/dbraw/zinc/83/05/39/567830539.db2.gz ZTGXKGGOORUUBD-INIZCTEOSA-N -1 0 270.353 3.619 50 0 CHAARM Cc1csc(SCCCCCCC(=O)[O-])n1 ZINC000002473734 567845859 /nfs/dbraw/zinc/84/58/59/567845859.db2.gz JHUHIEQJCGXEMA-UHFFFAOYSA-N -1 0 259.396 3.579 50 0 CHAARM O=C([O-])CCCC(=O)c1cccc(Oc2ccccc2)c1 ZINC000002580001 567848366 /nfs/dbraw/zinc/84/83/66/567848366.db2.gz LZGWDNAFPYZAQT-UHFFFAOYSA-N -1 0 284.311 3.917 50 0 CHAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc2ccccc21 ZINC000002729139 567849160 /nfs/dbraw/zinc/84/91/60/567849160.db2.gz IJHXQOHCEWIYQS-LSDHHAIUSA-N -1 0 297.354 3.669 50 0 CHAARM Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)[O-])cc1 ZINC000003888032 567854198 /nfs/dbraw/zinc/85/41/98/567854198.db2.gz SLCBEWVMMQNFTN-UHFFFAOYSA-N -1 0 296.301 3.685 50 0 CHAARM C[C@H]1CCc2c(sc3[n-]c(=S)[nH]c(=S)c23)C1 ZINC000004204857 567855874 /nfs/dbraw/zinc/85/58/74/567855874.db2.gz IJLMMUJHXJBGAF-YFKPBYRVSA-N -1 0 268.432 3.767 50 0 CHAARM O=C([O-])c1sc(-c2ccco2)nc1-c1ccccc1 ZINC000012760864 567863990 /nfs/dbraw/zinc/86/39/90/567863990.db2.gz ISOKSHFZZCNJOR-UHFFFAOYSA-N -1 0 271.297 3.768 50 0 CHAARM O=C([O-])CCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000012954609 567864525 /nfs/dbraw/zinc/86/45/25/567864525.db2.gz LMHUSEBWZSOLAN-UHFFFAOYSA-N -1 0 292.338 3.557 50 0 CHAARM Cc1ccc(Oc2c(C)nc(-c3ccccc3)[nH]c2=O)cc1 ZINC000013469630 567866332 /nfs/dbraw/zinc/86/63/32/567866332.db2.gz KGCKRTMFQYJNRG-UHFFFAOYSA-N -1 0 292.338 3.846 50 0 CHAARM Cc1cccc(NC(=S)Nc2cccc(C(=O)[O-])c2)c1 ZINC000013795599 567868089 /nfs/dbraw/zinc/86/80/89/567868089.db2.gz INORHJMEZBHHBT-UHFFFAOYSA-N -1 0 286.356 3.502 50 0 CHAARM O=C(c1ccc([O-])c(Cl)c1)N1CC[C@@H]2CCCC[C@H]2C1 ZINC000032845338 567869135 /nfs/dbraw/zinc/86/91/35/567869135.db2.gz IOHSTBGPPGIDDJ-AAEUAGOBSA-N -1 0 293.794 3.698 50 0 CHAARM Cc1cc(-c2cccc(Br)n2)ccc1C(=O)[O-] ZINC000016696614 567873723 /nfs/dbraw/zinc/87/37/23/567873723.db2.gz NATPZGMOBLARQC-UHFFFAOYSA-N -1 0 292.132 3.518 50 0 CHAARM CC(C)(C)c1ccc(-c2cncc(C(=O)[O-])c2)cc1 ZINC000016947804 567874131 /nfs/dbraw/zinc/87/41/31/567874131.db2.gz AHWIXPRHCJGVLC-UHFFFAOYSA-N -1 0 255.317 3.744 50 0 CHAARM O=C([O-])c1cc2c([nH]1)c(Cl)ccc2C(F)(F)F ZINC000016941612 567874323 /nfs/dbraw/zinc/87/43/23/567874323.db2.gz QWNKFHSKFIOVSK-UHFFFAOYSA-N -1 0 263.602 3.538 50 0 CHAARM Cc1c(C(=O)[O-])c2ccccc2n1Cc1ccccc1 ZINC000024542090 567882591 /nfs/dbraw/zinc/88/25/91/567882591.db2.gz FQHPBNUKSYOYHZ-UHFFFAOYSA-N -1 0 265.312 3.696 50 0 CHAARM O=C([O-])c1cccc(-c2ccc(Oc3ccccc3)nn2)c1 ZINC000032918461 567886210 /nfs/dbraw/zinc/88/62/10/567886210.db2.gz WJIKCLDATQDJPJ-UHFFFAOYSA-N -1 0 292.294 3.634 50 0 CHAARM Cc1ccc(Cl)c2c(=O)cc(C(F)(F)F)[n-]c12 ZINC000036912517 567889892 /nfs/dbraw/zinc/88/98/92/567889892.db2.gz DUBOQUSBINLJOK-UHFFFAOYSA-N -1 0 261.630 3.921 50 0 CHAARM O=C([O-])CCCCCC(=O)c1cc(F)c(F)cc1Cl ZINC000043214184 567892488 /nfs/dbraw/zinc/89/24/88/567892488.db2.gz LJMWUUBWEKUTJF-UHFFFAOYSA-N -1 0 290.693 3.836 50 0 CHAARM CSc1nc(=O)c2scc(-c3ccccc3F)c2[n-]1 ZINC000062591982 567897553 /nfs/dbraw/zinc/89/75/53/567897553.db2.gz AFDAYMVJHVQALW-UHFFFAOYSA-N -1 0 292.360 3.925 50 0 CHAARM O=C([O-])Cc1ccc(-c2cc(F)cc(Cl)c2)cc1 ZINC000074938301 567903719 /nfs/dbraw/zinc/90/37/19/567903719.db2.gz KFFSYUUGAKFINH-UHFFFAOYSA-N -1 0 264.683 3.773 50 0 CHAARM Cc1cc(C(F)(F)F)c(C(=O)[O-])cc1C(F)(F)F ZINC000098210813 567911655 /nfs/dbraw/zinc/91/16/55/567911655.db2.gz XONWPGMYEQXSBC-UHFFFAOYSA-N -1 0 272.144 3.731 50 0 CHAARM Cc1ccc(-c2cc(=O)n(-c3ccc(F)cc3)[n-]2)cc1 ZINC000100072275 567912107 /nfs/dbraw/zinc/91/21/07/567912107.db2.gz OUMCNCHZBZZNEG-UHFFFAOYSA-N -1 0 268.291 3.692 50 0 CHAARM O=C([O-])[C@@H](Sc1ncnc2ccccc21)c1ccccc1 ZINC000000155571 567923721 /nfs/dbraw/zinc/92/37/21/567923721.db2.gz JAAJTNCVCJSTHK-AWEZNQCLSA-N -1 0 296.351 3.548 50 0 CHAARM CC(C)Nc1nc(-c2ccccc2[O-])nc2ccccc21 ZINC000000300174 567926414 /nfs/dbraw/zinc/92/64/14/567926414.db2.gz MYQQRKMXVOUUDV-UHFFFAOYSA-N -1 0 279.343 3.823 50 0 CHAARM Cc1[n-]n2c(nc(C(C)C)cc2=O)c1-c1ccccc1 ZINC000100756824 567928591 /nfs/dbraw/zinc/92/85/91/567928591.db2.gz NXTFQMNPMKBHLX-UHFFFAOYSA-N -1 0 267.332 3.534 50 0 CHAARM C[P@](=O)([O-])[C@H](c1cccc(Cl)c1)C(F)(F)F ZINC000000256176 567931310 /nfs/dbraw/zinc/93/13/10/567931310.db2.gz QHBUTWMUROQXIY-MRVPVSSYSA-N -1 0 272.590 3.844 50 0 CHAARM O=C([O-])COc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000004164743 567932373 /nfs/dbraw/zinc/93/23/73/567932373.db2.gz GPSBMOROJAOXTL-UHFFFAOYSA-N -1 0 278.691 3.596 50 0 CHAARM O=C([O-])c1sccc1NC(=O)c1cccc2ccccc21 ZINC000019803441 567944744 /nfs/dbraw/zinc/94/47/44/567944744.db2.gz MCFYEPNEHBNMGZ-UHFFFAOYSA-N -1 0 297.335 3.852 50 0 CHAARM CC(C)CCC[C@@H](C)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000025344331 567948978 /nfs/dbraw/zinc/94/89/78/567948978.db2.gz NWQLXHOVLGWOIP-LLVKDONJSA-N -1 0 283.799 3.990 50 0 CHAARM Cc1nn(-c2ccccc2)c2nc(C(C)C)cc(C(=O)[O-])c12 ZINC000011567308 570219716 /nfs/dbraw/zinc/21/97/16/570219716.db2.gz OXKCSPSWZWVIOF-UHFFFAOYSA-N -1 0 295.342 3.551 50 0 CHAARM O=C([O-])c1ccc(-c2ccc(F)cc2)cc1Cl ZINC000047207048 570237343 /nfs/dbraw/zinc/23/73/43/570237343.db2.gz HCKYAJFHYCUTRT-UHFFFAOYSA-N -1 0 250.656 3.844 50 0 CHAARM Cc1ccc2oc(-c3cccc(C(=O)[O-])c3)nc2c1 ZINC000033420447 570312296 /nfs/dbraw/zinc/31/22/96/570312296.db2.gz KXKVQXJIEZLWTI-UHFFFAOYSA-N -1 0 253.257 3.501 50 0 CHAARM Cc1ccccc1NC(=O)c1cc(Cl)ccc1[O-] ZINC000000610060 570400342 /nfs/dbraw/zinc/40/03/42/570400342.db2.gz OIXYOOKMGLPUNR-UHFFFAOYSA-N -1 0 261.708 3.606 50 0 CHAARM Cc1sc(Nc2cccc(Cl)c2)nc1C(=O)[O-] ZINC000137199226 1118877114 /nfs/dbraw/zinc/87/71/14/1118877114.db2.gz AXBQILFRSRYGCI-UHFFFAOYSA-N -1 0 268.725 3.547 50 0 CHAARM CCc1cc(=O)n2[n-]c(C)c(-c3ccc(Cl)cc3)c2n1 ZINC000100163324 1119025782 /nfs/dbraw/zinc/02/57/82/1119025782.db2.gz ROTPSYIQLSESMS-UHFFFAOYSA-N -1 0 287.750 3.626 50 0 CHAARM O=C(c1ccccc1)c1cc(F)cc(Br)c1[O-] ZINC000052068531 1119281735 /nfs/dbraw/zinc/28/17/35/1119281735.db2.gz BZNRLNMBKZCMNS-UHFFFAOYSA-N -1 0 295.107 3.525 50 0 CHAARM O=C([O-])CCc1ccccc1Sc1ccccc1F ZINC000005450559 1119775595 /nfs/dbraw/zinc/77/55/95/1119775595.db2.gz HGWZLZIKLAYUTC-UHFFFAOYSA-N -1 0 276.332 3.994 50 0 CHAARM Cc1oc(C)c2c1c(O)cc(-c1ccccc1)cc2=O ZINC000023549766 1119911394 /nfs/dbraw/zinc/91/13/94/1119911394.db2.gz HEYMZCFSOQGMMG-UHFFFAOYSA-N -1 0 266.296 3.782 50 0 CHAARM O=c1c2ccccc2[n-]c(=S)n1CCC1CCCC1 ZINC000012541004 1122508103 /nfs/dbraw/zinc/50/81/03/1122508103.db2.gz LNEGYVYXAWUVKG-UHFFFAOYSA-N -1 0 274.389 3.639 50 0 CHAARM O=C([O-])c1cc(Br)cc2c3c([nH]c21)CCCC3 ZINC000004019144 1122850068 /nfs/dbraw/zinc/85/00/68/1122850068.db2.gz OWTRPKPXTZOLMN-UHFFFAOYSA-N -1 0 294.148 3.507 50 0 CHAARM O=C([O-])C[C@@]12C[C@H]3C[C@@H](C1)C[C@](c1ccccc1)(C3)C2 ZINC000238852904 189901007 /nfs/dbraw/zinc/90/10/07/189901007.db2.gz HUDYINFVSMWUNU-FYGLJJOGSA-N -1 0 270.372 3.999 50 0 CHAARM O=C([O-])CCCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000000152881 169556210 /nfs/dbraw/zinc/55/62/10/169556210.db2.gz VGKCGFKJNZXVIX-UHFFFAOYSA-N -1 0 299.326 3.672 50 0 CHAARM O=C([O-])CCOc1cc(Cl)c(Cl)cc1Cl ZINC000000334858 169609994 /nfs/dbraw/zinc/60/99/94/169609994.db2.gz TZMWJEKNHBCUKP-UHFFFAOYSA-N -1 0 269.511 3.500 50 0 CHAARM O=C([O-])CCCCCCC(=O)c1cccc(F)c1F ZINC000002243639 169783384 /nfs/dbraw/zinc/78/33/84/169783384.db2.gz KAOYELMEFDMPBM-UHFFFAOYSA-N -1 0 270.275 3.573 50 0 CHAARM O=C([O-])c1cc(-c2cccc(O)c2)nc2ccc(Cl)cc21 ZINC000002521442 169801405 /nfs/dbraw/zinc/80/14/05/169801405.db2.gz ZNQXAJKEJJLIIX-UHFFFAOYSA-N -1 0 299.713 3.959 50 0 CHAARM C[C@H](C(=O)[O-])[C@H](C(=O)c1ccccc1)c1ccc(F)cc1 ZINC000004110394 169933839 /nfs/dbraw/zinc/93/38/39/169933839.db2.gz LESZDLMKMPPZLG-NHYWBVRUSA-N -1 0 286.302 3.513 50 0 CHAARM CCc1cccc(C)c1NC(=O)Nc1ccccc1C(=O)[O-] ZINC000004776667 170015415 /nfs/dbraw/zinc/01/54/15/170015415.db2.gz WFEBLQQPFSYBDC-UHFFFAOYSA-N -1 0 298.342 3.900 50 0 CHAARM O=C([O-])c1ccc(NC(=O)Nc2ccccc2Cl)cc1 ZINC000004776659 170015421 /nfs/dbraw/zinc/01/54/21/170015421.db2.gz WAFFEIYQHMXIDW-UHFFFAOYSA-N -1 0 290.706 3.682 50 0 CHAARM CC1(C)C[C@](CC(=O)[O-])(Cc2ccccc2Cl)CCO1 ZINC000005341959 170087676 /nfs/dbraw/zinc/08/76/76/170087676.db2.gz DTWHZFUUSCPCPG-INIZCTEOSA-N -1 0 296.794 3.933 50 0 CHAARM O=C([O-])Cc1csc(-c2cccc3ccccc32)n1 ZINC000005592329 170116872 /nfs/dbraw/zinc/11/68/72/170116872.db2.gz LVBIDCYDHPYFJZ-UHFFFAOYSA-N -1 0 269.325 3.590 50 0 CHAARM CCc1oc2cc([O-])ccc2c(=O)c1Oc1ccccc1 ZINC000005686720 170129105 /nfs/dbraw/zinc/12/91/05/170129105.db2.gz BFRJZUGDYXGRDU-UHFFFAOYSA-N -1 0 282.295 3.853 50 0 CHAARM Cc1ccc(COc2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC000005794264 170140823 /nfs/dbraw/zinc/14/08/23/170140823.db2.gz ZOWBWOIRBZVAHK-DHZHZOJOSA-N -1 0 268.312 3.672 50 0 CHAARM O=c1c2ccsc2[n-]c(=S)n1C1CCCCC1 ZINC000006538348 170211746 /nfs/dbraw/zinc/21/17/46/170211746.db2.gz XZBSKLFOGUPGDY-UHFFFAOYSA-N -1 0 266.391 3.626 50 0 CHAARM CCc1ccc(NCc2ccc(C(=O)[O-])s2)cc1 ZINC000006797803 170244927 /nfs/dbraw/zinc/24/49/27/170244927.db2.gz WPNGJWUKAZHCBC-UHFFFAOYSA-N -1 0 261.346 3.621 50 0 CHAARM O=C([O-])CCc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000008019454 170314104 /nfs/dbraw/zinc/31/41/04/170314104.db2.gz CQGVXQIKBAYISR-UHFFFAOYSA-N -1 0 290.746 3.936 50 0 CHAARM O=C([O-])c1csc2c1CC[C@@H](c1ccccc1)C2 ZINC000009646745 170383571 /nfs/dbraw/zinc/38/35/71/170383571.db2.gz ZJGLZSUOMCGIQE-LLVKDONJSA-N -1 0 258.342 3.719 50 0 CHAARM O=C([O-])Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000012360226 170479314 /nfs/dbraw/zinc/47/93/14/170479314.db2.gz HCSJKRALCMDCMF-UHFFFAOYSA-N -1 0 299.757 3.970 50 0 CHAARM CC(C)Cc1ccc(-c2cnc(CCC(=O)[O-])o2)cc1 ZINC000012505270 170491710 /nfs/dbraw/zinc/49/17/10/170491710.db2.gz VISKHAXVXGLINM-UHFFFAOYSA-N -1 0 273.332 3.557 50 0 CHAARM Cc1cccc(Cc2cc(C)cc(C)c2[S@](=O)[O-])c1 ZINC000019865138 170899235 /nfs/dbraw/zinc/89/92/35/170899235.db2.gz HEAVPNMPOMHCRO-UHFFFAOYSA-N -1 0 274.385 3.783 50 0 CHAARM O=C([O-])c1ccc2oc(-c3cccc(Cl)c3)nc2c1 ZINC000020158774 171039919 /nfs/dbraw/zinc/03/99/19/171039919.db2.gz AHWJHYDSKSDVLP-UHFFFAOYSA-N -1 0 273.675 3.846 50 0 CHAARM Cc1c(C(=O)[O-])sc2ncnc(Nc3ccccc3C)c12 ZINC000020328473 171151695 /nfs/dbraw/zinc/15/16/95/171151695.db2.gz DPYWEBZKVZFXLN-UHFFFAOYSA-N -1 0 299.355 3.750 50 0 CHAARM O=C([O-])Cc1nc(-c2cccc3ccccc32)cs1 ZINC000020432898 171197945 /nfs/dbraw/zinc/19/79/45/171197945.db2.gz AVNHUGJNGGIJIL-UHFFFAOYSA-N -1 0 269.325 3.590 50 0 CHAARM CCOc1cccc(CNc2ccc(C(=O)[O-])cc2C)c1 ZINC000020881183 171277780 /nfs/dbraw/zinc/27/77/80/171277780.db2.gz QNZKONWPFABXEQ-UHFFFAOYSA-N -1 0 285.343 3.704 50 0 CHAARM CCCCCCNc1cc(C(=O)[O-])c2ccccc2n1 ZINC000021715184 171319444 /nfs/dbraw/zinc/31/94/44/171319444.db2.gz KFIAOKVCAHJKLD-UHFFFAOYSA-N -1 0 272.348 3.925 50 0 CHAARM O=C([O-])c1cccc(OCc2ccccc2OC(F)F)c1 ZINC000037208100 173029389 /nfs/dbraw/zinc/02/93/89/173029389.db2.gz UGFHLOYCSQLPNJ-UHFFFAOYSA-N -1 0 294.253 3.565 50 0 CHAARM O=C([O-])c1csc(-c2cccc3ccccc32)n1 ZINC000037309022 173111655 /nfs/dbraw/zinc/11/16/55/173111655.db2.gz AQRUWPVKXHZCKR-UHFFFAOYSA-N -1 0 255.298 3.662 50 0 CHAARM O=C([O-])c1ccc(-c2ccc(OC(F)F)cc2)s1 ZINC000037326656 173127149 /nfs/dbraw/zinc/12/71/49/173127149.db2.gz GEIKDXXXDUHSIO-UHFFFAOYSA-N -1 0 270.256 3.715 50 0 CHAARM O=C([O-])c1ccc(-c2ccccc2Cl)cc1F ZINC000038078176 174087987 /nfs/dbraw/zinc/08/79/87/174087987.db2.gz HSXOFSGULVKCHO-UHFFFAOYSA-N -1 0 250.656 3.844 50 0 CHAARM C[C@@H](CC(=O)[O-])CC(=O)c1cccc2ccccc21 ZINC000043214221 174984731 /nfs/dbraw/zinc/98/47/31/174984731.db2.gz QGZMTTKGJGSGSJ-LLVKDONJSA-N -1 0 256.301 3.523 50 0 CHAARM O=C([O-])c1ccc(-c2cccc(Cl)c2)cc1F ZINC000044367168 175168178 /nfs/dbraw/zinc/16/81/78/175168178.db2.gz MNRXPTXPQMHPAT-UHFFFAOYSA-N -1 0 250.656 3.844 50 0 CHAARM COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1C(=O)[O-] ZINC000045930432 175387248 /nfs/dbraw/zinc/38/72/48/175387248.db2.gz NQAIYIFIAKRVAR-UHFFFAOYSA-N -1 0 286.371 3.861 50 0 CHAARM Cc1c(Cl)ccc2c(Cl)cc(C(=O)[O-])nc12 ZINC000071025604 176021493 /nfs/dbraw/zinc/02/14/93/176021493.db2.gz VYLAJSIIDCFUNY-UHFFFAOYSA-N -1 0 256.088 3.548 50 0 CHAARM Cc1sc(Oc2ccccc2Cl)nc1C(=O)[O-] ZINC000072323933 176369216 /nfs/dbraw/zinc/36/92/16/176369216.db2.gz MULYPOXYUIOYEM-UHFFFAOYSA-N -1 0 269.709 3.595 50 0 CHAARM CCOC(=O)CCCCCCCCCCC(=O)[O-] ZINC000015146141 260086674 /nfs/dbraw/zinc/08/66/74/260086674.db2.gz VJOPNKODAZUCRH-UHFFFAOYSA-N -1 0 258.358 3.535 50 0 in-vitro CHAARM Cc1sc(/C=C\c2cccc(Cl)c2)nc1C(=O)[O-] ZINC000549619991 334199713 /nfs/dbraw/zinc/19/97/13/334199713.db2.gz VSYMJZKKBZWVSA-WAYWQWQTSA-N -1 0 279.748 3.974 50 0 CHAARM CC(C)(C)OC(=O)N[C@@H](CCC(=O)[O-])CC1CCCCC1 ZINC000059206659 566876531 /nfs/dbraw/zinc/87/65/31/566876531.db2.gz KWAZBFFJSLAYPW-ZDUSSCGKSA-N -1 0 299.411 3.715 50 0 CHAARM Cc1oc(-c2cccc(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000001431314 566880078 /nfs/dbraw/zinc/88/00/78/566880078.db2.gz MGLJKGGFRZAAJT-UHFFFAOYSA-N -1 0 270.206 3.972 50 0 CHAARM C[C@@H](CC(=O)c1ccc(-c2ccc(F)cc2)cc1)C(=O)[O-] ZINC000043190844 566916112 /nfs/dbraw/zinc/91/61/12/566916112.db2.gz NOZRJRKRYZIYSD-NSHDSACASA-N -1 0 286.302 3.786 50 0 CHAARM Cc1cc(N2C[C@H](C)C[C@@H](C)C2)nc(-c2ccccc2[O-])n1 ZINC000006501239 566977826 /nfs/dbraw/zinc/97/78/26/566977826.db2.gz ODRLNZFAGQVHGI-CHWSQXEVSA-N -1 0 297.402 3.640 50 0 CHAARM CC1(C)CCC[C@@H](OC(=O)c2ccccc2C(=O)[O-])C1 ZINC000000393013 567054333 /nfs/dbraw/zinc/05/43/33/567054333.db2.gz GRLSIPLJSQRSJV-LLVKDONJSA-N -1 0 276.332 3.510 50 0 CHAARM c1ccc2c(c1)c(NC1CCCC1)n[n-]/c2=N\C1CCCC1 ZINC000003194757 567163616 /nfs/dbraw/zinc/16/36/16/567163616.db2.gz SVSODTYYOBUDHQ-UHFFFAOYSA-N -1 0 296.418 3.761 50 0 CHAARM Cc1ccc(C)c(C(=O)c2c(C)ccc(C)c2C(=O)[O-])c1 ZINC000003473240 567175971 /nfs/dbraw/zinc/17/59/71/567175971.db2.gz ICTFUUQEJQICLF-UHFFFAOYSA-N -1 0 282.339 3.849 50 0 CHAARM Cc1ccc(-c2cc(C(=O)[O-])c3ccccc3n2)s1 ZINC000000035865 567816676 /nfs/dbraw/zinc/81/66/76/567816676.db2.gz SMFDPIVZZGFOPD-UHFFFAOYSA-N -1 0 269.325 3.970 50 0 CHAARM O=C([O-])/C=C/c1nc(-c2ccc(Cl)cc2)n2ccccc12 ZINC000000064909 567817294 /nfs/dbraw/zinc/81/72/94/567817294.db2.gz LTTFKBSFXHIBIH-CMDGGOBGSA-N -1 0 298.729 3.753 50 0 CHAARM O=C([O-])[C@@H](Sc1cnc2ccccc2n1)c1ccccc1 ZINC000000156731 567820591 /nfs/dbraw/zinc/82/05/91/567820591.db2.gz HCPSYWQSQVFIRP-HNNXBMFYSA-N -1 0 296.351 3.548 50 0 CHAARM Cc1cccc(-n2nc(-c3ccccc3)cc2C(=O)[O-])c1 ZINC000000324132 567825301 /nfs/dbraw/zinc/82/53/01/567825301.db2.gz SYUHSJSPPOEQLT-UHFFFAOYSA-N -1 0 278.311 3.546 50 0 CHAARM O=C(CCc1ccccc1)Nc1cc(Cl)ccc1O ZINC000000354395 567826292 /nfs/dbraw/zinc/82/62/92/567826292.db2.gz AJSKEIYPIXTFDQ-UHFFFAOYSA-N -1 0 275.735 3.617 50 0 CHAARM [O-]c1c(Cl)cc(Br)cc1Br ZINC000000397569 567828907 /nfs/dbraw/zinc/82/89/07/567828907.db2.gz MQSIWVCWTVYFDP-UHFFFAOYSA-N -1 0 286.350 3.571 50 0 CHAARM O=c1cc(C(F)(F)F)[n-]n1-c1ccc(Cl)cc1Cl ZINC000001402484 567837361 /nfs/dbraw/zinc/83/73/61/567837361.db2.gz LOCKIUZKCCFZED-UHFFFAOYSA-N -1 0 297.063 3.648 50 0 CHAARM Cc1ccc(C)c(OCCCC(C)(C)C(=O)[O-])c1 ZINC000001530641 567837720 /nfs/dbraw/zinc/83/77/20/567837720.db2.gz HEMJJKBWTPKOJG-UHFFFAOYSA-N -1 0 250.338 3.573 50 0 fda CHAARM CC(C)(Oc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000001605533 567839389 /nfs/dbraw/zinc/83/93/89/567839389.db2.gz JSVVPNWVEKYXKU-UHFFFAOYSA-N -1 0 256.301 3.596 50 0 CHAARM CC(C)CC[C@H](CC(=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000002159736 567844924 /nfs/dbraw/zinc/84/49/24/567844924.db2.gz CGFDHQZQOJIQDO-CHWSQXEVSA-N -1 0 256.386 3.719 50 0 biogenic CHAARM CC(C)CC[C@H](C(=O)[O-])[C@@H](C)CC(=O)NC1CCCCC1 ZINC000002250488 567845451 /nfs/dbraw/zinc/84/54/51/567845451.db2.gz BLHDTATYKOMPBW-ZFWWWQNUSA-N -1 0 297.439 3.599 50 0 CHAARM CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000002557823 567848052 /nfs/dbraw/zinc/84/80/52/567848052.db2.gz IFFDDRHVXNKUHJ-OAHLLOKOSA-N -1 0 256.301 3.596 50 0 CHAARM O=C([O-])c1ccc(COc2ccc(Cl)cc2)cc1 ZINC000002555905 567848177 /nfs/dbraw/zinc/84/81/77/567848177.db2.gz RCEYSQYPPMHENR-UHFFFAOYSA-N -1 0 262.692 3.617 50 0 CHAARM CCOC(=O)CSC(=S)[N-]c1c(C)cc(C)cc1C ZINC000003131784 567851587 /nfs/dbraw/zinc/85/15/87/567851587.db2.gz WKLNISBMWXDGOV-UHFFFAOYSA-N -1 0 297.445 3.605 50 0 CHAARM CC1(C)[C@H](c2nc3ccccc3[nH]2)CC[C@@]1(C)C(=O)[O-] ZINC000003613697 567853231 /nfs/dbraw/zinc/85/32/31/567853231.db2.gz CBFUDFNIKRRVDP-QFYYESIMSA-N -1 0 272.348 3.557 50 0 CHAARM C[C@H](C[C@H](C)C(=O)Nc1ccccc1C(C)(C)C)C(=O)[O-] ZINC000004127992 567855431 /nfs/dbraw/zinc/85/54/31/567855431.db2.gz WKPLLVBUQQDINJ-NWDGAFQWSA-N -1 0 291.391 3.670 50 0 CHAARM O=C([O-])C1(Cc2nc3ccccc3s2)CCCCC1 ZINC000004218181 567855846 /nfs/dbraw/zinc/85/58/46/567855846.db2.gz VZNVKRYUHBRZPB-UHFFFAOYSA-N -1 0 275.373 3.874 50 0 CHAARM Nc1ccc(Sc2ccc(Cl)cc2)c(C(=O)[O-])c1 ZINC000004624127 567858490 /nfs/dbraw/zinc/85/84/90/567858490.db2.gz GHHLFELHBFQGBJ-UHFFFAOYSA-N -1 0 279.748 3.772 50 0 CHAARM Cc1ccc(C)c(OCc2ccc(C(=O)[O-])s2)c1 ZINC000012357614 567862777 /nfs/dbraw/zinc/86/27/77/567862777.db2.gz QETBHKGQTUYGNY-UHFFFAOYSA-N -1 0 262.330 3.642 50 0 CHAARM O=C([O-])c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000012404825 567863074 /nfs/dbraw/zinc/86/30/74/567863074.db2.gz DPLDBZKECUWDOR-UHFFFAOYSA-N -1 0 274.128 3.815 50 0 CHAARM [O-]c1ccccc1-c1nc2ccccc2c(N2CCCC2)n1 ZINC000013125129 567865156 /nfs/dbraw/zinc/86/51/56/567865156.db2.gz ZBYKVGRBYQGVJG-UHFFFAOYSA-N -1 0 291.354 3.603 50 0 CHAARM O=C([O-])c1cccc(-c2ccc(CNCc3ccco3)o2)c1 ZINC000013686544 567867025 /nfs/dbraw/zinc/86/70/25/567867025.db2.gz NQGROCWFFOVQCZ-UHFFFAOYSA-N -1 0 297.310 3.528 50 0 CHAARM Cc1c(C(=O)[O-])sc2nc(-c3ccccc3)nc(C)c12 ZINC000013692434 567867115 /nfs/dbraw/zinc/86/71/15/567867115.db2.gz KSNLGBYCBJSBBA-UHFFFAOYSA-N -1 0 284.340 3.673 50 0 CHAARM O=C(c1ccc([O-])c(Cl)c1)N1CC[C@H]2CCCC[C@H]2C1 ZINC000032845339 567869386 /nfs/dbraw/zinc/86/93/86/567869386.db2.gz IOHSTBGPPGIDDJ-YPMHNXCESA-N -1 0 293.794 3.698 50 0 CHAARM C[C@@H](CC(=O)[O-])CC(=O)c1ccc(C(C)(C)C)cc1 ZINC000015441773 567870730 /nfs/dbraw/zinc/87/07/30/567870730.db2.gz NPXVVJVOXBGDSA-LLVKDONJSA-N -1 0 262.349 3.668 50 0 CHAARM Cc1ccc(-c2csc3[n-]c(=S)[nH]c(=O)c23)c(C)c1 ZINC000017949247 567876064 /nfs/dbraw/zinc/87/60/64/567876064.db2.gz GELPJKNAFSIFSE-UHFFFAOYSA-N -1 0 288.397 3.931 50 0 CHAARM O=C([O-])c1cc(-c2cccc(-c3cc[nH]n3)c2)ccc1F ZINC000019634236 567877740 /nfs/dbraw/zinc/87/77/40/567877740.db2.gz GQYCAIOBFGPOOS-UHFFFAOYSA-N -1 0 282.274 3.581 50 0 CHAARM O=C([O-])c1ccc(-c2ccc(/C=C\[N+](=O)[O-])o2)cc1Cl ZINC000023411613 567881897 /nfs/dbraw/zinc/88/18/97/567881897.db2.gz NRRRRXCBAVLZAB-WAYWQWQTSA-N -1 0 293.662 3.546 50 0 CHAARM CC(=O)c1ccc([N-]C(=S)Oc2ccccc2)cc1 ZINC000038877838 567891946 /nfs/dbraw/zinc/89/19/46/567891946.db2.gz OYKWXBQCXGDKCT-UHFFFAOYSA-N -1 0 271.341 3.665 50 0 CHAARM O=C([O-])Cc1cccc(OCc2ccccc2Cl)c1 ZINC000048806042 567892668 /nfs/dbraw/zinc/89/26/68/567892668.db2.gz KTKKTWYBSNJANI-UHFFFAOYSA-N -1 0 276.719 3.546 50 0 CHAARM O=c1c(-c2nc3ccccc3s2)coc2cc([O-])ccc21 ZINC000000042149 567905356 /nfs/dbraw/zinc/90/53/56/567905356.db2.gz LUJUQVJLSQUYQW-UHFFFAOYSA-N -1 0 295.319 3.775 50 0 CHAARM CC(C)Nc1c(Cl)c(Cl)nc(Cl)c1C(=O)[O-] ZINC000000054280 567906271 /nfs/dbraw/zinc/90/62/71/567906271.db2.gz BXDYSTUPGGXLFA-UHFFFAOYSA-N -1 0 283.542 3.560 50 0 CHAARM O=c1cc(-c2ccccc2)[n-]n1-c1ccc(Cl)cc1 ZINC000100072216 567912057 /nfs/dbraw/zinc/91/20/57/567912057.db2.gz SMZQPCZYWCVTQT-UHFFFAOYSA-N -1 0 270.719 3.898 50 0 CHAARM O=C(C=C([O-])c1csc2ccccc12)C(F)(F)F ZINC000100473617 567913277 /nfs/dbraw/zinc/91/32/77/567913277.db2.gz NFWFGKBSGANQQK-UHFFFAOYSA-N -1 0 272.247 3.606 50 0 CHAARM Cc1ccc(-c2c[n-]n3c2nc(C(C)(C)C)cc3=O)cc1 ZINC000101029142 567914446 /nfs/dbraw/zinc/91/44/46/567914446.db2.gz RRYRBJKJNBRWRC-UHFFFAOYSA-N -1 0 281.359 3.708 50 0 CHAARM Cn1c2ccccc2c([O-])c(SCc2ccccc2)c1=O ZINC000101085560 567914715 /nfs/dbraw/zinc/91/47/15/567914715.db2.gz PDCFQBAQDFMLPH-UHFFFAOYSA-N -1 0 297.379 3.536 50 0 CHAARM CC(C)C(=O)Nc1ccc(C2(C(=O)[O-])CCCCC2)cc1 ZINC000169676777 567939539 /nfs/dbraw/zinc/93/95/39/567939539.db2.gz PQECQAIIRLUGKK-UHFFFAOYSA-N -1 0 289.375 3.568 50 0 CHAARM CC(C)[C@@H]1CC[C@@H](C)C(=C([O-])c2ccccc2)C1=O ZINC000105082531 567944499 /nfs/dbraw/zinc/94/44/99/567944499.db2.gz VPTKSNILIUZETI-SNPRPXQTSA-N -1 0 258.361 3.757 50 0 CHAARM CCCN(CC1CC1)C(=O)c1ccc2ccccc2c1O ZINC000032893609 567948669 /nfs/dbraw/zinc/94/86/69/567948669.db2.gz LRQBOCFJGRWZPJ-UHFFFAOYSA-N -1 0 283.371 3.808 50 0 CHAARM C[C@@](Cc1ccccc1)(C(=O)[O-])c1ccccc1Cl ZINC000011732574 570220236 /nfs/dbraw/zinc/22/02/36/570220236.db2.gz WGJHNXVSXDHEPO-INIZCTEOSA-N -1 0 274.747 3.925 50 0 CHAARM O=C([O-])CCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000011891558 570221060 /nfs/dbraw/zinc/22/10/60/570221060.db2.gz YOSJHCORPKUCBH-UHFFFAOYSA-N -1 0 260.264 3.635 50 0 CHAARM Cc1ccc(C(=O)[O-])cc1-c1ccnc(C(F)F)c1 ZINC000725273493 570263990 /nfs/dbraw/zinc/26/39/90/570263990.db2.gz GZOYVMISWIYNSU-UHFFFAOYSA-N -1 0 263.243 3.693 50 0 CHAARM C[C@@H](CC(=O)[O-])Nc1ccc(Oc2ccccc2)cc1 ZINC000000386548 570266454 /nfs/dbraw/zinc/26/64/54/570266454.db2.gz XNRPTPPQGKPZRH-LBPRGKRZSA-N -1 0 271.316 3.754 50 0 CHAARM CC(C)(C)[Si](C)(C)n1ccc2cc(C(=O)[O-])cnc21 ZINC000198020141 570380453 /nfs/dbraw/zinc/38/04/53/570380453.db2.gz SYTLWLNLRQFPOM-UHFFFAOYSA-N -1 0 276.412 3.588 50 0 CHAARM Cc1cc(Br)c([O-])c(C(=O)c2ccccc2)c1 ZINC000003096921 1122922497 /nfs/dbraw/zinc/92/24/97/1122922497.db2.gz RRIMPAZSCSSEIK-UHFFFAOYSA-N -1 0 291.144 3.694 50 0 CHAARM O=C([O-])[C@@H](Cc1ccccc1)Cc1ccc(Cl)cc1 ZINC000037653388 1125623105 /nfs/dbraw/zinc/62/31/05/1125623105.db2.gz SVVHATPUNLVMIE-AWEZNQCLSA-N -1 0 274.747 3.826 50 0 CHAARM CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1ccccc1 ZINC000254744339 1127152772 /nfs/dbraw/zinc/15/27/72/1127152772.db2.gz RHSNPGZSZJNSCL-UHFFFAOYSA-N -1 0 288.734 3.874 50 0 CHAARM O=[P@]1([O-])C=C(c2ccccc2)N=C(c2ccccc2)C1 ZINC000003212407 1119774576 /nfs/dbraw/zinc/77/45/76/1119774576.db2.gz ROKNDKSLBMXZNT-UHFFFAOYSA-N -1 0 283.267 3.857 50 0 CHAARM O=c1c(-c2cc3ccccc3o2)coc2cc([O-])ccc12 ZINC000005731732 1124092088 /nfs/dbraw/zinc/09/20/88/1124092088.db2.gz DVRRRGBSEUHPPA-UHFFFAOYSA-N -1 0 278.263 3.912 50 0 CHAARM CC(=CN=Nc1ccc(C(=O)[O-])cc1)Cc1ccccc1 ZINC000254397294 1129692429 /nfs/dbraw/zinc/69/24/29/1129692429.db2.gz VZQBFXBXEWANOG-LWUUGPRASA-N -1 0 280.327 3.886 50 0 CHAARM O=C(C[C@H]1CC[C@@H](C(=O)[O-])CC1)c1ccccc1Cl ZINC000100449336 230391960 /nfs/dbraw/zinc/39/19/60/230391960.db2.gz HCWQYJDKWBKTPF-XYPYZODXSA-N -1 0 280.751 3.804 50 0 CHAARM CCCCCOc1ccc(C(=O)CCCC(=O)[O-])cc1 ZINC000002579990 169813033 /nfs/dbraw/zinc/81/30/33/169813033.db2.gz HNWFSDWVSFUZRX-UHFFFAOYSA-N -1 0 278.348 3.693 50 0 CHAARM Cc1cccnc1-c1nc(-c2ccccc2)c(C(=O)[O-])s1 ZINC000090750040 180035440 /nfs/dbraw/zinc/03/54/40/180035440.db2.gz OCZBNWYYKBUKFN-UHFFFAOYSA-N -1 0 296.351 3.879 50 0 CHAARM Cc1cc(C(F)(F)F)cc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000091695638 180229284 /nfs/dbraw/zinc/22/92/84/180229284.db2.gz ZOMVTKHGOUZLST-UHFFFAOYSA-N -1 0 281.233 3.774 50 0 CHAARM Cc1ccc(CCC(=O)C2=C([O-])c3cc(C)ccc3C2)cc1 ZINC000257173696 190005807 /nfs/dbraw/zinc/00/58/07/190005807.db2.gz VGHPUJPQLJPBEL-GOSISDBHSA-N -1 0 292.378 3.860 50 0 CHAARM C/C=C/c1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC000000185923 169567802 /nfs/dbraw/zinc/56/78/02/169567802.db2.gz BYEQRVQYSXFEQR-GORDUTHDSA-N -1 0 268.312 3.997 50 0 biogenic CHAARM CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000000241846 169584244 /nfs/dbraw/zinc/58/42/44/169584244.db2.gz MQJJOMILOVWRFI-UHFFFAOYSA-N -1 0 297.354 3.935 50 0 CHAARM COc1ccc(C)cc1[C@@H]1C[C@@H](C(=O)[O-])C(C)(C)[C@H]1C ZINC000252515580 131136019 /nfs/dbraw/zinc/13/60/19/131136019.db2.gz LWFAZDJFNGDVSA-SCRDCRAPSA-N -1 0 276.376 3.854 50 0 CHAARM C[C@]12CC3(Br)CC(C(=O)[O-])(C1)C[C@@](C)(C3)C2 ZINC000003176879 169865396 /nfs/dbraw/zinc/86/53/96/169865396.db2.gz DETOHPFJIVGWJO-MPEURRAXSA-N -1 0 287.197 3.585 50 0 CHAARM Cc1c(Cl)c(C)c(Cl)c(OCC(=O)[O-])c1Cl ZINC000004682322 169997936 /nfs/dbraw/zinc/99/79/36/169997936.db2.gz FQHIEEUNXXZOGU-UHFFFAOYSA-N -1 0 283.538 3.727 50 0 CHAARM C[P@@](=O)([O-])O[C@H](c1cccc(Cl)c1)C(F)(F)F ZINC000004951998 170044922 /nfs/dbraw/zinc/04/49/22/170044922.db2.gz PREMATQEFWNABR-MRVPVSSYSA-N -1 0 288.589 3.775 50 0 CHAARM C[C@@H](c1ccccc1)n1c(=O)c2ccccc2[n-]c1=S ZINC000005691707 170130008 /nfs/dbraw/zinc/13/00/08/170130008.db2.gz DWHNTCIHPKYFIN-NSHDSACASA-N -1 0 282.368 3.668 50 0 CHAARM CCCC[C@@H](CC)COC(=O)c1ccc(C(=O)[O-])cc1 ZINC000005821810 170144155 /nfs/dbraw/zinc/14/41/55/170144155.db2.gz HRUJAEJKCNCOGW-GFCCVEGCSA-N -1 0 278.348 3.758 50 0 CHAARM CCc1ccc(NC(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000005877646 170149397 /nfs/dbraw/zinc/14/93/97/170149397.db2.gz CJDZSVQMIGFPAG-UHFFFAOYSA-N -1 0 284.315 3.591 50 0 CHAARM O=C([O-])c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000005996927 170165927 /nfs/dbraw/zinc/16/59/27/170165927.db2.gz WRELJNMKLNHYCU-UHFFFAOYSA-N -1 0 262.692 3.617 50 0 CHAARM CC(C)Cn1c(=O)c2c3c(sc2[n-]c1=S)CCCC3 ZINC000006016172 170168397 /nfs/dbraw/zinc/16/83/97/170168397.db2.gz IJBQHEVYQJLVDU-UHFFFAOYSA-N -1 0 294.445 3.655 50 0 CHAARM Cc1ccccc1OCCn1cc(C(=O)[O-])c2ccccc21 ZINC000006721550 170232553 /nfs/dbraw/zinc/23/25/53/170232553.db2.gz NMEDFKNMEGWABQ-UHFFFAOYSA-N -1 0 295.338 3.727 50 0 CHAARM CCc1ccccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000006919595 170255296 /nfs/dbraw/zinc/25/52/96/170255296.db2.gz OAVNBOOBCYSKIF-UHFFFAOYSA-N -1 0 295.791 3.703 50 0 CHAARM O=C([O-])c1csc(-c2ccc(C(F)(F)F)c(F)c2)n1 ZINC000008730100 170350722 /nfs/dbraw/zinc/35/07/22/170350722.db2.gz WNAGSVOVHQPALY-UHFFFAOYSA-N -1 0 291.225 3.666 50 0 CHAARM O=C([O-])[C@@H](Cc1cccs1)c1ccc(Cl)cc1 ZINC000011588976 170424276 /nfs/dbraw/zinc/42/42/76/170424276.db2.gz JPSLSIJWIHDXBM-LBPRGKRZSA-N -1 0 266.749 3.812 50 0 CHAARM CCOc1ccccc1CNc1cccc(C(=O)[O-])c1C ZINC000016578659 170702289 /nfs/dbraw/zinc/70/22/89/170702289.db2.gz HLQKORHMYQTVGF-UHFFFAOYSA-N -1 0 285.343 3.704 50 0 CHAARM Cc1ccn2c(c1)nc(-c1ccc(C)c(C)c1)c2CC(=O)[O-] ZINC000019623999 170830940 /nfs/dbraw/zinc/83/09/40/170830940.db2.gz YJOBVAQBWFMPRU-UHFFFAOYSA-N -1 0 294.354 3.554 50 0 CHAARM O=C([O-])/C=C/c1ccccc1OCC1CCCCC1 ZINC000020526569 171239860 /nfs/dbraw/zinc/23/98/60/171239860.db2.gz HUYCROUFQFGRMK-ZHACJKMWSA-N -1 0 260.333 3.744 50 0 CHAARM CSc1nc(=O)c2scc(-c3ccc(C)cc3)c2[n-]1 ZINC000021658125 171318004 /nfs/dbraw/zinc/31/80/04/171318004.db2.gz FFIZVYQMGWBILJ-UHFFFAOYSA-N -1 0 288.397 3.682 50 0 CHAARM Cc1noc2nc(-c3ccccc3Cl)cc(C(=O)[O-])c12 ZINC000022221328 171378429 /nfs/dbraw/zinc/37/84/29/171378429.db2.gz QAYKXDMMRJUXMY-UHFFFAOYSA-N -1 0 288.690 3.550 50 0 CHAARM O=C([O-])[C@@H](Sc1ccc(F)c(F)c1)c1ccccc1 ZINC000037374911 173164197 /nfs/dbraw/zinc/16/41/97/173164197.db2.gz QZXBDUATFRTRPZ-ZDUSSCGKSA-N -1 0 280.295 3.883 50 0 CHAARM Cc1nc(C(=O)[O-])c(-c2ccc(Br)cc2)s1 ZINC000041499466 174562326 /nfs/dbraw/zinc/56/23/26/174562326.db2.gz AWYYUQSAFYQARO-UHFFFAOYSA-N -1 0 298.161 3.579 50 0 CHAARM CC1=Nc2c(c(=O)[n-]n2C(C)C)[C@H](C(F)(F)F)S1 ZINC000071285259 176109636 /nfs/dbraw/zinc/10/96/36/176109636.db2.gz KRKVYUVVMDUMPJ-SSDOTTSWSA-N -1 0 279.287 3.570 50 0 CHAARM CO[C@H](C)c1cccc(-c2cc(C)c(C(=O)[O-])c(C)n2)c1 ZINC000534671677 328347884 /nfs/dbraw/zinc/34/78/84/328347884.db2.gz OFZOBGBLPAJJDX-GFCCVEGCSA-N -1 0 285.343 3.771 50 0 CHAARM O=C([O-])CCCOc1ccccc1-c1ccccc1 ZINC000005491172 326815890 /nfs/dbraw/zinc/81/58/90/326815890.db2.gz BAFXEUYQZPRLEL-UHFFFAOYSA-N -1 0 256.301 3.597 50 0 CHAARM CCC[C@@H](C(=O)[O-])[C@H](C)CC(=O)Nc1ccccc1Cl ZINC000001874017 528849223 /nfs/dbraw/zinc/84/92/23/528849223.db2.gz ANUOYPJLLANBOF-GHMZBOCLSA-N -1 0 297.782 3.806 50 0 CHAARM O=C([O-])c1ccc(-c2cc(Cl)cc(Cl)c2)cn1 ZINC000065348626 567898748 /nfs/dbraw/zinc/89/87/48/567898748.db2.gz GIDXNGGKTSSOGM-UHFFFAOYSA-N -1 0 268.099 3.754 50 0 CHAARM CCCCc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000116248157 566849669 /nfs/dbraw/zinc/84/96/69/566849669.db2.gz JCTORKRZDANGCM-UHFFFAOYSA-N -1 0 297.354 3.980 50 0 CHAARM Cc1[n-]n(C(C)(C)C)c(=O)c1-c1ccc(Cl)cc1 ZINC000001400722 566872280 /nfs/dbraw/zinc/87/22/80/566872280.db2.gz SIAPKVFRTVCDLF-UHFFFAOYSA-N -1 0 264.756 3.560 50 0 CHAARM C[C@]1(C(=O)[O-])CC2c3ccccc3C1c1ccccc12 ZINC000034143866 566984391 /nfs/dbraw/zinc/98/43/91/566984391.db2.gz NRUFZVGNVQBKSX-HTWSVDAQSA-N -1 0 264.324 3.758 50 0 CHAARM O=C([O-])c1cc2cc(-c3cccc(Cl)c3)ccc2[nH]c1=O ZINC000170622742 567015675 /nfs/dbraw/zinc/01/56/75/567015675.db2.gz NNIKOAGHROPRQZ-UHFFFAOYSA-N -1 0 299.713 3.547 50 0 CHAARM O=C([O-])c1ccc(-c2ccc(Br)cc2)cc1 ZINC000000168826 567821082 /nfs/dbraw/zinc/82/10/82/567821082.db2.gz UTHDVFIFIMWTJQ-UHFFFAOYSA-N -1 0 277.117 3.814 50 0 biogenic CHAARM O=C([N-]C(=O)c1ccc(Cl)cc1)OC1CCCCC1 ZINC000000108053 567818575 /nfs/dbraw/zinc/81/85/75/567818575.db2.gz IVFJPTPCEMTGPA-UHFFFAOYSA-N -1 0 281.739 3.539 50 0 CHAARM Cc1ccc2c(c1)nc(-c1ccccc1)cc2C(=O)[O-] ZINC000000160869 567820557 /nfs/dbraw/zinc/82/05/57/567820557.db2.gz FTDDWOPSQXABQF-UHFFFAOYSA-N -1 0 263.296 3.908 50 0 CHAARM O=C([O-])CCc1ccc(-c2ccc(Br)cc2)o1 ZINC000000208544 567822046 /nfs/dbraw/zinc/82/20/46/567822046.db2.gz ATIWCCLZIOZFAM-UHFFFAOYSA-N -1 0 295.132 3.726 50 0 CHAARM CCCc1nc2ccc(C)cc2c(C(=O)[O-])c1CC ZINC000000192372 567822131 /nfs/dbraw/zinc/82/21/31/567822131.db2.gz SWCGHEAJPXHTEM-UHFFFAOYSA-N -1 0 257.333 3.756 50 0 CHAARM Cc1cccc(-n2nc(-c3cccs3)cc2C(=O)[O-])c1 ZINC000000324111 567825287 /nfs/dbraw/zinc/82/52/87/567825287.db2.gz UOEUEBNUZJRGPY-UHFFFAOYSA-N -1 0 284.340 3.607 50 0 CHAARM O=C([O-])c1ccccc1C(=O)c1cc(Cl)ccc1Cl ZINC000000437599 567829919 /nfs/dbraw/zinc/82/99/19/567829919.db2.gz QEHSEHBYRXACBO-UHFFFAOYSA-N -1 0 295.121 3.923 50 0 CHAARM Cc1ccc(Oc2ccc(NC(=O)CCC(=O)[O-])cc2)cc1 ZINC000000482174 567832581 /nfs/dbraw/zinc/83/25/81/567832581.db2.gz YEHNUQATGXGTTL-UHFFFAOYSA-N -1 0 299.326 3.591 50 0 CHAARM Cc1ccc2nc(-c3ccco3)cc(C(=O)[O-])c2c1 ZINC000000874157 567834960 /nfs/dbraw/zinc/83/49/60/567834960.db2.gz VYBHSLZEZGOOAC-UHFFFAOYSA-N -1 0 253.257 3.501 50 0 CHAARM S=c1[n-]nc(Cc2cccs2)n1-c1ccccc1 ZINC000000807950 567835009 /nfs/dbraw/zinc/83/50/09/567835009.db2.gz SKHIDXWELBGNBE-UHFFFAOYSA-N -1 0 273.386 3.582 50 0 CHAARM O=C([O-])CCCc1ccc(Oc2ccccc2)cc1 ZINC000001693904 567841612 /nfs/dbraw/zinc/84/16/12/567841612.db2.gz YTPRFJSWHCNPHB-UHFFFAOYSA-N -1 0 256.301 3.886 50 0 CHAARM O=C([O-])CCCCCC(=O)c1cccc(Cl)c1 ZINC000002378671 567845589 /nfs/dbraw/zinc/84/55/89/567845589.db2.gz DSZLYKHKODVGDV-UHFFFAOYSA-N -1 0 254.713 3.558 50 0 CHAARM O=C([O-])CCCCC(=O)c1cccc2ccccc21 ZINC000002378697 567845590 /nfs/dbraw/zinc/84/55/90/567845590.db2.gz FFLVZZUBTNDFHA-UHFFFAOYSA-N -1 0 256.301 3.668 50 0 CHAARM CCCSc1nsc(SCCC)c1C(=O)[O-] ZINC000002497459 567846250 /nfs/dbraw/zinc/84/62/50/567846250.db2.gz GAGWJELWTPQHIA-UHFFFAOYSA-N -1 0 277.436 3.846 50 0 CHAARM CCCCCCOc1ccc([C@H](O)CCC(=O)[O-])cc1 ZINC000002506184 567846401 /nfs/dbraw/zinc/84/64/01/567846401.db2.gz WJEYJYLPLPNYTA-OAHLLOKOSA-N -1 0 280.364 3.544 50 0 CHAARM Cc1ccc2c(C(=O)[O-])cc(-c3cccnc3)nc2c1C ZINC000002521462 567847358 /nfs/dbraw/zinc/84/73/58/567847358.db2.gz OHXJKSZEPRAOTD-UHFFFAOYSA-N -1 0 278.311 3.612 50 0 CHAARM Cc1cc(C)c2nc(-c3cccnc3)cc(C(=O)[O-])c2c1 ZINC000002521460 567847567 /nfs/dbraw/zinc/84/75/67/567847567.db2.gz KIJPOQKRYWRVMI-UHFFFAOYSA-N -1 0 278.311 3.612 50 0 CHAARM CC(C)OC(=O)c1cccc(-c2ccc(C(=O)[O-])cc2)c1 ZINC000002528966 567847727 /nfs/dbraw/zinc/84/77/27/567847727.db2.gz VZZVGCVCDJYOGX-UHFFFAOYSA-N -1 0 284.311 3.617 50 0 CHAARM Cc1nn(-c2ccccc2Cl)c2sc(C(=O)[O-])cc12 ZINC000003186097 567851926 /nfs/dbraw/zinc/85/19/26/567851926.db2.gz MZQAEMKEAJXVHD-UHFFFAOYSA-N -1 0 292.747 3.747 50 0 CHAARM O=C([O-])c1ccccc1NCc1ccccc1Cl ZINC000004636447 567858587 /nfs/dbraw/zinc/85/85/87/567858587.db2.gz ASWGAADDSLXJHP-UHFFFAOYSA-N -1 0 261.708 3.650 50 0 CHAARM Cc1cc(-c2ccccc2)c2c(n1)sc1c2[n-]cnc1=O ZINC000012415036 567863086 /nfs/dbraw/zinc/86/30/86/567863086.db2.gz YZJZGPVDJNPLOM-UHFFFAOYSA-N -1 0 293.351 3.508 50 0 CHAARM CC(C)COc1ccc(Br)cc1/C=C/C(=O)[O-] ZINC000012394640 567863143 /nfs/dbraw/zinc/86/31/43/567863143.db2.gz WZBMXUKRHCCMPP-ZZXKWVIFSA-N -1 0 299.164 3.582 50 0 CHAARM O=C([O-])c1ccnc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000012428856 567863401 /nfs/dbraw/zinc/86/34/01/567863401.db2.gz JPTGLLITTQGEJU-UHFFFAOYSA-N -1 0 283.205 3.591 50 0 CHAARM O=C([O-])C1(c2csc(-c3ccccc3)n2)CCCC1 ZINC000057569393 567881290 /nfs/dbraw/zinc/88/12/90/567881290.db2.gz PSZQGLPSTYMKDJ-UHFFFAOYSA-N -1 0 273.357 3.707 50 0 CHAARM O=C([O-])c1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000093538589 567882673 /nfs/dbraw/zinc/88/26/73/567882673.db2.gz RFUZJOUSSSAGOB-UHFFFAOYSA-N -1 0 273.235 3.527 50 0 CHAARM CC(C)[C@H]1CC[C@@H](C)C(=C([O-])c2ccccc2)C1=O ZINC000037866686 567890160 /nfs/dbraw/zinc/89/01/60/567890160.db2.gz VPTKSNILIUZETI-BPLDGKMQSA-N -1 0 258.361 3.757 50 0 CHAARM O=C([O-])[C@@H](Nc1ccccc1Cl)c1ccccc1F ZINC000037955069 567890247 /nfs/dbraw/zinc/89/02/47/567890247.db2.gz MZPVUMFEEMAPRR-ZDUSSCGKSA-N -1 0 279.698 3.717 50 0 CHAARM Cc1cc(C)c(C)c(C(=O)C[C@H](C)CC(=O)[O-])c1C ZINC000043214268 567892351 /nfs/dbraw/zinc/89/23/51/567892351.db2.gz AFWWWMYRYICETD-VIFPVBQESA-N -1 0 262.349 3.604 50 0 CHAARM CC(C)c1ccsc1C(=O)NCCCCCCC(=O)[O-] ZINC000095425207 567894302 /nfs/dbraw/zinc/89/43/02/567894302.db2.gz YFHKBDVAJGAYBH-UHFFFAOYSA-N -1 0 297.420 3.636 50 0 CHAARM O=Cc1ccccc1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000065349701 567898671 /nfs/dbraw/zinc/89/86/71/567898671.db2.gz XPLXDQAOUPATME-UHFFFAOYSA-N -1 0 260.676 3.518 50 0 CHAARM COc1ccc(-c2cccc(C(=O)[O-])c2C)c(C)c1 ZINC000065350716 567898701 /nfs/dbraw/zinc/89/87/01/567898701.db2.gz KKZFCRYYCBTJAE-UHFFFAOYSA-N -1 0 256.301 3.677 50 0 CHAARM O=C([O-])c1cccc(-c2ccc(Cl)cc2Cl)n1 ZINC000065348584 567898780 /nfs/dbraw/zinc/89/87/80/567898780.db2.gz APXQBASWXZPQAJ-UHFFFAOYSA-N -1 0 268.099 3.754 50 0 CHAARM Cn1c(=O)c(-c2ccc(Cl)cc2)c([O-])c2ccccc21 ZINC000101085607 567914615 /nfs/dbraw/zinc/91/46/15/567914615.db2.gz XGRDYBRIIFXXBB-UHFFFAOYSA-N -1 0 285.730 3.565 50 0 CHAARM Cn1c2ccccc2c([O-])c(SC2CCCCC2)c1=O ZINC000101085614 567914700 /nfs/dbraw/zinc/91/47/00/567914700.db2.gz TZUAGWWYIXTFND-UHFFFAOYSA-N -1 0 289.400 3.669 50 0 CHAARM CC(C)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)[O-] ZINC000072233675 567922510 /nfs/dbraw/zinc/92/25/10/567922510.db2.gz QLTYCOLKLOGRSB-QWHCGFSZSA-N -1 0 299.411 3.523 50 0 CHAARM CC(C)(C)c1nccc(-c2ccc(Cl)c(C(=O)[O-])c2)n1 ZINC000072233631 567922811 /nfs/dbraw/zinc/92/28/11/567922811.db2.gz ZDNLZHUJKKGMAS-UHFFFAOYSA-N -1 0 290.750 3.793 50 0 CHAARM Cc1ccc(C(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])cc1 ZINC000000193410 567924910 /nfs/dbraw/zinc/92/49/10/567924910.db2.gz LSCGIYLABOLXML-HUUCEWRRSA-N -1 0 272.344 3.625 50 0 CHAARM CC(C)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000000200493 567935481 /nfs/dbraw/zinc/93/54/81/567935481.db2.gz WASRRXYMRFYFOG-HUUCEWRRSA-N -1 0 289.375 3.640 50 0 CHAARM O=C(NC1CCCCCCC1)c1c([O-])cc(F)cc1F ZINC000049446514 567946867 /nfs/dbraw/zinc/94/68/67/567946867.db2.gz QYTUCALMHCGHCO-UHFFFAOYSA-N -1 0 283.318 3.513 50 0 CHAARM CCCCc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000002184229 570218128 /nfs/dbraw/zinc/21/81/28/570218128.db2.gz BCUZEEQRFLSHRK-UHFFFAOYSA-N -1 0 297.354 3.980 50 0 CHAARM O=C([O-])/C=C/c1ccc(Oc2ccc(F)cc2)cc1 ZINC000011894928 570221131 /nfs/dbraw/zinc/22/11/31/570221131.db2.gz WESGDCQCHIRDMG-XCVCLJGOSA-N -1 0 258.248 3.716 50 0 CHAARM O=C([O-])C[C@H](c1ccccc1)[C@@H]1CCc2ccccc2C1=O ZINC000196395060 570303827 /nfs/dbraw/zinc/30/38/27/570303827.db2.gz FNJYHUMCHFPHNB-DLBZAZTESA-N -1 0 294.350 3.690 50 0 CHAARM CC(C)(C)OC(=O)CCCCCCCCC(=O)[O-] ZINC000199560572 570380372 /nfs/dbraw/zinc/38/03/72/570380372.db2.gz FRIYHISQFBWFCN-UHFFFAOYSA-N -1 0 258.358 3.534 50 0 CHAARM COc1ccc(-c2c(C)[n-]n3c2nc(C(C)C)cc3=O)cc1 ZINC000100163330 1119025998 /nfs/dbraw/zinc/02/59/98/1119025998.db2.gz HGBRZDLSZJICQO-UHFFFAOYSA-N -1 0 297.358 3.542 50 0 CHAARM CCCCC[C@H](C)NC(=O)[C@H]1CC(C)=C(C)C[C@H]1C(=O)[O-] ZINC000005826109 1120880450 /nfs/dbraw/zinc/88/04/50/1120880450.db2.gz ZKMOMRBJRDQHJW-SOUVJXGZSA-N -1 0 295.423 3.519 50 0 CHAARM O=C(c1c([O-])c(Cl)cc(Cl)c1Cl)C1CC1 ZINC000052068511 1120900392 /nfs/dbraw/zinc/90/03/92/1120900392.db2.gz LIIJPWCAAVYEED-UHFFFAOYSA-N -1 0 265.523 3.945 50 0 CHAARM CCOc1cccc(/C=C\C(=O)[O-])c1OC1CCCCC1 ZINC000095911095 185031263 /nfs/dbraw/zinc/03/12/63/185031263.db2.gz COUZHCLJVOYYMR-QXMHVHEDSA-N -1 0 290.359 3.895 50 0 CHAARM O=C([O-])c1ccc(/C=C\C(=O)c2ccccc2Cl)cc1 ZINC000096766279 185112433 /nfs/dbraw/zinc/11/24/33/185112433.db2.gz AZAFTCVEBQSLDE-YFHOEESVSA-N -1 0 286.714 3.934 50 0 CHAARM Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)[O-] ZINC000002650141 169818282 /nfs/dbraw/zinc/81/82/82/169818282.db2.gz CLQRMTMJJUSGRK-UHFFFAOYSA-N -1 0 277.323 3.837 50 0 CHAARM O=C([O-])CCCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000000156156 169556882 /nfs/dbraw/zinc/55/68/82/169556882.db2.gz DYIAFTOTMYWLSZ-UHFFFAOYSA-N -1 0 299.326 3.672 50 0 CHAARM S=c1s[n-]nc1-c1ccc(Cl)cc1Cl ZINC000000168605 169561670 /nfs/dbraw/zinc/56/16/70/169561670.db2.gz HWVLADOPEXDISC-UHFFFAOYSA-N -1 0 263.174 3.801 50 0 CHAARM CC(C)c1ccc(C(=O)c2ccccc2C(=O)[O-])cc1 ZINC000000247378 169586236 /nfs/dbraw/zinc/58/62/36/169586236.db2.gz NNTBAICEOKELNU-UHFFFAOYSA-N -1 0 268.312 3.739 50 0 CHAARM Nc1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-] ZINC000000478193 169651416 /nfs/dbraw/zinc/65/14/16/169651416.db2.gz CJKYKXAESHUOOV-UHFFFAOYSA-N -1 0 274.918 3.581 50 0 CHAARM O=C([O-])c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004017431 256872228 /nfs/dbraw/zinc/87/22/28/256872228.db2.gz GNPLDQXYYACRDQ-UHFFFAOYSA-N -1 0 256.345 3.853 50 0 CHAARM CC(C)(C)c1ccc(-c2ccc(C(=O)[O-])nc2)cc1 ZINC000041325414 256875929 /nfs/dbraw/zinc/87/59/29/256875929.db2.gz BJFLUGXFKLHZGT-UHFFFAOYSA-N -1 0 255.317 3.744 50 0 CHAARM O=C([O-])c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000002528986 169803191 /nfs/dbraw/zinc/80/31/91/169803191.db2.gz YZWGBLHLQLDTMZ-UHFFFAOYSA-N -1 0 282.217 3.950 50 0 CHAARM O=C([O-])c1cc(-c2ccc(/C=C/[N+](=O)[O-])o2)ccc1Cl ZINC000002821430 169834100 /nfs/dbraw/zinc/83/41/00/169834100.db2.gz RVIQQHUTESHFRT-AATRIKPKSA-N -1 0 293.662 3.546 50 0 CHAARM O=C([O-])CC1(Cc2nc3ccccc3s2)CCCC1 ZINC000003440452 169888312 /nfs/dbraw/zinc/88/83/12/169888312.db2.gz TVRPZMALZMJHMK-UHFFFAOYSA-N -1 0 275.373 3.874 50 0 CHAARM O=C([O-])c1ccc(SCc2cnc(Cl)s2)cc1 ZINC000004489499 169972422 /nfs/dbraw/zinc/97/24/22/169972422.db2.gz GHMOISZEIKTQDE-UHFFFAOYSA-N -1 0 285.777 3.787 50 0 CHAARM CCCCOC(=O)N=c1[n-]nc(-c2cccs2)s1 ZINC000004694973 170000292 /nfs/dbraw/zinc/00/02/92/170000292.db2.gz YDICOPXVALNZLU-UHFFFAOYSA-N -1 0 283.378 3.615 50 0 CHAARM Cc1ccc(C)c(NC(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000004760463 170013456 /nfs/dbraw/zinc/01/34/56/170013456.db2.gz ZJQIIUFAXLCIPA-UHFFFAOYSA-N -1 0 284.315 3.646 50 0 CHAARM CC[C@@H]1CCC2=Nc3ccccc3[C@H](C(=O)[O-])[C@@H]2C1 ZINC000005663831 170125463 /nfs/dbraw/zinc/12/54/63/170125463.db2.gz RUOLINNBZYUUEU-HCKVZZMMSA-N -1 0 257.333 3.767 50 0 CHAARM O=c1c(-c2ccc(Cl)cc2)coc2cc([O-])cc(O)c12 ZINC000005731170 170134344 /nfs/dbraw/zinc/13/43/44/170134344.db2.gz CEYJHCLWEJDJFS-UHFFFAOYSA-N -1 0 288.686 3.525 50 0 biogenic CHAARM Cc1c([O-])ccc2c(=O)c(Oc3ccccc3)coc12 ZINC000005730088 170134394 /nfs/dbraw/zinc/13/43/94/170134394.db2.gz LKXDFZSJWKPGBW-UHFFFAOYSA-N -1 0 268.268 3.599 50 0 biogenic CHAARM O=C([O-])c1cc(Cl)ccc1OCc1ccccc1 ZINC000005737003 170135606 /nfs/dbraw/zinc/13/56/06/170135606.db2.gz ULFLACGIFMTNGR-UHFFFAOYSA-N -1 0 262.692 3.617 50 0 CHAARM Cn1cc([C@H](CC(=O)[O-])c2ccccc2)c2ccccc21 ZINC000006268854 170186993 /nfs/dbraw/zinc/18/69/93/170186993.db2.gz XVWRQAZBQVTVJA-OAHLLOKOSA-N -1 0 279.339 3.785 50 0 CHAARM O=C([O-])c1cc2c(cc(Br)c3ccccc23)[nH]1 ZINC000006658249 170223389 /nfs/dbraw/zinc/22/33/89/170223389.db2.gz DMWBHGGDWOTVLY-UHFFFAOYSA-N -1 0 290.116 3.782 50 0 CHAARM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000007381983 170281428 /nfs/dbraw/zinc/28/14/28/170281428.db2.gz IYOMFNPXJKHFDK-UHFFFAOYSA-N -1 0 299.754 3.588 50 0 CHAARM CSc1cccc([N-]S(=O)(=O)c2ccc(C)s2)c1 ZINC000008746752 170353699 /nfs/dbraw/zinc/35/36/99/170353699.db2.gz ZNDOUWHGFKSEMG-UHFFFAOYSA-N -1 0 299.442 3.579 50 0 CHAARM Cc1cc(Cl)ccc1NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000008922250 170359142 /nfs/dbraw/zinc/35/91/42/170359142.db2.gz ZUIOCAJOGRMIMM-UHFFFAOYSA-N -1 0 295.766 3.622 50 0 CHAARM Cc1cc(-c2cc(C(=O)[O-])c3cnn(C(C)C)c3n2)c(C)o1 ZINC000009428865 170376523 /nfs/dbraw/zinc/37/65/23/170376523.db2.gz RRQFGCODIWNTQW-UHFFFAOYSA-N -1 0 299.330 3.587 50 0 CHAARM O=C([O-])Cc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000020391132 171179716 /nfs/dbraw/zinc/17/97/16/171179716.db2.gz XYWCXPKPSPHSAA-UHFFFAOYSA-N -1 0 262.692 3.759 50 0 CHAARM Cc1ccc(F)cc1Nc1ncc(C(=O)[O-])cc1Cl ZINC000021022339 171290786 /nfs/dbraw/zinc/29/07/86/171290786.db2.gz LKGFSRBHSJEVSZ-UHFFFAOYSA-N -1 0 280.686 3.624 50 0 CHAARM O=C([O-])c1ccc(/C=C2\C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000033406667 171790505 /nfs/dbraw/zinc/79/05/05/171790505.db2.gz ZWBDYHJROOWSPZ-QPEQYQDCSA-N -1 0 299.713 3.531 50 0 CHAARM O=C([O-])[C@@H]1CCC[C@H](CC(=O)c2cccc(Cl)c2)C1 ZINC000043879456 175116157 /nfs/dbraw/zinc/11/61/57/175116157.db2.gz DFBMXSVOJDRHTE-CMPLNLGQSA-N -1 0 280.751 3.804 50 0 CHAARM Cc1cc(OCC(=O)[O-])c(C(C)C)cc1-c1ccc(N)cc1 ZINC000534578910 328311097 /nfs/dbraw/zinc/31/10/97/328311097.db2.gz KOEGUUVBIJNNIN-UHFFFAOYSA-N -1 0 299.370 3.831 50 0 CHAARM O=C([O-])Cc1nc(C(F)(F)F)ccc1-c1cccc(F)c1 ZINC000047206732 566889588 /nfs/dbraw/zinc/88/95/88/566889588.db2.gz JEENJIYVCQCJHM-UHFFFAOYSA-N -1 0 299.223 3.534 50 0 CHAARM O=C([O-])c1c2c(nc3ccccc31)Cc1ccccc1-2 ZINC000001754463 566962538 /nfs/dbraw/zinc/96/25/38/566962538.db2.gz CQHFXANZULNUMS-UHFFFAOYSA-N -1 0 261.280 3.504 50 0 CHAARM C[C@@H]1CCC[C@@H](n2c(=O)c3ccccc3[n-]c2=S)[C@H]1C ZINC000238850824 566965970 /nfs/dbraw/zinc/96/59/70/566965970.db2.gz CVVSRXDHFVSJEK-UHIISALHSA-N -1 0 288.416 3.682 50 0 CHAARM Cc1cc(C)c([C@@H](C(=O)[O-])c2ccccc2)c(C)c1 ZINC000000340405 567044175 /nfs/dbraw/zinc/04/41/75/567044175.db2.gz RYZVPLVIQGWEIJ-INIZCTEOSA-N -1 0 254.329 3.828 50 0 CHAARM Cc1cccc(CN(CCC(=O)[O-])c2ccccc2C)c1 ZINC000037595304 567066964 /nfs/dbraw/zinc/06/69/64/567066964.db2.gz FELRQJHJVCLXGO-UHFFFAOYSA-N -1 0 283.371 3.785 50 0 CHAARM COc1ccccc1C([O-])=C1C(=O)[C@@H](C(C)C)CC[C@@H]1C ZINC000252628689 567070039 /nfs/dbraw/zinc/07/00/39/567070039.db2.gz SVOQHHZZAAXCHG-ZENOOKHLSA-N -1 0 288.387 3.765 50 0 CHAARM CC(C)c1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000013094985 567115769 /nfs/dbraw/zinc/11/57/69/567115769.db2.gz DYCOPCLDRBDTHU-UHFFFAOYSA-N -1 0 283.327 3.761 50 0 CHAARM O=c1[n-]c(-c2ccc(Cl)cc2)nnc1-c1ccccc1 ZINC000096562383 567142554 /nfs/dbraw/zinc/14/25/54/567142554.db2.gz HVRNDBVJRDDIEU-UHFFFAOYSA-N -1 0 283.718 3.565 50 0 CHAARM CC[C@@](C)(CC(=O)[O-])CC(=O)Nc1ccc(Cl)cc1 ZINC000000101081 567818141 /nfs/dbraw/zinc/81/81/41/567818141.db2.gz UBHQHOZRPUWLAC-CQSZACIVSA-N -1 0 283.755 3.560 50 0 CHAARM O=C([O-])/C=C/c1ccccc1Oc1ccc(F)c(F)c1 ZINC000000167996 567821180 /nfs/dbraw/zinc/82/11/80/567821180.db2.gz FOCNEQJOYUQVSH-VMPITWQZSA-N -1 0 276.238 3.855 50 0 CHAARM Cc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1Cl ZINC000000191328 567821723 /nfs/dbraw/zinc/82/17/23/567821723.db2.gz KOYNWVOKPNESLL-UHFFFAOYSA-N -1 0 289.718 3.599 50 0 CHAARM CCCc1ccc(-c2ccc(/C=C/C(=O)[O-])cc2)nc1 ZINC000000228885 567822569 /nfs/dbraw/zinc/82/25/69/567822569.db2.gz JJIZGFRMYDAVKA-YRNVUSSQSA-N -1 0 267.328 3.799 50 0 CHAARM C[C@H](c1ccccc1)[C@H](CC(=O)Nc1ccccc1)C(=O)[O-] ZINC000000297072 567824262 /nfs/dbraw/zinc/82/42/62/567824262.db2.gz BDMDXLRFUPFFHD-CJNGLKHVSA-N -1 0 297.354 3.520 50 0 CHAARM Cc1ccc2nc(-c3cccs3)cc(C(=O)[O-])c2c1 ZINC000000323654 567825265 /nfs/dbraw/zinc/82/52/65/567825265.db2.gz YZQFSFCRQKKUEN-UHFFFAOYSA-N -1 0 269.325 3.970 50 0 CHAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1cccc2ccccc21 ZINC000000341410 567826018 /nfs/dbraw/zinc/82/60/18/567826018.db2.gz IJHXQOHCEWIYQS-HUUCEWRRSA-N -1 0 297.354 3.669 50 0 CHAARM O=C([O-])c1ccc(OCc2ccccc2)cc1Cl ZINC000000389313 567828404 /nfs/dbraw/zinc/82/84/04/567828404.db2.gz NLSYAGPPJSQRGM-UHFFFAOYSA-N -1 0 262.692 3.617 50 0 CHAARM O=C([O-])c1c(Cl)c(Cl)cc(Cl)c1Cl ZINC000000400053 567829407 /nfs/dbraw/zinc/82/94/07/567829407.db2.gz UYGUFXUBSNDUFA-UHFFFAOYSA-N -1 0 259.903 3.998 50 0 CHAARM CCOc1ccccc1-c1cc(C(=O)[O-])c2ccccc2n1 ZINC000000442742 567830389 /nfs/dbraw/zinc/83/03/89/567830389.db2.gz HKAYEAHVDMGFMR-UHFFFAOYSA-N -1 0 293.322 3.999 50 0 CHAARM Cc1cc2c(cc1C)CN(c1cccc(C(=O)[O-])c1)C2 ZINC000000559716 567833799 /nfs/dbraw/zinc/83/37/99/567833799.db2.gz FAGPZTWSFDKCIQ-UHFFFAOYSA-N -1 0 267.328 3.522 50 0 CHAARM O=C([O-])CCCCCCC(=O)c1ccc(F)c(F)c1 ZINC000002378678 567845560 /nfs/dbraw/zinc/84/55/60/567845560.db2.gz DCLLJTZZSCJZHH-UHFFFAOYSA-N -1 0 270.275 3.573 50 0 CHAARM Cc1cc(C)cc(C(=O)CCCCCCC(=O)[O-])c1 ZINC000002378656 567845669 /nfs/dbraw/zinc/84/56/69/567845669.db2.gz YRXXUHBSXOXXNI-UHFFFAOYSA-N -1 0 262.349 3.911 50 0 CHAARM O=C([O-])c1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000002563893 567848200 /nfs/dbraw/zinc/84/82/00/567848200.db2.gz NFDUVSSDGPDOLR-UHFFFAOYSA-N -1 0 273.235 3.527 50 0 CHAARM O=C([O-])CSC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000002641065 567848865 /nfs/dbraw/zinc/84/88/65/567848865.db2.gz AKBHXBCMSOZXPR-UHFFFAOYSA-N -1 0 294.322 3.872 50 0 CHAARM CC[C@@](C)(CC(=O)[O-])Cc1nc2ccccc2s1 ZINC000004206697 567855837 /nfs/dbraw/zinc/85/58/37/567855837.db2.gz GIBIKRFPDXOAHN-CQSZACIVSA-N -1 0 263.362 3.730 50 0 CHAARM O=C([O-])c1cccnc1Sc1cccc(C(F)(F)F)c1 ZINC000004218313 567856006 /nfs/dbraw/zinc/85/60/06/567856006.db2.gz JIRPHTGRJDLTME-UHFFFAOYSA-N -1 0 299.273 3.950 50 0 CHAARM CCCCCCOc1ccc([C@@H](O)CCC(=O)[O-])cc1 ZINC000004517787 567857873 /nfs/dbraw/zinc/85/78/73/567857873.db2.gz WJEYJYLPLPNYTA-HNNXBMFYSA-N -1 0 280.364 3.544 50 0 CHAARM COc1ccc(C=Nc2ccc(/C=C\C(=O)[O-])cc2)cc1 ZINC000004578152 567858122 /nfs/dbraw/zinc/85/81/22/567858122.db2.gz UIELBEHBZKVMEI-MGGYQKONSA-N -1 0 281.311 3.544 50 0 CHAARM O=C([O-])/C=C/c1ccc(-c2ccc(OC(F)(F)F)cc2)o1 ZINC000044214408 567859532 /nfs/dbraw/zinc/85/95/32/567859532.db2.gz RFOZHBFXSQPSEN-SOFGYWHQSA-N -1 0 298.216 3.943 50 0 CHAARM O=C([O-])c1c2ccccc2[nH]c1-c1ccc(F)cc1 ZINC000012404899 567863126 /nfs/dbraw/zinc/86/31/26/567863126.db2.gz BQHAIIFRVZNKAW-UHFFFAOYSA-N -1 0 255.248 3.672 50 0 CHAARM Cc1cc(Oc2ccccc2)nc(-c2ccccc2[O-])n1 ZINC000013127888 567865048 /nfs/dbraw/zinc/86/50/48/567865048.db2.gz SPUHWLNYCWEBKZ-UHFFFAOYSA-N -1 0 278.311 3.950 50 0 CHAARM O=C([O-])c1cccc(-c2ccc(Cl)c(F)c2)c1 ZINC000016947587 567874335 /nfs/dbraw/zinc/87/43/35/567874335.db2.gz XUVRJVFOZGVLCJ-UHFFFAOYSA-N -1 0 250.656 3.844 50 0 CHAARM CC(C)n1c(=O)c2c3c(sc2[n-]c1=S)C[C@@H](C)CC3 ZINC000017023616 567874590 /nfs/dbraw/zinc/87/45/90/567874590.db2.gz RODOWUVBULQFAY-QMMMGPOBSA-N -1 0 294.445 3.826 50 0 CHAARM O=C([O-])[C@H](Sc1ccc(F)cc1)c1ccccc1 ZINC000019412414 567877982 /nfs/dbraw/zinc/87/79/82/567877982.db2.gz XJOZUMXBUUGLBO-CYBMUJFWSA-N -1 0 262.305 3.744 50 0 CHAARM O=C([O-])c1ccccc1/C(F)=C(\F)C(F)(F)F ZINC000019735237 567878595 /nfs/dbraw/zinc/87/85/95/567878595.db2.gz CUOKTXDAPACOKH-BQYQJAHWSA-N -1 0 252.138 3.555 50 0 CHAARM O=C([O-])[C@H]1CC=CC[C@@H]1c1cccc2ccccc21 ZINC000004031378 567888436 /nfs/dbraw/zinc/88/84/36/567888436.db2.gz WLIGHINCHMOBJZ-CVEARBPZSA-N -1 0 252.313 3.974 50 0 CHAARM Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC000051075509 567893826 /nfs/dbraw/zinc/89/38/26/567893826.db2.gz ULCCLFXRXPQHJE-UHFFFAOYSA-N -1 0 272.087 3.655 50 0 CHAARM CSc1nc(=O)c2scc(-c3ccc(F)cc3)c2[n-]1 ZINC000062591984 567897370 /nfs/dbraw/zinc/89/73/70/567897370.db2.gz YHIKCPLXOOGFOU-UHFFFAOYSA-N -1 0 292.360 3.925 50 0 CHAARM O=C([O-])c1sc(-c2ccccc2)nc1-c1ccccn1 ZINC000062490230 567897572 /nfs/dbraw/zinc/89/75/72/567897572.db2.gz PGAOFHQZZZCXMI-UHFFFAOYSA-N -1 0 282.324 3.570 50 0 CHAARM O=C([O-])/C=C/c1nc(-c2ccccc2Cl)n2ccccc12 ZINC000000065131 567906517 /nfs/dbraw/zinc/90/65/17/567906517.db2.gz FRBGLBQNBZMABG-CMDGGOBGSA-N -1 0 298.729 3.753 50 0 CHAARM CC[C@H](C)n1cc(C=C2NC(=O)[N-]C2=O)c2ccccc21 ZINC000033286442 567906757 /nfs/dbraw/zinc/90/67/57/567906757.db2.gz SXTTULFGFHDIBZ-AAIQCTMTSA-N -1 0 283.331 3.633 50 0 CHAARM CCCc1ccc(OCc2ccc(C(=O)[O-])o2)c(OC)c1 ZINC000000133408 567923697 /nfs/dbraw/zinc/92/36/97/567923697.db2.gz WUEXFFLXCQDFAA-UHFFFAOYSA-N -1 0 290.315 3.518 50 0 CHAARM Cc1ccc(NC(=O)Nc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000000397439 567936128 /nfs/dbraw/zinc/93/61/28/567936128.db2.gz WDGBODFOVCJUCA-UHFFFAOYSA-N -1 0 284.315 3.646 50 0 CHAARM O=C([O-])[C@H](Cc1cccs1)c1ccc(Cl)cc1 ZINC000011588977 570219859 /nfs/dbraw/zinc/21/98/59/570219859.db2.gz JPSLSIJWIHDXBM-GFCCVEGCSA-N -1 0 266.749 3.812 50 0 CHAARM C[C@](Cc1ccccc1)(C(=O)[O-])c1ccccc1Cl ZINC000011732575 570220219 /nfs/dbraw/zinc/22/02/19/570220219.db2.gz WGJHNXVSXDHEPO-MRXNPFEDSA-N -1 0 274.747 3.925 50 0 CHAARM Cc1ccc(-n2nc(-c3ccc(F)cc3)cc2C(=O)[O-])cc1 ZINC000025760910 570231363 /nfs/dbraw/zinc/23/13/63/570231363.db2.gz KPVMIESWDPRMGV-UHFFFAOYSA-N -1 0 296.301 3.685 50 0 CHAARM O=C([O-])c1ccc(-c2cccc(F)c2)cc1Cl ZINC000047207046 570237392 /nfs/dbraw/zinc/23/73/92/570237392.db2.gz RFGKDSXGCSFKAP-UHFFFAOYSA-N -1 0 250.656 3.844 50 0 CHAARM CCCCC[C@H](C)NC(=O)[C@H]1CC(C)=C(C)C[C@@H]1C(=O)[O-] ZINC000004651532 570246870 /nfs/dbraw/zinc/24/68/70/570246870.db2.gz ZKMOMRBJRDQHJW-KKUMJFAQSA-N -1 0 295.423 3.519 50 0 CHAARM CN(C)c1ccc(-c2cc(C(=O)[O-])c3ccccc3n2)cc1 ZINC000001621982 570348846 /nfs/dbraw/zinc/34/88/46/570348846.db2.gz PYNZQZBFWIHYCQ-UHFFFAOYSA-N -1 0 292.338 3.666 50 0 CHAARM O=C([O-])c1ccccc1-n1cc(-c2ccccc2Cl)cn1 ZINC000094576855 570357858 /nfs/dbraw/zinc/35/78/58/570357858.db2.gz ZELQMCNBVYDFNI-UHFFFAOYSA-N -1 0 298.729 3.891 50 0 CHAARM Cc1ccc(C(=O)[C@@H]2C[C@@H](C(=O)[O-])C(C)(C)[C@H]2C)c(C)c1 ZINC000253578808 570361285 /nfs/dbraw/zinc/36/12/85/570361285.db2.gz YUQKJNKZHLWJHK-CFVMTHIKSA-N -1 0 288.387 3.869 50 0 CHAARM Cc1ccc(NC(=O)CC2(CC(=O)[O-])CCCC2)c(C)c1 ZINC000000525529 956862995 /nfs/dbraw/zinc/86/29/95/956862995.db2.gz PSSAKPVVASHYAK-UHFFFAOYSA-N -1 0 289.375 3.667 50 0 CHAARM O=C([O-])c1nc2ccccc2cc1OCc1ccccc1 ZINC000014508056 1119025778 /nfs/dbraw/zinc/02/57/78/1119025778.db2.gz BJWCXGSEOMOVMN-UHFFFAOYSA-N -1 0 279.295 3.512 50 0 CHAARM Cc1nc2c(nc(-c3ccc(C(C)C)cc3)cc2C(=O)[O-])[nH]1 ZINC000011694725 1119142149 /nfs/dbraw/zinc/14/21/49/1119142149.db2.gz RPRWAHBJKDLQRT-UHFFFAOYSA-N -1 0 295.342 3.755 50 0 CHAARM S=C1[N-][C@@H](c2ccccc2)N[C@@H](c2ccccc2)S1 ZINC000025667004 1120775525 /nfs/dbraw/zinc/77/55/25/1120775525.db2.gz PPCOHTPXMURTDH-UONOGXRCSA-N -1 0 286.425 3.595 50 0 in-vitro CHAARM O=C([O-])c1ccc2nc(-c3ccccc3)sc2c1 ZINC000003656650 1125433926 /nfs/dbraw/zinc/43/39/26/1125433926.db2.gz SUBZYLZMYNBQLW-UHFFFAOYSA-N -1 0 255.298 3.662 50 0 CHAARM Cc1cc(C)c2oc(-c3ccccc3C(=O)[O-])cc(=O)c2c1 ZINC000001788341 230367177 /nfs/dbraw/zinc/36/71/77/230367177.db2.gz VHPPWHOLBHVFAP-UHFFFAOYSA-N -1 0 294.306 3.775 50 0 biogenic,in-vitro CHAARM O=C([O-])c1ccc(N=NC2CC(c3ccc(F)cc3)C2)cc1 ZINC000095965665 185045434 /nfs/dbraw/zinc/04/54/34/185045434.db2.gz GMFJYVBIDYQLPH-UHFFFAOYSA-N -1 0 298.317 3.869 50 0 CHAARM O=C([O-])/C=C/c1cc(OC(F)F)c(Cl)cc1Cl ZINC000263624173 190071123 /nfs/dbraw/zinc/07/11/23/190071123.db2.gz OBXYQTBWCADYPU-OWOJBTEDSA-N -1 0 283.057 3.693 50 0 CHAARM O=c1oc2cc([O-])ccc2cc1-c1cccc(Cl)c1 ZINC000000058095 169521135 /nfs/dbraw/zinc/52/11/35/169521135.db2.gz NRSYNYFTCOANQY-UHFFFAOYSA-N -1 0 272.687 3.819 50 0 biogenic,in-vitro CHAARM Cc1nc2ccc(OCc3ccccc3)cc2cc1C(=O)[O-] ZINC000000380734 169623981 /nfs/dbraw/zinc/62/39/81/169623981.db2.gz GEIHNZUBOOHMDJ-UHFFFAOYSA-N -1 0 293.322 3.820 50 0 CHAARM O=C([O-])c1cc(-c2ccccc2)cc(Br)c1O ZINC000001701218 169745451 /nfs/dbraw/zinc/74/54/51/169745451.db2.gz XVZSXNULHSIRCQ-UHFFFAOYSA-N -1 0 293.116 3.520 50 0 in-vivo CHAARM O=C([O-])/C=C/c1cc(C(F)(F)F)ccc1C(F)(F)F ZINC000002569906 169811054 /nfs/dbraw/zinc/81/10/54/169811054.db2.gz MSTZFZJTSGSPPB-DAFODLJHSA-N -1 0 284.155 3.822 50 0 CHAARM CC(C)Oc1ccc([C@@H](CC(=O)[O-])C(C)C)cc1 ZINC000005048161 170060638 /nfs/dbraw/zinc/06/06/38/170060638.db2.gz OWEMFIYUYVNSFA-AWEZNQCLSA-N -1 0 250.338 3.688 50 0 CHAARM O=C([O-])c1ccccc1SCc1ccc(F)cc1 ZINC000005069718 170063399 /nfs/dbraw/zinc/06/33/99/170063399.db2.gz QIXJHCMEEJJMFH-UHFFFAOYSA-N -1 0 262.305 3.816 50 0 CHAARM COc1ccccc1-c1cc(C(=O)[O-])c2cc(C)ccc2n1 ZINC000006279269 170188229 /nfs/dbraw/zinc/18/82/29/170188229.db2.gz CTAVRPPUWSMDEN-UHFFFAOYSA-N -1 0 293.322 3.917 50 0 CHAARM Cn1c2ccccc2nc1[C@@H]1CC[C@](C)(C(=O)[O-])C1(C)C ZINC000006388297 170197151 /nfs/dbraw/zinc/19/71/51/170197151.db2.gz ZDWSEERXYLZOGE-APPDUMDISA-N -1 0 286.375 3.568 50 0 CHAARM Cc1cccc(COc2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC000006450627 170201910 /nfs/dbraw/zinc/20/19/10/170201910.db2.gz DJDVQZCOIJLICF-JXMROGBWSA-N -1 0 268.312 3.672 50 0 CHAARM CC(C)CCC[C@H](C)NC(=O)c1ccccc1[S-] ZINC000006509757 170208337 /nfs/dbraw/zinc/20/83/37/170208337.db2.gz LYVBOMHWUCLRQI-LBPRGKRZSA-N -1 0 265.422 3.920 50 0 CHAARM O=C([O-])c1cccc(NC(=O)Nc2ccccc2Cl)c1 ZINC000006698652 170227657 /nfs/dbraw/zinc/22/76/57/170227657.db2.gz CYPMCQZDOWBSKE-UHFFFAOYSA-N -1 0 290.706 3.682 50 0 CHAARM O=C([O-])C[C@H](c1cccc2ccccc21)n1cccc1 ZINC000006942847 170257440 /nfs/dbraw/zinc/25/74/40/170257440.db2.gz WPHZWPLPYKHTTE-MRXNPFEDSA-N -1 0 265.312 3.705 50 0 CHAARM O=C(c1c[nH]nc1-c1ccccc1O)c1ccc(Cl)cc1 ZINC000008580180 170341817 /nfs/dbraw/zinc/34/18/17/170341817.db2.gz NZRJFJCUWFVBJJ-UHFFFAOYSA-N -1 0 298.729 3.667 50 0 CHAARM CC(C)Oc1ccc(Oc2ccc(C(=O)[O-])cc2)cc1 ZINC000008700349 170346666 /nfs/dbraw/zinc/34/66/66/170346666.db2.gz BFAGGMQCUVFICU-UHFFFAOYSA-N -1 0 272.300 3.964 50 0 CHAARM Cc1cc(C)cc(OCc2cccc(C(=O)[O-])c2)c1 ZINC000008729642 170350176 /nfs/dbraw/zinc/35/01/76/170350176.db2.gz DRMVOCWMDAPTSA-UHFFFAOYSA-N -1 0 256.301 3.581 50 0 CHAARM CC(C)(C)c1cc(C(=O)[O-])nn1-c1ccc(Cl)cc1 ZINC000011802093 170442221 /nfs/dbraw/zinc/44/22/21/170442221.db2.gz PQTKYQRFMFGKOI-UHFFFAOYSA-N -1 0 278.739 3.521 50 0 CHAARM Cc1cc2c([n-]c(=S)n(Cc3cccs3)c2=O)s1 ZINC000017023601 170722429 /nfs/dbraw/zinc/72/24/29/170722429.db2.gz VYBZRCZDCVQNMA-UHFFFAOYSA-N -1 0 294.426 3.539 50 0 CHAARM CCOc1cc(C(=O)[O-])ccc1OCc1ccccc1C ZINC000019806599 170875398 /nfs/dbraw/zinc/87/53/98/170875398.db2.gz JOLGHIQGGKPXEC-UHFFFAOYSA-N -1 0 286.327 3.671 50 0 CHAARM O=C([O-])c1ccc(Sc2ccc(Cl)cc2)nc1 ZINC000019845382 170893583 /nfs/dbraw/zinc/89/35/83/170893583.db2.gz UYPPTFYTDVNMNU-UHFFFAOYSA-N -1 0 265.721 3.584 50 0 CHAARM CCc1ccc2nc(-c3ccc(N)cc3)cc(C(=O)[O-])c2c1 ZINC000020213271 171075681 /nfs/dbraw/zinc/07/56/81/171075681.db2.gz NGGUHLACAQIMPO-UHFFFAOYSA-N -1 0 292.338 3.745 50 0 CHAARM O=C([O-])c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1 ZINC000021031268 171292015 /nfs/dbraw/zinc/29/20/15/171292015.db2.gz CRPUIOAIHYYSNO-UHFFFAOYSA-N -1 0 283.114 3.830 50 0 CHAARM O=C([O-])c1ccccc1CO[C@@H]1CCCc2ccccc21 ZINC000035415245 172189979 /nfs/dbraw/zinc/18/99/79/172189979.db2.gz RXUJKCFKMIIIFU-QGZVFWFLSA-N -1 0 282.339 3.979 50 0 CHAARM O=C([O-])c1cc2ccccc2c(Nc2ccc(F)cc2)n1 ZINC000037373070 173162885 /nfs/dbraw/zinc/16/28/85/173162885.db2.gz PPDUGLFVEMQBGL-UHFFFAOYSA-N -1 0 282.274 3.816 50 0 CHAARM [O-]c1cc(C(F)(F)F)c(Cl)cc1Br ZINC000043828155 175114980 /nfs/dbraw/zinc/11/49/80/175114980.db2.gz PLBFOFZIFTVEHV-UHFFFAOYSA-N -1 0 275.451 3.827 50 0 CHAARM COc1cc(-c2cccc(C(=O)[O-])c2)ccc1Cl ZINC000065336965 175709529 /nfs/dbraw/zinc/70/95/29/175709529.db2.gz NKQXNXBDZCZIRX-UHFFFAOYSA-N -1 0 262.692 3.714 50 0 CHAARM COc1ccc(C(=O)c2coc3ccc(O)cc32)c(F)c1 ZINC000575440937 329120062 /nfs/dbraw/zinc/12/00/62/329120062.db2.gz LDENJQRQBVESKE-UHFFFAOYSA-N -1 0 286.258 3.517 50 0 CHAARM O=C([O-])c1cccc(Oc2ccc(Cl)c(Cl)c2)n1 ZINC000051041651 567893957 /nfs/dbraw/zinc/89/39/57/567893957.db2.gz SCXBSWPJJRNIHJ-UHFFFAOYSA-N -1 0 284.098 3.879 50 0 CHAARM O=c1c2oc3ccccc3c2[n-]c(=S)n1C1CCCC1 ZINC000100020950 566877677 /nfs/dbraw/zinc/87/76/77/566877677.db2.gz PNVQOTFDQILMPO-UHFFFAOYSA-N -1 0 286.356 3.920 50 0 CHAARM Cc1c([O-])ccc2c(=O)c(-c3ccccc3F)coc12 ZINC000032634063 566953722 /nfs/dbraw/zinc/95/37/22/566953722.db2.gz RKJSARBFSDJOKG-UHFFFAOYSA-N -1 0 270.259 3.613 50 0 CHAARM Cc1ccc(Sc2ccc(CC(=O)[O-])cc2)cc1 ZINC000038351871 567072226 /nfs/dbraw/zinc/07/22/26/567072226.db2.gz IHQINQRGRSXYLM-UHFFFAOYSA-N -1 0 258.342 3.773 50 0 CHAARM COc1cccc(-c2cc3cc(C(=O)[O-])ccc3o2)c1 ZINC000114956346 567112210 /nfs/dbraw/zinc/11/22/10/567112210.db2.gz AELYXYUTMFATHK-UHFFFAOYSA-N -1 0 268.268 3.807 50 0 CHAARM CC(C)c1ccccc1[N-]S(=O)(=O)c1ccccc1F ZINC000003581376 567178878 /nfs/dbraw/zinc/17/88/78/567178878.db2.gz MQWSSPFEXGJPHC-UHFFFAOYSA-N -1 0 293.363 3.750 50 0 CHAARM O=C([O-])c1cc(-c2cccc3cccnc32)cs1 ZINC000067872948 567197088 /nfs/dbraw/zinc/19/70/88/567197088.db2.gz XAWOPBRTHSGCEK-UHFFFAOYSA-N -1 0 255.298 3.662 50 0 CHAARM COc1ccc(-c2csc([N-]c3ncccn3)n2)cc1C ZINC000000070721 567817519 /nfs/dbraw/zinc/81/75/19/567817519.db2.gz YMLQFVHWDYAYAN-UHFFFAOYSA-N -1 0 298.371 3.661 50 0 CHAARM COc1ccc2c(c1)c(C(=O)[O-])c(C)n2Cc1ccccc1 ZINC000000077011 567817660 /nfs/dbraw/zinc/81/76/60/567817660.db2.gz UDXINIVAVPGBJW-UHFFFAOYSA-N -1 0 295.338 3.705 50 0 CHAARM O=C([O-])c1cccc(CSc2cccs2)c1 ZINC000000124714 567819101 /nfs/dbraw/zinc/81/91/01/567819101.db2.gz WSMPZJFCOIZVQR-UHFFFAOYSA-N -1 0 250.344 3.739 50 0 CHAARM Cc1c(C)c(C)c(C(=O)CCCC(=O)[O-])c(C)c1C ZINC000000137599 567819753 /nfs/dbraw/zinc/81/97/53/567819753.db2.gz LSTWOJFKZVADSB-UHFFFAOYSA-N -1 0 262.349 3.666 50 0 CHAARM O=C([O-])CCC(=O)c1sc(Cl)c(Cl)c1Cl ZINC000000182893 567821875 /nfs/dbraw/zinc/82/18/75/567821875.db2.gz SBOFTACMDNZBLE-UHFFFAOYSA-N -1 0 287.551 3.756 50 0 CHAARM O=C([O-])Cn1c2ccccc2nc1SC1CCCCC1 ZINC000000294833 567824151 /nfs/dbraw/zinc/82/41/51/567824151.db2.gz CWUCHOMHJQWEGP-UHFFFAOYSA-N -1 0 290.388 3.546 50 0 CHAARM CC(C)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000000354346 567826264 /nfs/dbraw/zinc/82/62/64/567826264.db2.gz WWWNVDFXVOPVMS-UHFFFAOYSA-N -1 0 275.373 3.611 50 0 CHAARM COc1ccc(C(=O)[O-])cc1COc1ccccc1Cl ZINC000000373445 567827759 /nfs/dbraw/zinc/82/77/59/567827759.db2.gz LNHCWXCPJJADAW-UHFFFAOYSA-N -1 0 292.718 3.626 50 0 CHAARM O=C([O-])[C@@H](OCc1ccc(Cl)cc1)c1ccccc1 ZINC000000395694 567828832 /nfs/dbraw/zinc/82/88/32/567828832.db2.gz MWJMWZFIFMBIMM-AWEZNQCLSA-N -1 0 276.719 3.683 50 0 CHAARM COc1cccc(C(=O)[O-])c1OCc1ccc(Cl)cc1 ZINC000000571374 567833637 /nfs/dbraw/zinc/83/36/37/567833637.db2.gz APLFDCGEQNPXDA-UHFFFAOYSA-N -1 0 292.718 3.626 50 0 CHAARM S=c1[n-]nc(SCc2ccc(Cl)cc2)s1 ZINC000001322030 567836712 /nfs/dbraw/zinc/83/67/12/567836712.db2.gz SYOQAFMUNJKGFW-UHFFFAOYSA-N -1 0 274.823 3.773 50 0 CHAARM COc1ccc(Cl)cc1CNc1ccccc1C(=O)[O-] ZINC000002441069 567845955 /nfs/dbraw/zinc/84/59/55/567845955.db2.gz WTDKCIDOPWTFCK-UHFFFAOYSA-N -1 0 291.734 3.659 50 0 CHAARM Cc1c(Cl)ccc2c(C(=O)[O-])cc(-c3ccncc3)nc12 ZINC000002521457 567847499 /nfs/dbraw/zinc/84/74/99/567847499.db2.gz CFKNJONHEVWXHA-UHFFFAOYSA-N -1 0 298.729 3.957 50 0 CHAARM O=C([O-])CCCCCC(=O)c1ccccc1Cl ZINC000002518020 567847540 /nfs/dbraw/zinc/84/75/40/567847540.db2.gz JCLWUQDRQZUEGO-UHFFFAOYSA-N -1 0 254.713 3.558 50 0 CHAARM CCCCc1ccc(C(=O)CCCCC(=O)[O-])cc1 ZINC000002579951 567848310 /nfs/dbraw/zinc/84/83/10/567848310.db2.gz HCCJJFGEZGABNN-UHFFFAOYSA-N -1 0 262.349 3.857 50 0 CHAARM O=C([O-])CCCCCC(=O)c1ccc(Br)cc1 ZINC000002567376 567848410 /nfs/dbraw/zinc/84/84/10/567848410.db2.gz UXMPDMUBLXIWNG-UHFFFAOYSA-N -1 0 299.164 3.667 50 0 CHAARM O=C([O-])c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000002571190 567848447 /nfs/dbraw/zinc/84/84/47/567848447.db2.gz CCNGYKFALZVXHZ-UHFFFAOYSA-N -1 0 283.205 3.591 50 0 CHAARM Cc1cccc2c(CC(=O)[O-])c(-c3ccccc3)[nH]c21 ZINC000003752456 567853650 /nfs/dbraw/zinc/85/36/50/567853650.db2.gz OXAPFOKXQNIWCB-UHFFFAOYSA-N -1 0 265.312 3.770 50 0 CHAARM O=C([O-])c1cccc(OCc2ccccc2Cl)c1 ZINC000003882378 567854380 /nfs/dbraw/zinc/85/43/80/567854380.db2.gz AEESYVOFBRNYNF-UHFFFAOYSA-N -1 0 262.692 3.617 50 0 CHAARM C[C@@H](C(=O)[O-])[C@H](C(=O)c1ccccc1)c1ccc(F)cc1 ZINC000004110395 567855388 /nfs/dbraw/zinc/85/53/88/567855388.db2.gz LESZDLMKMPPZLG-ABAIWWIYSA-N -1 0 286.302 3.513 50 0 CHAARM C[C@@](Cc1nc2ccccc2s1)(C(=O)[O-])c1ccccc1 ZINC000004207430 567855796 /nfs/dbraw/zinc/85/57/96/567855796.db2.gz CQYXWVCTRPQMKH-KRWDZBQOSA-N -1 0 297.379 3.881 50 0 CHAARM O=C([O-])[C@H]1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000004205787 567855832 /nfs/dbraw/zinc/85/58/32/567855832.db2.gz UYUNBKRWYMGAKX-UWVGGRQHSA-N -1 0 261.346 3.655 50 0 CHAARM Cc1cc(Nc2ccccc2C(=O)[O-])n(-c2ccccc2)n1 ZINC000004336063 567857096 /nfs/dbraw/zinc/85/70/96/567857096.db2.gz BEBPGMIPMSDXPR-UHFFFAOYSA-N -1 0 293.326 3.623 50 0 CHAARM Cc1c(O)ccc(-c2n[nH]cc2Oc2ccccc2)c1O ZINC000004567539 567858171 /nfs/dbraw/zinc/85/81/71/567858171.db2.gz ASXNGCHMCQVMQH-UHFFFAOYSA-N -1 0 282.299 3.589 50 0 CHAARM CCCCC(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000004659247 567858985 /nfs/dbraw/zinc/85/89/85/567858985.db2.gz GKUGCXMRECEWGF-UHFFFAOYSA-N -1 0 262.136 3.828 50 0 CHAARM CC(C)(Oc1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000011860626 567860111 /nfs/dbraw/zinc/86/01/11/567860111.db2.gz HQDKONPXUALJIN-UHFFFAOYSA-N -1 0 272.300 3.721 50 0 CHAARM CC(C)Oc1c(Cl)cc(/C=C/C(=O)[O-])cc1Cl ZINC000012394671 567862967 /nfs/dbraw/zinc/86/29/67/567862967.db2.gz DKGRRWODQUYVRA-ONEGZZNKSA-N -1 0 275.131 3.878 50 0 CHAARM Cc1cccc2c1[nH]c(C(=O)[O-])c2-c1ccccc1 ZINC000012650903 567864079 /nfs/dbraw/zinc/86/40/79/567864079.db2.gz OSOLISRTJWBBIW-UHFFFAOYSA-N -1 0 251.285 3.842 50 0 CHAARM O=C([O-])c1ccc(OCc2cccc(C(F)(F)F)c2)cc1 ZINC000013079845 567864899 /nfs/dbraw/zinc/86/48/99/567864899.db2.gz IKOXBVAMLHIDQL-UHFFFAOYSA-N -1 0 296.244 3.983 50 0 CHAARM O=C([O-])c1ccccc1OCc1ccc(F)cc1Cl ZINC000013410019 567866302 /nfs/dbraw/zinc/86/63/02/567866302.db2.gz NHKDSLBPQUOAMQ-UHFFFAOYSA-N -1 0 280.682 3.756 50 0 CHAARM Cc1c(Cl)ccc2c(=O)cc(C(F)(F)F)[n-]c12 ZINC000036912540 567889708 /nfs/dbraw/zinc/88/97/08/567889708.db2.gz FDSQFEVGEIRTEF-UHFFFAOYSA-N -1 0 261.630 3.921 50 0 CHAARM COc1cc(-c2ccc(C(=O)[O-])cc2C)ccc1F ZINC000065350988 567898454 /nfs/dbraw/zinc/89/84/54/567898454.db2.gz SSCYIDRIPCVRIM-UHFFFAOYSA-N -1 0 260.264 3.508 50 0 CHAARM O=Cc1ccccc1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000065349702 567898629 /nfs/dbraw/zinc/89/86/29/567898629.db2.gz RFBKSOMVEFJZES-UHFFFAOYSA-N -1 0 260.676 3.518 50 0 CHAARM CC(C)(C)[C@@H](C(=O)[O-])C(O)(c1ccccc1)c1ccccc1 ZINC000071771686 567901690 /nfs/dbraw/zinc/90/16/90/567901690.db2.gz OJGJLFDXMGIZQU-MRXNPFEDSA-N -1 0 298.382 3.669 50 0 CHAARM C[C@@H](CC(=O)c1ccc(-c2ccccc2)cc1)C(=O)[O-] ZINC000000000474 567903323 /nfs/dbraw/zinc/90/33/23/567903323.db2.gz FDRDUFLWFSLNFT-LBPRGKRZSA-N -1 0 268.312 3.647 50 0 in-man CHAARM CC1=C(C)[C@]2(C)C(c3ccccc3)=C(C(=O)[O-])[C@]12C ZINC000096316022 567909992 /nfs/dbraw/zinc/90/99/92/567909992.db2.gz DABIWKRIIJBOLR-SJORKVTESA-N -1 0 254.329 3.901 50 0 CHAARM COc1ccc(-c2cc(=O)n(-c3ccc(C)c(C)c3)[n-]2)cc1 ZINC000100072176 567912133 /nfs/dbraw/zinc/91/21/33/567912133.db2.gz KRHGMKXFGPCIMQ-UHFFFAOYSA-N -1 0 294.354 3.870 50 0 CHAARM Cc1sc(NC(=O)c2cccc(C)c2)c(C(=O)[O-])c1C ZINC000000227479 567935774 /nfs/dbraw/zinc/93/57/74/567935774.db2.gz JCEZHNZBOGZOGH-UHFFFAOYSA-N -1 0 289.356 3.624 50 0 CHAARM O=C(/C=C/c1ccco1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000000378296 567935917 /nfs/dbraw/zinc/93/59/17/567935917.db2.gz VVOIQWYCOBWHNQ-ONEGZZNKSA-N -1 0 298.125 3.944 50 0 CHAARM CCC/C(=C\c1cccc(Br)c1)C(=O)[O-] ZINC000004528878 567938372 /nfs/dbraw/zinc/93/83/72/567938372.db2.gz VTLBEMVXZUNGFN-JXMROGBWSA-N -1 0 269.138 3.717 50 0 CHAARM CCCCP(=O)(CCCC)c1ccc(C(=O)[O-])cc1 ZINC000003157494 567938824 /nfs/dbraw/zinc/93/88/24/567938824.db2.gz XDFGZDPZRSHQOM-UHFFFAOYSA-N -1 0 282.320 3.973 50 0 CHAARM CCc1c(C)nc2c(-c3ccc(Cl)cc3)c[n-]n2c1=O ZINC000102801346 567942130 /nfs/dbraw/zinc/94/21/30/567942130.db2.gz JUVUXUVXZXECNA-UHFFFAOYSA-N -1 0 287.750 3.626 50 0 CHAARM Cc1ccccc1-n1c(Cc2cccs2)n[n-]c1=S ZINC000000535862 567942685 /nfs/dbraw/zinc/94/26/85/567942685.db2.gz FYAVBSRWGRKXMF-UHFFFAOYSA-N -1 0 287.413 3.891 50 0 CHAARM CCC[C@@H]1CCc2nc3ccccc3c(C(=O)[O-])c2C1 ZINC000019832184 567944808 /nfs/dbraw/zinc/94/48/08/567944808.db2.gz CLBUQJSOXXZGEM-LLVKDONJSA-N -1 0 269.344 3.838 50 0 CHAARM CC(C)CCC[C@H](C)NC(=O)c1ccc([O-])c(Cl)c1 ZINC000025344334 567948991 /nfs/dbraw/zinc/94/89/91/567948991.db2.gz NWQLXHOVLGWOIP-NSHDSACASA-N -1 0 283.799 3.990 50 0 CHAARM O=C(Nc1nc(C2CC2)cs1)c1ccc([O-])c(Cl)c1 ZINC000025558713 567949009 /nfs/dbraw/zinc/94/90/09/567949009.db2.gz XTYUMOYMUDXMRH-UHFFFAOYSA-N -1 0 294.763 3.632 50 0 CHAARM C[C@@H](c1ccccc1)[C@H](CC(=O)[O-])C(=O)Nc1ccccc1 ZINC000012383791 567953867 /nfs/dbraw/zinc/95/38/67/567953867.db2.gz ZUSGNHXVBOLLKW-BBRMVZONSA-N -1 0 297.354 3.520 50 0 CHAARM CC(=O)C=C([O-])c1ccc(Oc2ccc(F)cc2)cc1 ZINC000100503544 570248860 /nfs/dbraw/zinc/24/88/60/570248860.db2.gz GYPBPEFAHWKKOY-UHFFFAOYSA-N -1 0 272.275 3.780 50 0 CHAARM O=C([O-])c1ccccc1Sc1ccc(C(F)(F)F)cn1 ZINC000004053731 570331008 /nfs/dbraw/zinc/33/10/08/570331008.db2.gz TUCSSPAIYVMAHI-UHFFFAOYSA-N -1 0 299.273 3.950 50 0 CHAARM CC(C)CCn1c(=O)c2oc3ccccc3c2[n-]c1=S ZINC000004370986 570334145 /nfs/dbraw/zinc/33/41/45/570334145.db2.gz QBRBWMZQUIWRCK-UHFFFAOYSA-N -1 0 288.372 3.851 50 0 CHAARM O=C1NC(=S)SC1=Cc1ccccc1OC(F)F ZINC000012719669 570395523 /nfs/dbraw/zinc/39/55/23/570395523.db2.gz JGZBNVQIQJRQHN-VMPITWQZSA-N -1 0 287.312 3.617 50 0 CHAARM CC(C)C(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000052068487 1119281436 /nfs/dbraw/zinc/28/14/36/1119281436.db2.gz RSMHCHVGONBNBO-UHFFFAOYSA-N -1 0 277.545 3.647 50 0 CHAARM O=C(CC1CCCCC1)c1c(=O)oc2ccccc2c1[O-] ZINC000004278160 1120648670 /nfs/dbraw/zinc/64/86/70/1120648670.db2.gz SVCSEACFHNYQRG-UHFFFAOYSA-N -1 0 286.327 3.652 50 0 CHAARM CC(C)(C)P(=O)(c1ccc(C(=O)[O-])cc1)C(C)(C)C ZINC000004949857 1120928562 /nfs/dbraw/zinc/92/85/62/1120928562.db2.gz BNOUFHZNCIPHBJ-UHFFFAOYSA-N -1 0 282.320 3.970 50 0 CHAARM CCOC(=O)C=C([O-])c1cc(Cl)c(Cl)cc1Cl ZINC000000283323 1129741048 /nfs/dbraw/zinc/74/10/48/1129741048.db2.gz WBFVKSWUTMVPDF-UHFFFAOYSA-N -1 0 295.549 3.783 50 0 CHAARM Cc1ccc(C(=O)[O-])cc1-c1cccc(-c2cc[nH]n2)c1 ZINC000019789779 1129846174 /nfs/dbraw/zinc/84/61/74/1129846174.db2.gz VDBVPCLUZFRJJY-UHFFFAOYSA-N -1 0 278.311 3.750 50 0 CHAARM Cc1c(C(=O)[O-])c2ccccc2n1Cc1ccccc1F ZINC000216719814 1130802471 /nfs/dbraw/zinc/80/24/71/1130802471.db2.gz QVISAQHGBMHJQJ-UHFFFAOYSA-N -1 0 283.302 3.835 50 0 CHAARM O=C([O-])/C=C\c1ccccc1OCC1CCCCC1 ZINC000095911107 185031033 /nfs/dbraw/zinc/03/10/33/185031033.db2.gz HUYCROUFQFGRMK-KHPPLWFESA-N -1 0 260.333 3.744 50 0 CHAARM Cc1cc(-c2cc(F)cc3cccnc32)nc(C)c1C(=O)[O-] ZINC000220346068 189722546 /nfs/dbraw/zinc/72/25/46/189722546.db2.gz YJQURYWPDRZWMH-UHFFFAOYSA-N -1 0 296.301 3.751 50 0 CHAARM O=C([O-])CCn1cnc(-c2ccccc2)c1-c1ccccc1 ZINC000000086855 169531556 /nfs/dbraw/zinc/53/15/56/169531556.db2.gz RRAYJFUWEFDOPH-UHFFFAOYSA-N -1 0 292.338 3.692 50 0 CHAARM Cc1ccc2ncnc(Nc3cc(C(=O)[O-])ccc3C)c2c1 ZINC000000151219 169555581 /nfs/dbraw/zinc/55/55/81/169555581.db2.gz IETBRUHIYQMPDX-UHFFFAOYSA-N -1 0 293.326 3.688 50 0 CHAARM COc1ccc(CSCc2ccccc2)cc1C(=O)[O-] ZINC000000182940 169566821 /nfs/dbraw/zinc/56/68/21/169566821.db2.gz NIYAPGAPUFVRRF-UHFFFAOYSA-N -1 0 288.368 3.827 50 0 biogenic CHAARM COc1ccc(CNc2ccccc2C(=O)[O-])cc1Cl ZINC000000392259 169627998 /nfs/dbraw/zinc/62/79/98/169627998.db2.gz KEFSWZRMFFLDSZ-UHFFFAOYSA-N -1 0 291.734 3.659 50 0 CHAARM Cc1cc(C)c(C)c(C(=O)c2ccccc2C(=O)[O-])c1C ZINC000004719027 170004778 /nfs/dbraw/zinc/00/47/78/170004778.db2.gz QMBCGBMXTLBULJ-UHFFFAOYSA-N -1 0 282.339 3.849 50 0 CHAARM CC(C)c1ccccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000005413920 170095947 /nfs/dbraw/zinc/09/59/47/170095947.db2.gz CCYFHZVZJDVQRA-UONOGXRCSA-N -1 0 289.375 3.640 50 0 CHAARM O=C([O-])c1cc(-c2ccc(O)cc2)nc2ccc(Cl)cc21 ZINC000005522230 170107962 /nfs/dbraw/zinc/10/79/62/170107962.db2.gz DXXWWEZKXRRXHR-UHFFFAOYSA-N -1 0 299.713 3.959 50 0 CHAARM O=C([O-])Cc1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000005592335 170116956 /nfs/dbraw/zinc/11/69/56/170116956.db2.gz XSZXHVFNMYQPOI-UHFFFAOYSA-N -1 0 288.155 3.744 50 0 CHAARM O=c1c2ccc([O-])cc2occ1-c1ccc(Cl)cc1 ZINC000005731172 170134449 /nfs/dbraw/zinc/13/44/49/170134449.db2.gz CAMGISMGOXUYFB-UHFFFAOYSA-N -1 0 272.687 3.819 50 0 biogenic CHAARM Cc1cc(C)cc(Oc2coc3cc([O-])ccc3c2=O)c1 ZINC000005730330 170134577 /nfs/dbraw/zinc/13/45/77/170134577.db2.gz PIDNAWFJEAYWGN-UHFFFAOYSA-N -1 0 282.295 3.908 50 0 CHAARM O=c1c(Oc2ccc(Cl)cc2)coc2cc([O-])ccc12 ZINC000005731152 170134602 /nfs/dbraw/zinc/13/46/02/170134602.db2.gz BIWKGGSODHYGIP-UHFFFAOYSA-N -1 0 288.686 3.944 50 0 biogenic CHAARM O=C([O-])c1ccc(NCc2c(F)cccc2Cl)cc1 ZINC000005927082 170156283 /nfs/dbraw/zinc/15/62/83/170156283.db2.gz KDJYRHBLDNNAOF-UHFFFAOYSA-N -1 0 279.698 3.789 50 0 CHAARM Cn1cc([C@@H](CC(=O)[O-])c2ccccc2)c2ccccc21 ZINC000006268846 170187221 /nfs/dbraw/zinc/18/72/21/170187221.db2.gz XVWRQAZBQVTVJA-HNNXBMFYSA-N -1 0 279.339 3.785 50 0 CHAARM CCc1cc(-c2n[nH]cc2Oc2ccccc2)c(O)cc1O ZINC000006493553 170206781 /nfs/dbraw/zinc/20/67/81/170206781.db2.gz CNJFYVMPHWHMIT-UHFFFAOYSA-N -1 0 296.326 3.843 50 0 CHAARM COc1cccc(Oc2c(C)oc3cc([O-])ccc3c2=O)c1 ZINC000006556409 170212801 /nfs/dbraw/zinc/21/28/01/170212801.db2.gz VNGUDJFZBMBPEU-UHFFFAOYSA-N -1 0 298.294 3.608 50 0 biogenic CHAARM O=C([O-])c1ccc(OCc2ccccc2F)c(Cl)c1 ZINC000007603998 170293441 /nfs/dbraw/zinc/29/34/41/170293441.db2.gz IPVIVARDWMBJKP-UHFFFAOYSA-N -1 0 280.682 3.756 50 0 CHAARM O=c1oc2cc(O)ccc2c([O-])c1-c1ccc(Cl)cc1 ZINC000009183940 170365481 /nfs/dbraw/zinc/36/54/81/170365481.db2.gz ABZALUTZTAJOSW-UHFFFAOYSA-N -1 0 288.686 3.525 50 0 biogenic CHAARM CC(C)c1ccccc1NC(=O)c1ccccc1C(=O)[O-] ZINC000009695538 170384556 /nfs/dbraw/zinc/38/45/56/170384556.db2.gz JSSKTMNKONMASQ-UHFFFAOYSA-N -1 0 283.327 3.761 50 0 CHAARM O=C([O-])C[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000011629078 170429074 /nfs/dbraw/zinc/42/90/74/170429074.db2.gz YGWFEBLGVWKAGO-AWEZNQCLSA-N -1 0 260.720 3.947 50 0 CHAARM CCc1[n-]n2c(nc(C)cc2=O)c1-c1ccc(Cl)cc1 ZINC000012115658 170469381 /nfs/dbraw/zinc/46/93/81/170469381.db2.gz WKKCGWCGPOHYPX-UHFFFAOYSA-N -1 0 287.750 3.626 50 0 CHAARM COc1cc(/C=C/C(=O)[O-])c(Cl)cc1OC1CCCC1 ZINC000012394618 170483949 /nfs/dbraw/zinc/48/39/49/170483949.db2.gz GDEKXKPDHWGFRH-VOTSOKGWSA-N -1 0 296.750 3.768 50 0 CHAARM Cc1ccccc1NC(=S)Nc1cccc(C(=O)[O-])c1 ZINC000013795602 170595174 /nfs/dbraw/zinc/59/51/74/170595174.db2.gz XZYSARWQERPHLJ-UHFFFAOYSA-N -1 0 286.356 3.502 50 0 CHAARM Cc1ccc(NC(=O)CC2(CC(=O)[O-])CCCC2)cc1C ZINC000017022237 170721692 /nfs/dbraw/zinc/72/16/92/170721692.db2.gz CHGCYJWEIGZCDQ-UHFFFAOYSA-N -1 0 289.375 3.667 50 0 CHAARM O=C([O-])[C@@H](Sc1ccccc1F)c1ccccc1 ZINC000019410678 170789617 /nfs/dbraw/zinc/78/96/17/170789617.db2.gz LSWNWRLXKSNLNG-ZDUSSCGKSA-N -1 0 262.305 3.744 50 0 CHAARM O=C([O-])c1ccc2oc(-c3ccccc3Cl)nc2c1 ZINC000020158766 171039841 /nfs/dbraw/zinc/03/98/41/171039841.db2.gz RQMFSMZMURCTTR-UHFFFAOYSA-N -1 0 273.675 3.846 50 0 CHAARM O=C([O-])c1cc(-c2cccs2)nc2onc(C3CC3)c21 ZINC000022219820 171377055 /nfs/dbraw/zinc/37/70/55/171377055.db2.gz PDWNCPRTWRQPJU-UHFFFAOYSA-N -1 0 286.312 3.527 50 0 CHAARM O=C([O-])[C@H](Cc1ccccc1)Cc1ccc(Cl)cc1 ZINC000037653390 173603801 /nfs/dbraw/zinc/60/38/01/173603801.db2.gz SVVHATPUNLVMIE-CQSZACIVSA-N -1 0 274.747 3.826 50 0 CHAARM O=C([O-])c1cc(-c2ccccc2Cl)ccc1F ZINC000038078175 174087925 /nfs/dbraw/zinc/08/79/25/174087925.db2.gz DVTKENLTAJBRPP-UHFFFAOYSA-N -1 0 250.656 3.844 50 0 CHAARM O=C([O-])/C=C/c1ccc(C(F)(F)F)cc1C(F)(F)F ZINC000044201124 175153754 /nfs/dbraw/zinc/15/37/54/175153754.db2.gz YGAXXKKVJARVCF-DUXPYHPUSA-N -1 0 284.155 3.822 50 0 CHAARM Cc1oc2cc([O-])ccc2c(=O)c1Oc1ccc(F)cc1 ZINC000003885768 260013507 /nfs/dbraw/zinc/01/35/07/260013507.db2.gz PZWFKHRCXBIDHA-UHFFFAOYSA-N -1 0 286.258 3.738 50 0 CHAARM O=C([O-])c1cccnc1-c1cc(Cl)ccc1Cl ZINC000065348594 567898795 /nfs/dbraw/zinc/89/87/95/567898795.db2.gz HKGVNOFFVLHUHZ-UHFFFAOYSA-N -1 0 268.099 3.754 50 0 CHAARM Cc1ccc([C@H](CC(=O)[O-])[C@@H]2CCOC(C)(C)C2)cc1 ZINC000001856573 560185161 /nfs/dbraw/zinc/18/51/61/560185161.db2.gz SJEKEWDPPWCSOR-CABCVRRESA-N -1 0 276.376 3.759 50 0 biogenic,in-vitro CHAARM Cc1ccc(O)c(C(=O)C=C([O-])c2ccc(Cl)cc2)c1 ZINC000001506038 566901326 /nfs/dbraw/zinc/90/13/26/566901326.db2.gz AALQRZYXRYPZSN-UHFFFAOYSA-N -1 0 288.730 3.810 50 0 CHAARM O=C(Nc1cccc(Cl)c1)c1cc(Cl)ccc1[O-] ZINC000001682067 566944079 /nfs/dbraw/zinc/94/40/79/566944079.db2.gz NXDGLRGDIKDWIF-UHFFFAOYSA-N -1 0 282.126 3.951 50 0 CHAARM Cc1ccc([C@H]([N-]C(=O)C(F)(F)F)c2ccccc2)cc1 ZINC000000438729 566955434 /nfs/dbraw/zinc/95/54/34/566955434.db2.gz YLMZEYPJWWCXHV-CQSZACIVSA-N -1 0 293.288 3.763 50 0 CHAARM Cc1ccc(C(=O)[C@@H]2C[C@H](C(=O)[O-])C(C)(C)[C@H]2C)c(C)c1 ZINC000253578809 567004401 /nfs/dbraw/zinc/00/44/01/567004401.db2.gz YUQKJNKZHLWJHK-NWANDNLSSA-N -1 0 288.387 3.869 50 0 CHAARM Cc1ccccc1OCc1nc2ccccc2cc1C(=O)[O-] ZINC000019909771 567123992 /nfs/dbraw/zinc/12/39/92/567123992.db2.gz JGQGYUWZDCLPGU-UHFFFAOYSA-N -1 0 293.322 3.820 50 0 CHAARM Cc1ccc(C(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])cc1 ZINC000002468996 567145952 /nfs/dbraw/zinc/14/59/52/567145952.db2.gz LSCGIYLABOLXML-CABCVRRESA-N -1 0 272.344 3.625 50 0 CHAARM CC(C)CC(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000000363818 567827167 /nfs/dbraw/zinc/82/71/67/567827167.db2.gz GJTWAUNPAYNRBL-UHFFFAOYSA-N -1 0 262.136 3.684 50 0 CHAARM Cc1ccc(-c2cc(C(=O)[O-])c3ccccc3n2)cc1 ZINC000000035833 567816751 /nfs/dbraw/zinc/81/67/51/567816751.db2.gz CKOMAFAOCHXEQX-UHFFFAOYSA-N -1 0 263.296 3.908 50 0 biogenic,in-vitro CHAARM COc1ccc(-c2cc(C(=O)[O-])c3ccccc3n2)cc1 ZINC000000039344 567816890 /nfs/dbraw/zinc/81/68/90/567816890.db2.gz ZCNPYYVKVXSLQF-UHFFFAOYSA-N -1 0 279.295 3.609 50 0 biogenic CHAARM COc1cc(C(=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000000123155 567819165 /nfs/dbraw/zinc/81/91/65/567819165.db2.gz YMRCVEFBDPOBEK-UHFFFAOYSA-N -1 0 292.718 3.626 50 0 biogenic CHAARM O=C([O-])CSc1c(Cl)cc(Cl)cc1Cl ZINC000000131917 567819494 /nfs/dbraw/zinc/81/94/94/567819494.db2.gz GLUITVXDRJKLMN-UHFFFAOYSA-N -1 0 271.552 3.824 50 0 CHAARM O=C([O-])/C=C/c1ccc(-c2ccc(Br)cc2)o1 ZINC000000186546 567821797 /nfs/dbraw/zinc/82/17/97/567821797.db2.gz UWJPYZVCZQFJDI-SOFGYWHQSA-N -1 0 293.116 3.807 50 0 CHAARM O=C([O-])c1cccnc1Oc1cccc(C(F)(F)F)c1 ZINC000000167695 567821130 /nfs/dbraw/zinc/82/11/30/567821130.db2.gz OBRGOFGSXWAVNZ-UHFFFAOYSA-N -1 0 283.205 3.591 50 0 CHAARM C[C@@H](c1ccccc1)[C@H](CC(=O)Nc1ccccc1)C(=O)[O-] ZINC000000297071 567824153 /nfs/dbraw/zinc/82/41/53/567824153.db2.gz BDMDXLRFUPFFHD-BBRMVZONSA-N -1 0 297.354 3.520 50 0 CHAARM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1ccco1 ZINC000000362647 567827128 /nfs/dbraw/zinc/82/71/28/567827128.db2.gz YEZSNTMQOWTSBR-UHFFFAOYSA-N -1 0 272.087 3.544 50 0 CHAARM COc1cccc(-c2cc(C(=O)[O-])c3cc(C)ccc3n2)c1 ZINC000000372103 567827795 /nfs/dbraw/zinc/82/77/95/567827795.db2.gz MMWABPDZOOUCOI-UHFFFAOYSA-N -1 0 293.322 3.917 50 0 CHAARM Cc1ccc(C(=O)C[C@@H](C(=O)[O-])c2ccc(C)cc2)cc1 ZINC000000390417 567828314 /nfs/dbraw/zinc/82/83/14/567828314.db2.gz JBSWKVOSLWWAIQ-MRXNPFEDSA-N -1 0 282.339 3.745 50 0 CHAARM O=C([O-])[C@H](OCc1ccc(Cl)cc1)c1ccccc1 ZINC000000395695 567828661 /nfs/dbraw/zinc/82/86/61/567828661.db2.gz MWJMWZFIFMBIMM-CQSZACIVSA-N -1 0 276.719 3.683 50 0 CHAARM Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[O-])cc1 ZINC000000453305 567830956 /nfs/dbraw/zinc/83/09/56/567830956.db2.gz JQKBZECDRHDIIL-UHFFFAOYSA-N -1 0 278.311 3.546 50 0 CHAARM Cc1ccc(OCc2ccc(C(=O)[O-])cc2)cc1C ZINC000000465194 567831687 /nfs/dbraw/zinc/83/16/87/567831687.db2.gz JZRVWERFZKKVPQ-UHFFFAOYSA-N -1 0 256.301 3.581 50 0 biogenic CHAARM O=C([O-])c1cccc(COc2ccc(Cl)cc2)c1 ZINC000000548897 567833184 /nfs/dbraw/zinc/83/31/84/567833184.db2.gz OQKCKBQDCXPSQE-UHFFFAOYSA-N -1 0 262.692 3.617 50 0 CHAARM O=C([O-])C1=C2CCCCCC[C@H]2Nc2ccccc21 ZINC000001459888 567837764 /nfs/dbraw/zinc/83/77/64/567837764.db2.gz JXQDFBLZEKQTOX-CYBMUJFWSA-N -1 0 257.333 3.673 50 0 CHAARM COc1ccc(-c2cc(C(=O)[O-])c3cccc(C)c3n2)cc1 ZINC000001726877 567842796 /nfs/dbraw/zinc/84/27/96/567842796.db2.gz WERFLPDFGFSTQK-UHFFFAOYSA-N -1 0 293.322 3.917 50 0 CHAARM CC(C)CC[C@@H](CC(=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000002159733 567844750 /nfs/dbraw/zinc/84/47/50/567844750.db2.gz CGFDHQZQOJIQDO-QWHCGFSZSA-N -1 0 256.386 3.719 50 0 biogenic CHAARM CC(C)CC[C@H](CC(=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000002159731 567844764 /nfs/dbraw/zinc/84/47/64/567844764.db2.gz CGFDHQZQOJIQDO-OLZOCXBDSA-N -1 0 256.386 3.719 50 0 biogenic CHAARM O=C([O-])c1cc(-c2cccnc2)nc2ccc(Cl)cc21 ZINC000002521458 567847357 /nfs/dbraw/zinc/84/73/57/567847357.db2.gz JUPGJLOVMZDPEO-UHFFFAOYSA-N -1 0 284.702 3.648 50 0 CHAARM Cc1ccc2c(C(=O)[O-])cc(-c3ccco3)nc2c1C ZINC000002521471 567847383 /nfs/dbraw/zinc/84/73/83/567847383.db2.gz IDMLFUWRDFYFPS-UHFFFAOYSA-N -1 0 267.284 3.810 50 0 CHAARM Cc1ccc(C(=O)CCCCC(=O)[O-])cc1Br ZINC000002518011 567847484 /nfs/dbraw/zinc/84/74/84/567847484.db2.gz GDSZAEHWDVNMOC-UHFFFAOYSA-N -1 0 299.164 3.585 50 0 CHAARM CCCCCCc1ccc(C(=O)CCC(=O)[O-])cc1 ZINC000002555767 567848100 /nfs/dbraw/zinc/84/81/00/567848100.db2.gz WWHKOZXEVDESBN-UHFFFAOYSA-N -1 0 262.349 3.857 50 0 CHAARM Cc1cc(C(=O)[O-])c2cc(Cl)cc(Cl)c2n1 ZINC000003756863 567853711 /nfs/dbraw/zinc/85/37/11/567853711.db2.gz NHWSMEWGHBKRLI-UHFFFAOYSA-N -1 0 256.088 3.548 50 0 CHAARM O=C([O-])c1cc2sc(Nc3ccccc3)nc2s1 ZINC000003888855 567854287 /nfs/dbraw/zinc/85/42/87/567854287.db2.gz JELLTOYBWRCVJL-UHFFFAOYSA-N -1 0 276.342 3.800 50 0 CHAARM Cc1ccc(OCc2ccc(C(=O)[O-])s2)cc1C ZINC000012357622 567862792 /nfs/dbraw/zinc/86/27/92/567862792.db2.gz HXNLMJOQNLGIPW-UHFFFAOYSA-N -1 0 262.330 3.642 50 0 CHAARM C[C@H]1CCCc2sc(-n3cccc3)c(C(=O)[O-])c21 ZINC000012404797 567862977 /nfs/dbraw/zinc/86/29/77/567862977.db2.gz SGXDYJWYZLBRPH-VIFPVBQESA-N -1 0 261.346 3.677 50 0 CHAARM Cc1cc(OC2CCCCC2)nc(-c2ccccc2[O-])n1 ZINC000013130624 567865240 /nfs/dbraw/zinc/86/52/40/567865240.db2.gz IXSUBNKAZFHJJH-UHFFFAOYSA-N -1 0 284.359 3.869 50 0 CHAARM Cc1[n-]n2c(nc(C(C)(C)C)cc2=O)c1-c1ccc(F)cc1 ZINC000013625025 567866585 /nfs/dbraw/zinc/86/65/85/567866585.db2.gz PCFYFJNSZIINEO-UHFFFAOYSA-N -1 0 299.349 3.847 50 0 CHAARM O=C(c1ccc([O-])c(Cl)c1)N1CC[C@H]2CCCC[C@@H]2C1 ZINC000032845336 567869200 /nfs/dbraw/zinc/86/92/00/567869200.db2.gz IOHSTBGPPGIDDJ-DGCLKSJQSA-N -1 0 293.794 3.698 50 0 CHAARM Cc1ccc(C)c2nc3sc(C(=O)[O-])cc3cc12 ZINC000019735277 567878560 /nfs/dbraw/zinc/87/85/60/567878560.db2.gz YYTLACIFLNWFLC-UHFFFAOYSA-N -1 0 257.314 3.765 50 0 CHAARM CCC(CC)(CC(=O)Nc1ccc(C)cc1C)C(=O)[O-] ZINC000011163298 567895548 /nfs/dbraw/zinc/89/55/48/567895548.db2.gz UBEIXJROENASGA-UHFFFAOYSA-N -1 0 277.364 3.523 50 0 CHAARM O=Cc1cccc(-c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000065349729 567898625 /nfs/dbraw/zinc/89/86/25/567898625.db2.gz IADQEJMDRPXFOK-UHFFFAOYSA-N -1 0 260.676 3.518 50 0 CHAARM COc1cc(C(=O)[O-])cc(-c2cccc(Cl)c2)c1 ZINC000065350328 567898735 /nfs/dbraw/zinc/89/87/35/567898735.db2.gz YAZMTLBTJRBJJH-UHFFFAOYSA-N -1 0 262.692 3.714 50 0 CHAARM Cc1cc(C)c(CNc2ccccc2C(=O)[O-])c(C)c1 ZINC000037115533 567907944 /nfs/dbraw/zinc/90/79/44/567907944.db2.gz TVNUDHOJMLTBAQ-UHFFFAOYSA-N -1 0 269.344 3.922 50 0 CHAARM Cc1cc(C)c2nc(Nc3nc(C)cc(C)n3)nc(C)c2c1 ZINC000000273241 567926237 /nfs/dbraw/zinc/92/62/37/567926237.db2.gz HADVUOJWKXFAEY-UHFFFAOYSA-N -1 0 293.374 3.706 50 0 CHAARM Cc1ccc([C@@H]([N-]C(=O)C(F)(F)F)c2ccccc2)cc1 ZINC000000438730 567936125 /nfs/dbraw/zinc/93/61/25/567936125.db2.gz YLMZEYPJWWCXHV-AWEZNQCLSA-N -1 0 293.288 3.763 50 0 CHAARM Cc1ccc2oc(-c3cccs3)c(O)c(=O)c2c1 ZINC000001933212 570214908 /nfs/dbraw/zinc/21/49/08/570214908.db2.gz ALJNQXFRDFKNDU-UHFFFAOYSA-N -1 0 258.298 3.536 50 0 CHAARM Cc1sc(/C=C/c2cccc(Cl)c2)nc1C(=O)[O-] ZINC000225792909 1131538172 /nfs/dbraw/zinc/53/81/72/1131538172.db2.gz VSYMJZKKBZWVSA-AATRIKPKSA-N -1 0 279.748 3.974 50 0 CHAARM O=C([O-])c1ccc(Nc2ccc3ccccc3n2)cc1 ZINC000000758215 1120973302 /nfs/dbraw/zinc/97/33/02/1120973302.db2.gz OGOFRKMSRFERSS-UHFFFAOYSA-N -1 0 264.284 3.677 50 0 CHAARM O=C([O-])c1ccccc1Sc1ncnc2sccc21 ZINC000002633011 230367438 /nfs/dbraw/zinc/36/74/38/230367438.db2.gz XCDMGRZLOKLFMO-UHFFFAOYSA-N -1 0 288.353 3.541 50 0 CHAARM Cc1cc([O-])c(C(=O)c2ccccc2)c(C)c1Cl ZINC000083152652 178342202 /nfs/dbraw/zinc/34/22/02/178342202.db2.gz DRDNPQVAYNJNLQ-UHFFFAOYSA-N -1 0 260.720 3.893 50 0 CHAARM CC(=O)c1ccccc1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000085476938 179079619 /nfs/dbraw/zinc/07/96/19/179079619.db2.gz OJORRYBFKFJYGU-UHFFFAOYSA-N -1 0 274.703 3.908 50 0 CHAARM Cc1ccc(Cn2ccc3cc(C(=O)[O-])ccc32)cc1 ZINC000108253304 186208674 /nfs/dbraw/zinc/20/86/74/186208674.db2.gz HOZVXNVCWLHKSF-UHFFFAOYSA-N -1 0 265.312 3.696 50 0 CHAARM CC1=C(C)[C@@]2(C)C(c3ccccc3)=C(C(=O)[O-])[C@]12C ZINC000108639248 186224872 /nfs/dbraw/zinc/22/48/72/186224872.db2.gz DABIWKRIIJBOLR-IRXDYDNUSA-N -1 0 254.329 3.901 50 0 CHAARM Cc1ccc(-c2onc3ccc(/C=C/C(=O)[O-])cc32)cc1 ZINC000000169955 169562106 /nfs/dbraw/zinc/56/21/06/169562106.db2.gz YPDPEHKRYOMXIP-WEVVVXLNSA-N -1 0 279.295 3.901 50 0 CHAARM Cc1cc(C)c([C@H](C(=O)[O-])c2ccccc2)c(C)c1 ZINC000000340404 169611464 /nfs/dbraw/zinc/61/14/64/169611464.db2.gz RYZVPLVIQGWEIJ-MRXNPFEDSA-N -1 0 254.329 3.828 50 0 CHAARM O=C([O-])c1ccccc1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004030564 184529794 /nfs/dbraw/zinc/52/97/94/184529794.db2.gz XKZLSYWCDJZTMW-UHFFFAOYSA-N -1 0 299.370 3.540 50 0 CHAARM O=C([O-])[C@H](CCc1ccccc1)Cc1ccccc1 ZINC000071772082 184575717 /nfs/dbraw/zinc/57/57/17/184575717.db2.gz YQADLVQOGPHNAK-MRXNPFEDSA-N -1 0 254.329 3.563 50 0 CHAARM O=C([O-])CC1(CC(=O)Nc2cccc(Cl)c2)CCCC1 ZINC000000520358 169661268 /nfs/dbraw/zinc/66/12/68/169661268.db2.gz HLSSINFNRQPRLG-UHFFFAOYSA-N -1 0 295.766 3.704 50 0 CHAARM Cc1cccc(C)c1OCc1ccc(C(=O)[O-])cc1 ZINC000002536624 169804905 /nfs/dbraw/zinc/80/49/05/169804905.db2.gz BESKEYBHECGTNW-UHFFFAOYSA-N -1 0 256.301 3.581 50 0 CHAARM Cc1ccc(Sc2ncccc2C(=O)[O-])cc1C ZINC000003338690 169880795 /nfs/dbraw/zinc/88/07/95/169880795.db2.gz CRLOVVXMPXCXPM-UHFFFAOYSA-N -1 0 259.330 3.548 50 0 CHAARM O=C([O-])CCC(=O)c1ccc(-c2ccc(F)cc2F)cc1 ZINC000003602059 169901113 /nfs/dbraw/zinc/90/11/13/169901113.db2.gz IIMOBFFVEGJVHQ-UHFFFAOYSA-N -1 0 290.265 3.679 50 0 CHAARM O=C([O-])CS[C@@H]1c2ccccc2Oc2ccc(F)cc21 ZINC000004387690 169964394 /nfs/dbraw/zinc/96/43/94/169964394.db2.gz SQWHWPZXIVFVTL-OAHLLOKOSA-N -1 0 290.315 3.839 50 0 CHAARM O=C([O-])c1ccccc1NC(=O)Nc1ccccc1Cl ZINC000004776636 170015816 /nfs/dbraw/zinc/01/58/16/170015816.db2.gz UVJDKNJDQYYMQX-UHFFFAOYSA-N -1 0 290.706 3.682 50 0 CHAARM CCOc1ccc(CNc2cc(C(=O)[O-])ccc2C)cc1 ZINC000004841833 170028406 /nfs/dbraw/zinc/02/84/06/170028406.db2.gz RIIHNYLLCAZDGI-UHFFFAOYSA-N -1 0 285.343 3.704 50 0 CHAARM C[C@H](c1ccccc1)n1c(=O)c2ccccc2[n-]c1=S ZINC000005691710 170129845 /nfs/dbraw/zinc/12/98/45/170129845.db2.gz DWHNTCIHPKYFIN-LLVKDONJSA-N -1 0 282.368 3.668 50 0 CHAARM CCCC[C@H](CC)COC(=O)c1ccc(C(=O)[O-])cc1 ZINC000005822130 170143974 /nfs/dbraw/zinc/14/39/74/170143974.db2.gz HRUJAEJKCNCOGW-LBPRGKRZSA-N -1 0 278.348 3.758 50 0 CHAARM O=C([O-])CCC(=O)c1ccc(C2CCCCC2)cc1 ZINC000006092819 170175824 /nfs/dbraw/zinc/17/58/24/170175824.db2.gz QFDYKCAHHQKPSB-UHFFFAOYSA-N -1 0 260.333 3.782 50 0 CHAARM O=C(c1ccccc1)c1cc(Cl)c([O-])c(Cl)c1 ZINC000006095865 170176232 /nfs/dbraw/zinc/17/62/32/170176232.db2.gz HPTDNMHBDPOVLZ-UHFFFAOYSA-N -1 0 267.111 3.930 50 0 CHAARM CCc1cc2c(=O)c(-c3ccc(F)cc3)coc2cc1[O-] ZINC000006519581 170208938 /nfs/dbraw/zinc/20/89/38/170208938.db2.gz JASNJIDEWGAXCU-UHFFFAOYSA-N -1 0 284.286 3.867 50 0 CHAARM COc1ccc(-n2c(Cc3ccccc3)n[n-]c2=S)cc1 ZINC000006533632 170211402 /nfs/dbraw/zinc/21/14/02/170211402.db2.gz NWPUKDHMACGPOS-UHFFFAOYSA-N -1 0 297.383 3.529 50 0 CHAARM O=C([O-])c1ccccc1OCc1cccc(Cl)c1 ZINC000007603984 170293150 /nfs/dbraw/zinc/29/31/50/170293150.db2.gz ZZLXYZLVZBXJBY-UHFFFAOYSA-N -1 0 262.692 3.617 50 0 CHAARM CSc1ccccc1[N-]C(=S)NCc1cccs1 ZINC000007735958 170299834 /nfs/dbraw/zinc/29/98/34/170299834.db2.gz CALWOFWWZZOGEQ-UHFFFAOYSA-N -1 0 294.470 3.957 50 0 CHAARM CC(C)CCOc1ccc(C(=O)[O-])cc1Br ZINC000008568722 170340788 /nfs/dbraw/zinc/34/07/88/170340788.db2.gz KTCWWHPQAHQZMX-UHFFFAOYSA-N -1 0 287.153 3.572 50 0 CHAARM CC(C)CCOc1ccc(Br)cc1C(=O)[O-] ZINC000008722880 170349556 /nfs/dbraw/zinc/34/95/56/170349556.db2.gz ODXUQTPGYAHSLS-UHFFFAOYSA-N -1 0 287.153 3.572 50 0 CHAARM O=C([O-])/C=C/c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000008728948 170350201 /nfs/dbraw/zinc/35/02/01/170350201.db2.gz ZPPYCAHQBJYPIH-ZZXKWVIFSA-N -1 0 266.655 3.837 50 0 CHAARM Cc1cc(C(=O)[O-])ccc1NC(=O)CCC1CCCCC1 ZINC000008906356 170358446 /nfs/dbraw/zinc/35/84/46/170358446.db2.gz ITJPIUCHEALQHJ-UHFFFAOYSA-N -1 0 289.375 3.992 50 0 CHAARM O=C([O-])c1csc2c1CC[C@H](c1ccccc1)C2 ZINC000009646746 170383368 /nfs/dbraw/zinc/38/33/68/170383368.db2.gz ZJGLZSUOMCGIQE-NSHDSACASA-N -1 0 258.342 3.719 50 0 CHAARM C[C@@H]1CCCc2sc(-n3cccc3)c(C(=O)[O-])c21 ZINC000012404796 170485446 /nfs/dbraw/zinc/48/54/46/170485446.db2.gz SGXDYJWYZLBRPH-SECBINFHSA-N -1 0 261.346 3.677 50 0 CHAARM O=C([O-])c1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000016429695 170697590 /nfs/dbraw/zinc/69/75/90/170697590.db2.gz RKFQXPZCXWRHGF-UHFFFAOYSA-N -1 0 273.675 3.846 50 0 CHAARM O=C([O-])c1csc(-c2cc(Cl)cc(Cl)c2)n1 ZINC000016678745 170708675 /nfs/dbraw/zinc/70/86/75/170708675.db2.gz PNWWAVUFGSARND-UHFFFAOYSA-N -1 0 274.128 3.815 50 0 CHAARM Cc1ccc(-c2nc3cc(C(=O)[O-])ccc3o2)cc1 ZINC000020222860 171084881 /nfs/dbraw/zinc/08/48/81/171084881.db2.gz RCJFUQXKOKXYMH-UHFFFAOYSA-N -1 0 253.257 3.501 50 0 CHAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)c1ccccc1 ZINC000020269568 171125664 /nfs/dbraw/zinc/12/56/64/171125664.db2.gz DMMKMFFBADAPJB-OAHLLOKOSA-N -1 0 265.312 3.579 50 0 CHAARM Cc1ccc(NC(=O)c2cccc(Cl)c2)c(C(=O)[O-])c1 ZINC000021814959 171331542 /nfs/dbraw/zinc/33/15/42/171331542.db2.gz SFROREOFRBHSDU-UHFFFAOYSA-N -1 0 289.718 3.599 50 0 CHAARM O=C([O-])c1ccccc1-c1nc2cc(Cl)ccc2o1 ZINC000034168480 171833118 /nfs/dbraw/zinc/83/31/18/171833118.db2.gz CQHIRACFGHCDQE-UHFFFAOYSA-N -1 0 273.675 3.846 50 0 CHAARM O=C([O-])Cc1csc(-c2cccc(Cl)c2Cl)n1 ZINC000036893235 172785393 /nfs/dbraw/zinc/78/53/93/172785393.db2.gz UZKQYIRJKQFPBU-UHFFFAOYSA-N -1 0 288.155 3.744 50 0 CHAARM Cc1ccccc1COc1cccc2[nH]c(C(=O)[O-])cc21 ZINC000040352014 174244993 /nfs/dbraw/zinc/24/49/93/174244993.db2.gz DKHAYZLSEDAZNF-UHFFFAOYSA-N -1 0 281.311 3.754 50 0 CHAARM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000044253216 175156306 /nfs/dbraw/zinc/15/63/06/175156306.db2.gz ABSZIHHGWAAZDZ-UHFFFAOYSA-N -1 0 299.754 3.588 50 0 CHAARM Cc1nc(Oc2ccccc2Cl)sc1C(=O)[O-] ZINC000044890576 175272909 /nfs/dbraw/zinc/27/29/09/175272909.db2.gz JFTPBEZDYSGECQ-UHFFFAOYSA-N -1 0 269.709 3.595 50 0 CHAARM Cc1cc(OCC(=O)[O-])c(C(C)C)cc1-c1cccnc1 ZINC000534632607 328331905 /nfs/dbraw/zinc/33/19/05/328331905.db2.gz VWGBAIBQWWWJOR-UHFFFAOYSA-N -1 0 285.343 3.644 50 0 CHAARM CC[C@H](C)c1ccc(-c2c(C)nn(C)c2C(=O)[O-])cc1 ZINC000534640197 328336087 /nfs/dbraw/zinc/33/60/87/328336087.db2.gz HNFPTRROYJYOTR-JTQLQIEISA-N -1 0 272.348 3.607 50 0 CHAARM O=C([O-])c1c(F)cccc1-c1cccc2cccnc21 ZINC000161129557 328449229 /nfs/dbraw/zinc/44/92/29/328449229.db2.gz MLOTULZQDAVXDD-UHFFFAOYSA-N -1 0 267.259 3.739 50 0 CHAARM O=C([O-])CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001081224 326793394 /nfs/dbraw/zinc/79/33/94/326793394.db2.gz LISLXJGPJUAEHU-UHFFFAOYSA-N -1 0 286.171 3.741 50 0 CHAARM Cc1ccc(Oc2ccc(C(=O)[O-])o2)c(Br)c1 ZINC000050907575 328754670 /nfs/dbraw/zinc/75/46/70/328754670.db2.gz IYZJQOWMCFVODI-UHFFFAOYSA-N -1 0 297.104 3.841 50 0 CHAARM O=C([O-])c1cccc(COc2ccccc2Cl)c1 ZINC000000280728 534548908 /nfs/dbraw/zinc/54/89/08/534548908.db2.gz XRLOVVNQWKZVHK-UHFFFAOYSA-N -1 0 262.692 3.617 50 0 CHAARM O=C([O-])c1csc(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000002528925 567931984 /nfs/dbraw/zinc/93/19/84/567931984.db2.gz HGYPILVCKPTZHI-UHFFFAOYSA-N -1 0 288.250 3.604 50 0 CHAARM Cc1ccc([C@@H](CC(=O)[O-])[C@@H]2CCOC(C)(C)C2)cc1 ZINC000001856571 560185166 /nfs/dbraw/zinc/18/51/66/560185166.db2.gz SJEKEWDPPWCSOR-HUUCEWRRSA-N -1 0 276.376 3.759 50 0 biogenic,in-vitro CHAARM Cc1cccc(OP(=O)([O-])Oc2cccc(C)c2)c1 ZINC000001839760 566845078 /nfs/dbraw/zinc/84/50/78/566845078.db2.gz JIHHEDIKJNYFHY-UHFFFAOYSA-N -1 0 278.244 3.862 50 0 CHAARM O=C(C=C([O-])c1ccc(Cl)cc1Cl)C1CC1 ZINC000109262136 566887024 /nfs/dbraw/zinc/88/70/24/566887024.db2.gz WIVBHTKXAQJJJA-UHFFFAOYSA-N -1 0 257.116 3.545 50 0 CHAARM CC1(C)[C@H]2CC[C@]1(C)C(=O)C2=C([O-])c1ccccc1 ZINC000035976669 567088834 /nfs/dbraw/zinc/08/88/34/567088834.db2.gz IVDVAMTYPIOUEQ-OGHNNQOOSA-N -1 0 256.345 3.511 50 0 CHAARM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)[O-] ZINC000000121884 567819048 /nfs/dbraw/zinc/81/90/48/567819048.db2.gz DRFFZMPSUPHSJN-UHFFFAOYSA-N -1 0 287.262 3.836 50 0 in-vitro CHAARM O=C([O-])[C@H](CC(=O)c1ccccc1)c1c[nH]c2ccccc21 ZINC000000350707 567826222 /nfs/dbraw/zinc/82/62/22/567826222.db2.gz SJVMWLJNHPHNPT-CQSZACIVSA-N -1 0 293.322 3.609 50 0 CHAARM O=C([O-])[C@@H]1Sc2ccccc2Oc2ccccc21 ZINC000000347504 567826340 /nfs/dbraw/zinc/82/63/40/567826340.db2.gz ANHXGSCQPJHOKF-CYBMUJFWSA-N -1 0 258.298 3.710 50 0 CHAARM O=C([O-])c1ccc(-c2nc3ccccc3s2)s1 ZINC000000351255 567826380 /nfs/dbraw/zinc/82/63/80/567826380.db2.gz GKBJZPGWTJQYCN-UHFFFAOYSA-N -1 0 261.327 3.723 50 0 CHAARM O=C([O-])CCC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000000394937 567828691 /nfs/dbraw/zinc/82/86/91/567828691.db2.gz MXDIUFKCBZTRIM-UHFFFAOYSA-N -1 0 270.284 3.526 50 0 CHAARM O=C([O-])Cc1cccc(-c2cccc(C(F)(F)F)c2)c1 ZINC000001258501 567836940 /nfs/dbraw/zinc/83/69/40/567836940.db2.gz VQRUXJYTJUYMPY-UHFFFAOYSA-N -1 0 280.245 4.000 50 0 CHAARM O=C([O-])c1cc(C2CC2)nc2ccc(Br)cc21 ZINC000001712169 567842109 /nfs/dbraw/zinc/84/21/09/567842109.db2.gz CPGMJISXVAOPHO-UHFFFAOYSA-N -1 0 292.132 3.573 50 0 CHAARM CCCCCCOc1ccc(/C=C/C(=O)[O-])cc1OC ZINC000001771497 567843529 /nfs/dbraw/zinc/84/35/29/567843529.db2.gz HNFBZVATEOWBTI-CSKARUKUSA-N -1 0 278.348 3.752 50 0 CHAARM O=C([O-])c1cc(-c2ccccn2)nc2c(Cl)cccc12 ZINC000002521465 567847343 /nfs/dbraw/zinc/84/73/43/567847343.db2.gz NUYAQQAUIUUNOM-UHFFFAOYSA-N -1 0 284.702 3.648 50 0 CHAARM O=C(c1ccc(Cl)cc1)c1cc(Cl)ccc1[O-] ZINC000002576895 567848313 /nfs/dbraw/zinc/84/83/13/567848313.db2.gz JBFNSJOFKCQBNS-UHFFFAOYSA-N -1 0 267.111 3.930 50 0 CHAARM C[C@@H](OC(=O)c1ccccc1C(=O)[O-])[C@@H](C)c1ccccc1 ZINC000003132689 567851622 /nfs/dbraw/zinc/85/16/22/567851622.db2.gz MECVHYVOTUSIFV-CHWSQXEVSA-N -1 0 298.338 3.734 50 0 CHAARM CC(=O)Oc1ccc(-c2ccc(C(=O)[O-])cc2)cc1Cl ZINC000003269654 567851921 /nfs/dbraw/zinc/85/19/21/567851921.db2.gz LTINICLCEOTVOE-UHFFFAOYSA-N -1 0 290.702 3.631 50 0 CHAARM Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)[O-])cc12 ZINC000003246428 567852072 /nfs/dbraw/zinc/85/20/72/567852072.db2.gz PQNOKMJVZJDVDG-UHFFFAOYSA-N -1 0 292.747 3.747 50 0 CHAARM O=C([O-])CSc1ccc2ccccc2c1Br ZINC000003168880 567852185 /nfs/dbraw/zinc/85/21/85/567852185.db2.gz APLQYQFWDUTNCL-UHFFFAOYSA-N -1 0 297.173 3.779 50 0 CHAARM S=c1[n-]nc(C2c3ccccc3Oc3ccccc32)o1 ZINC000004335965 567856852 /nfs/dbraw/zinc/85/68/52/567856852.db2.gz PKCQVEMMCDUHKM-UHFFFAOYSA-N -1 0 282.324 3.644 50 0 CHAARM O=C([O-])[C@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC000011994788 567862235 /nfs/dbraw/zinc/86/22/35/567862235.db2.gz NGUVKIVGNXLBQE-CYBMUJFWSA-N -1 0 262.692 3.545 50 0 CHAARM O=C([O-])c1ccc2[nH]c(-c3ccccc3Cl)nc2c1 ZINC000015022111 567870135 /nfs/dbraw/zinc/87/01/35/567870135.db2.gz PUCCNHPECQWLHX-UHFFFAOYSA-N -1 0 272.691 3.582 50 0 CHAARM CCOc1ccc(CNc2cccc(C(=O)[O-])c2C)cc1 ZINC000016578269 567873063 /nfs/dbraw/zinc/87/30/63/567873063.db2.gz CVUSJXGXZUKNKV-UHFFFAOYSA-N -1 0 285.343 3.704 50 0 CHAARM O=C1CCCCC1=C([O-])c1cccc(C(F)(F)F)c1 ZINC000019229890 567877466 /nfs/dbraw/zinc/87/74/66/567877466.db2.gz BWYSLFSOJBJMDK-NSHDSACASA-N -1 0 270.250 3.647 50 0 CHAARM CCc1ccc2nc3sc(C(=O)[O-])cc3cc2c1 ZINC000019523018 567877873 /nfs/dbraw/zinc/87/78/73/567877873.db2.gz ZCIFZNUDMJXZDI-UHFFFAOYSA-N -1 0 257.314 3.710 50 0 CHAARM O=S(=O)([O-])c1cccc2cccc(Nc3ccccc3)c21 ZINC000001532216 567893946 /nfs/dbraw/zinc/89/39/46/567893946.db2.gz FWEOQOXTVHGIFQ-UHFFFAOYSA-N -1 0 299.351 3.830 50 0 in-vivo,metabolite CHAARM O=C([O-])Cc1sc(-c2ccco2)nc1-c1cccs1 ZINC000058306430 567895867 /nfs/dbraw/zinc/89/58/67/567895867.db2.gz LPIKNNHUNBGNEZ-UHFFFAOYSA-N -1 0 291.353 3.759 50 0 CHAARM Cc1cc(-c2cccc(O)c2)nc(-c2ccccc2[O-])n1 ZINC000067947534 567901072 /nfs/dbraw/zinc/90/10/72/567901072.db2.gz AQMNBGCUSRUMCK-UHFFFAOYSA-N -1 0 278.311 3.530 50 0 CHAARM C[Si](C)(C)CCSCc1ccc(C(=O)[O-])cc1 ZINC000725246173 567908277 /nfs/dbraw/zinc/90/82/77/567908277.db2.gz RBINDWILEKTGHL-UHFFFAOYSA-N -1 0 268.454 3.956 50 0 CHAARM O=C(C=C([O-])c1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000100140877 567912216 /nfs/dbraw/zinc/91/22/16/567912216.db2.gz XAYCIVPYZDVHJM-UHFFFAOYSA-N -1 0 285.048 3.698 50 0 CHAARM COc1ccc(-c2cc(C(=O)[O-])c3ccccc3n2)c(F)c1 ZINC000000186511 567924625 /nfs/dbraw/zinc/92/46/25/567924625.db2.gz GKSQFQYTQAPBFC-UHFFFAOYSA-N -1 0 297.285 3.748 50 0 CHAARM CC(C)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)[O-] ZINC000221031856 567925593 /nfs/dbraw/zinc/92/55/93/567925593.db2.gz QLTYCOLKLOGRSB-STQMWFEESA-N -1 0 299.411 3.523 50 0 CHAARM Cc1ccccc1-n1[n-]c(-c2ccccc2)cc1=O ZINC000100070283 567935742 /nfs/dbraw/zinc/93/57/42/567935742.db2.gz DCQGNHHMNAYFGH-UHFFFAOYSA-N -1 0 250.301 3.553 50 0 CHAARM O=C([O-])c1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000011862216 570220566 /nfs/dbraw/zinc/22/05/66/570220566.db2.gz DWHCHNBZFKMVGV-UHFFFAOYSA-N -1 0 280.682 3.756 50 0 CHAARM Cc1ccc(S[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000011692837 570220053 /nfs/dbraw/zinc/22/00/53/570220053.db2.gz JZLJWNGGZNBHHR-HNNXBMFYSA-N -1 0 272.369 3.783 50 0 CHAARM CCCCCC[C@H](C)[P@](=O)([O-])c1ccccc1 ZINC000003132795 570320259 /nfs/dbraw/zinc/32/02/59/570320259.db2.gz QNZNGRLBRJBBSQ-ZDUSSCGKSA-N -1 0 254.310 3.941 50 0 CHAARM CCN(CC)C(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000001577541 570359576 /nfs/dbraw/zinc/35/95/76/570359576.db2.gz GLEINWWQSCYMIV-UHFFFAOYSA-N -1 0 297.354 3.534 50 0 CHAARM O=C([O-])CCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000013136154 570360603 /nfs/dbraw/zinc/36/06/03/570360603.db2.gz ZTLZLRBHKYPFDR-UHFFFAOYSA-N -1 0 297.314 3.905 50 0 CHAARM CC(C)=CCCC(C)C=CN=Nc1nc(C)cc(=O)[n-]1 ZINC000253534365 570360784 /nfs/dbraw/zinc/36/07/84/570360784.db2.gz NPUWDCYNVXIUFK-NSFWBEFFSA-N -1 0 274.368 3.581 50 0 CHAARM Cc1oc(-c2ccccc2)c(Br)c1C(=O)[O-] ZINC000231155710 570380835 /nfs/dbraw/zinc/38/08/35/570380835.db2.gz ZSOVIJLDVUQSCS-UHFFFAOYSA-N -1 0 281.105 3.716 50 0 CHAARM COc1ccc2nc(-c3ccc(F)cc3)cc(C(=O)[O-])c2c1 ZINC000000068953 570382242 /nfs/dbraw/zinc/38/22/42/570382242.db2.gz ALPKHODHHOVLRR-UHFFFAOYSA-N -1 0 297.285 3.748 50 0 CHAARM O=C([O-])c1ccccc1SCCOc1ccccc1 ZINC000013944176 1125513852 /nfs/dbraw/zinc/51/38/52/1125513852.db2.gz KNXMIOAEXLFVOJ-UHFFFAOYSA-N -1 0 274.341 3.556 50 0 CHAARM COc1cccc(Cl)c1-c1cccc(C(=O)[O-])c1 ZINC000314910303 1128126043 /nfs/dbraw/zinc/12/60/43/1128126043.db2.gz LKSHCVLGQQZGMO-UHFFFAOYSA-N -1 0 262.692 3.714 50 0 CHAARM O=C([O-])c1cc2c(nc1OCc1ccccc1)CCCCC2 ZINC000585134415 1120532898 /nfs/dbraw/zinc/53/28/98/1120532898.db2.gz RPGONTRPUVOPSZ-UHFFFAOYSA-N -1 0 297.354 3.628 50 0 CHAARM Cc1cc(=O)n(-c2nc(-c3cccc(Cl)c3)cs2)[n-]1 ZINC000000274925 1129741201 /nfs/dbraw/zinc/74/12/01/1129741201.db2.gz DPUGGLURFFCONT-UHFFFAOYSA-N -1 0 291.763 3.576 50 0 CHAARM CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(C(=O)[O-])s1 ZINC000114330690 1129838483 /nfs/dbraw/zinc/83/84/83/1129838483.db2.gz BOVWWZSFTTXBDQ-VIFPVBQESA-N -1 0 297.376 3.518 50 0 CHAARM O=C(C[C@H]1CC[C@H](C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000100449825 230391952 /nfs/dbraw/zinc/39/19/52/230391952.db2.gz NYTRSJIUYQSYKZ-PHIMTYICSA-N -1 0 280.751 3.804 50 0 CHAARM O=C(C[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccccc1Cl ZINC000100449805 230391965 /nfs/dbraw/zinc/39/19/65/230391965.db2.gz HCWQYJDKWBKTPF-PHIMTYICSA-N -1 0 280.751 3.804 50 0 CHAARM Cc1ccc(Cl)c(-c2ccc(CC(=O)[O-])cc2)c1 ZINC000085477263 179079889 /nfs/dbraw/zinc/07/98/89/179079889.db2.gz RHAMOIZHSSHFMJ-UHFFFAOYSA-N -1 0 260.720 3.943 50 0 CHAARM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cccc(Cl)c1 ZINC000000233222 169581860 /nfs/dbraw/zinc/58/18/60/169581860.db2.gz KXBCBTSYLYWCBL-UHFFFAOYSA-N -1 0 289.718 3.599 50 0 CHAARM CC[C@]1(C)C[C@](CC(=O)[O-])(c2ccc(C)cc2)CCO1 ZINC000000367118 169619975 /nfs/dbraw/zinc/61/99/75/169619975.db2.gz JIZLCLRKAOQRQP-SJORKVTESA-N -1 0 276.376 3.687 50 0 biogenic CHAARM Cc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000000374983 169622348 /nfs/dbraw/zinc/62/23/48/169622348.db2.gz UMWGUTJEWGFUDH-UHFFFAOYSA-N -1 0 287.793 3.511 50 0 CHAARM Cc1c(NC(=O)CCC2CCCCC2)cccc1C(=O)[O-] ZINC000000461216 169646956 /nfs/dbraw/zinc/64/69/56/169646956.db2.gz RVCJOMWENOVJIY-UHFFFAOYSA-N -1 0 289.375 3.992 50 0 CHAARM CCOc1cc(C(=O)[O-])ccc1OCc1ccc(F)cc1 ZINC000000581309 169672701 /nfs/dbraw/zinc/67/27/01/169672701.db2.gz MPSFSTAXWIVODX-UHFFFAOYSA-N -1 0 290.290 3.502 50 0 CHAARM Cc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2C)cc1C ZINC000000614216 169674985 /nfs/dbraw/zinc/67/49/85/169674985.db2.gz NGOCFRCAIQELGX-UHFFFAOYSA-N -1 0 283.327 3.562 50 0 CHAARM O=C([O-])c1ccccc1-c1ccc(OC(F)(F)F)cc1 ZINC000002528988 169803212 /nfs/dbraw/zinc/80/32/12/169803212.db2.gz JPLHXHHURMRLGR-UHFFFAOYSA-N -1 0 282.217 3.950 50 0 CHAARM O=C([O-])c1cc2c(s1)-c1cc(F)ccc1SC2 ZINC000003887715 169920430 /nfs/dbraw/zinc/92/04/30/169920430.db2.gz ABVWPIVEGZQKRM-UHFFFAOYSA-N -1 0 266.318 3.858 50 0 CHAARM Cc1sc2[n-]c(=S)[nH]c(=O)c2c1-c1ccccc1 ZINC000004801765 170019236 /nfs/dbraw/zinc/01/92/36/170019236.db2.gz GQCOGOVWFAPENF-UHFFFAOYSA-N -1 0 274.370 3.623 50 0 CHAARM CCc1c(C)nc2ccc(C)cc2c1SCC(=O)[O-] ZINC000004805454 170020024 /nfs/dbraw/zinc/02/00/24/170020024.db2.gz FFWMDPRVCBKRCV-UHFFFAOYSA-N -1 0 275.373 3.591 50 0 CHAARM CCCCn1c(=O)c2c(C)c(C)sc2[n-]c1=S ZINC000004864849 170032811 /nfs/dbraw/zinc/03/28/11/170032811.db2.gz RXPJIWZKRVZASH-UHFFFAOYSA-N -1 0 268.407 3.538 50 0 CHAARM O=C(Nc1ccccc1)c1cc(Cl)cc(Cl)c1[O-] ZINC000005483992 170103769 /nfs/dbraw/zinc/10/37/69/170103769.db2.gz JKHMLEFYWAGOQP-UHFFFAOYSA-N -1 0 282.126 3.951 50 0 CHAARM Nc1ccc(Cl)cc1Sc1ccccc1CC(=O)[O-] ZINC000006222361 170183473 /nfs/dbraw/zinc/18/34/73/170183473.db2.gz HQTOLHCISOPXMC-UHFFFAOYSA-N -1 0 293.775 3.701 50 0 CHAARM CCc1cccc([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000007057496 170265019 /nfs/dbraw/zinc/26/50/19/170265019.db2.gz CEGLVZDPMGPFFK-UHFFFAOYSA-N -1 0 295.791 3.703 50 0 CHAARM O=C([O-])c1cccc(OCc2cccc(Cl)c2)c1 ZINC000007603991 170293073 /nfs/dbraw/zinc/29/30/73/170293073.db2.gz KBJNBGAXZRIWHP-UHFFFAOYSA-N -1 0 262.692 3.617 50 0 CHAARM CCCCCCOc1ccc(CCC(=O)[O-])cc1OC ZINC000008019600 170314131 /nfs/dbraw/zinc/31/41/31/170314131.db2.gz PASMEGLJTMGRDI-UHFFFAOYSA-N -1 0 280.364 3.672 50 0 CHAARM O=C([O-])C[C@H](c1ccc(F)cc1)c1cccc(F)c1 ZINC000011629048 170428988 /nfs/dbraw/zinc/42/89/88/170428988.db2.gz AVZZAZDBRVWAMZ-CQSZACIVSA-N -1 0 262.255 3.571 50 0 CHAARM Cc1cccc(COc2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC000011897218 170457686 /nfs/dbraw/zinc/45/76/86/170457686.db2.gz DJDVQZCOIJLICF-YFHOEESVSA-N -1 0 268.312 3.672 50 0 CHAARM O=C([O-])/C(Cl)=C(\Cl)C(Cl)=C(Cl)Cl ZINC000013476779 170554540 /nfs/dbraw/zinc/55/45/40/170554540.db2.gz RQMWDQMALYNILJ-HNQUOIGGSA-N -1 0 270.326 3.646 50 0 CHAARM COc1ccc(C)cc1-c1[nH]c2ccccc2c1C(=O)[O-] ZINC000019724902 170845078 /nfs/dbraw/zinc/84/50/78/170845078.db2.gz XIRBXTCMZNCKBF-UHFFFAOYSA-N -1 0 281.311 3.850 50 0 CHAARM Cc1c(C(=O)[O-])sc2ncnc(Nc3ccc(C)cc3)c12 ZINC000020328575 171151607 /nfs/dbraw/zinc/15/16/07/171151607.db2.gz HOLDBCXSPIUCEF-UHFFFAOYSA-N -1 0 299.355 3.750 50 0 CHAARM O=C([O-])c1ccc(-c2cccc(Br)c2)cc1 ZINC000020391245 171179798 /nfs/dbraw/zinc/17/97/98/171179798.db2.gz YZCQIXZSVVFEJE-UHFFFAOYSA-N -1 0 277.117 3.814 50 0 CHAARM O=C([O-])c1ccc(-c2cc(Cl)cc(Cl)c2)nc1 ZINC000039927705 174174922 /nfs/dbraw/zinc/17/49/22/174174922.db2.gz GPUUXDZIZHGFQS-UHFFFAOYSA-N -1 0 268.099 3.754 50 0 CHAARM CC(C)(C)OC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000071863971 176280899 /nfs/dbraw/zinc/28/08/99/176280899.db2.gz CEVUYHUWKGOINS-UHFFFAOYSA-N -1 0 297.376 3.672 50 0 CHAARM CCCC[C@H](CC)COC(=O)c1ccccc1C(=O)[O-] ZINC000001529634 326794874 /nfs/dbraw/zinc/79/48/74/326794874.db2.gz DJDSLBVSSOQSLW-LBPRGKRZSA-N -1 0 278.348 3.758 50 0 endogenous,in-man CHAARM O=C([O-])c1ccccc1[S@@](=O)c1cccc2ccccc21 ZINC000017111458 326851844 /nfs/dbraw/zinc/85/18/44/326851844.db2.gz XDBBPHYBSIWYCW-OAQYLSRUSA-N -1 0 296.347 3.705 50 0 CHAARM O=C([O-])c1cccc(NC(=O)c2csc3ccccc23)c1 ZINC000004750454 534548897 /nfs/dbraw/zinc/54/88/97/534548897.db2.gz PODARTPBQOQHLN-UHFFFAOYSA-N -1 0 297.335 3.852 50 0 CHAARM O=C([O-])c1ccnc(/C=C\c2cnc(C3CCC3)s2)c1 ZINC000340590009 526400146 /nfs/dbraw/zinc/40/01/46/526400146.db2.gz HTNHJFNWZNMIOM-PLNGDYQASA-N -1 0 286.356 3.674 50 0 CHAARM CCCc1c([O-])c2ccccc2n(-c2ccccc2)c1=O ZINC000100631074 528562277 /nfs/dbraw/zinc/56/22/77/528562277.db2.gz MNICAKKRMSFVFM-UHFFFAOYSA-N -1 0 279.339 3.649 50 0 CHAARM CCCc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000521393997 566976409 /nfs/dbraw/zinc/97/64/09/566976409.db2.gz BOTQHVRHEZGMKN-UHFFFAOYSA-N -1 0 283.327 3.590 50 0 CHAARM C[C@@H](CC1CCCCC1)OC(=O)c1ccccc1C(=O)[O-] ZINC000019877581 567088926 /nfs/dbraw/zinc/08/89/26/567088926.db2.gz GMDAKJZJIZNLGS-LBPRGKRZSA-N -1 0 290.359 3.901 50 0 CHAARM CCCC[C@H](C(=O)[O-])[C@H](C)CC(=O)Nc1ccccc1 ZINC000002329723 567100007 /nfs/dbraw/zinc/10/00/07/567100007.db2.gz MRPWMJUQIHSLRT-OCCSQVGLSA-N -1 0 277.364 3.542 50 0 CHAARM O=c1c(-c2ccccc2)cnc2c(-c3ccccc3)c[n-]n21 ZINC000020807652 567136640 /nfs/dbraw/zinc/13/66/40/567136640.db2.gz HURKBRYXIUGMES-UHFFFAOYSA-N -1 0 287.322 3.769 50 0 CHAARM O=C([O-])c1cc(-c2ccc(F)cc2)nc2ccccc21 ZINC000000127966 567819045 /nfs/dbraw/zinc/81/90/45/567819045.db2.gz OSSAIQFBELCOGQ-UHFFFAOYSA-N -1 0 267.259 3.739 50 0 CHAARM O=C([O-])c1ccc(CSc2ccc(Cl)cc2)o1 ZINC000000138736 567819769 /nfs/dbraw/zinc/81/97/69/567819769.db2.gz IOKGMENCMIZSOW-UHFFFAOYSA-N -1 0 268.721 3.924 50 0 CHAARM CC(C)c1ccc(OCc2ccc(C(=O)[O-])o2)cc1 ZINC000000135495 567819776 /nfs/dbraw/zinc/81/97/76/567819776.db2.gz UUHXCKRZEMAPMU-UHFFFAOYSA-N -1 0 260.289 3.680 50 0 CHAARM O=c1cc(C(F)(F)F)[n-]c2c(Br)cccc12 ZINC000000161361 567820551 /nfs/dbraw/zinc/82/05/51/567820551.db2.gz WVDMDQACCBVSTK-UHFFFAOYSA-N -1 0 292.054 3.722 50 0 CHAARM COc1ccc(Sc2ccccc2C(=O)[O-])cc1 ZINC000000173109 567821309 /nfs/dbraw/zinc/82/13/09/567821309.db2.gz ZECGBLVFSQQYIT-UHFFFAOYSA-N -1 0 260.314 3.545 50 0 CHAARM [O-]c1c(Br)cc(Cl)cc1Br ZINC000000397592 567829123 /nfs/dbraw/zinc/82/91/23/567829123.db2.gz WYZQOLPTPZDTIF-UHFFFAOYSA-N -1 0 286.350 3.571 50 0 CHAARM O=C([O-])c1ccccc1CCc1ccc(Cl)s1 ZINC000000480880 567832587 /nfs/dbraw/zinc/83/25/87/567832587.db2.gz RGGVCVBICZRLTQ-UHFFFAOYSA-N -1 0 266.749 3.885 50 0 CHAARM Cc1nc(Nc2cccc(Cl)c2)sc1C(=O)[O-] ZINC000000873558 567835097 /nfs/dbraw/zinc/83/50/97/567835097.db2.gz UTWVBJXJLDVSEH-UHFFFAOYSA-N -1 0 268.725 3.547 50 0 CHAARM O=P([O-])(OCc1ccccc1)OCc1ccccc1 ZINC000001655964 567840416 /nfs/dbraw/zinc/84/04/16/567840416.db2.gz HDFFVHSMHLDSLO-UHFFFAOYSA-N -1 0 278.244 3.520 50 0 in-vitro CHAARM COc1ccc(Nc2cc(Cl)ccc2C(=O)[O-])cc1 ZINC000001672461 567841058 /nfs/dbraw/zinc/84/10/58/567841058.db2.gz KAERBVZTGPZZHW-UHFFFAOYSA-N -1 0 277.707 3.790 50 0 CHAARM O=C([O-])CCCCC(=O)c1ccc(Cl)cc1Cl ZINC000002579925 567848303 /nfs/dbraw/zinc/84/83/03/567848303.db2.gz JUQCJIWPKSJLQQ-UHFFFAOYSA-N -1 0 275.131 3.821 50 0 CHAARM O=C([O-])CCCCCC(=O)c1ccccc1Br ZINC000002567377 567848353 /nfs/dbraw/zinc/84/83/53/567848353.db2.gz CMMPZWZOLAWOLX-UHFFFAOYSA-N -1 0 299.164 3.667 50 0 CHAARM O=C([O-])c1c2cc(F)ccc2nc2c1CCc1ccccc1-2 ZINC000004130315 567855283 /nfs/dbraw/zinc/85/52/83/567855283.db2.gz DHPOTFFYENMTRB-UHFFFAOYSA-N -1 0 293.297 3.838 50 0 CHAARM Cc1cc(Cl)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000004377473 567857532 /nfs/dbraw/zinc/85/75/32/567857532.db2.gz ISTYRCJCZVHXDU-UHFFFAOYSA-N -1 0 276.719 3.926 50 0 CHAARM Cc1c2cc(Cl)cc(Br)c2oc1C(=O)[O-] ZINC000011920438 567862386 /nfs/dbraw/zinc/86/23/86/567862386.db2.gz ORWIALWRQZLXAE-UHFFFAOYSA-N -1 0 289.512 3.855 50 0 CHAARM Cc1[n-]n(-c2cccc(C)c2)c(=O)c1CCc1ccccc1 ZINC000013571543 567866542 /nfs/dbraw/zinc/86/65/42/567866542.db2.gz KQSQGKHENUUABA-UHFFFAOYSA-N -1 0 292.382 3.568 50 0 CHAARM Cc1ccc(NC(=S)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000013795596 567867776 /nfs/dbraw/zinc/86/77/76/567867776.db2.gz XIMVRVPZRHUZDC-UHFFFAOYSA-N -1 0 286.356 3.502 50 0 CHAARM CCCCc1ccc(C(=O)C[C@H](C)CC(=O)[O-])cc1 ZINC000015441771 567870507 /nfs/dbraw/zinc/87/05/07/567870507.db2.gz JIJAHSARWNVTJE-LBPRGKRZSA-N -1 0 262.349 3.713 50 0 CHAARM O=C([O-])c1cc(-c2ccc(-c3ccccc3)cc2)on1 ZINC000020081476 567880945 /nfs/dbraw/zinc/88/09/45/567880945.db2.gz BNXVUFWYOPFLPL-UHFFFAOYSA-N -1 0 265.268 3.707 50 0 CHAARM Cc1cc(C)c(NC(=O)CC(C)(C)CC(=O)[O-])c(Cl)c1 ZINC000024993022 567882787 /nfs/dbraw/zinc/88/27/87/567882787.db2.gz JTYJWTKFOXGWOX-UHFFFAOYSA-N -1 0 297.782 3.786 50 0 CHAARM CCc1ccccc1NCc1cccc(C(=O)[O-])c1 ZINC000041570562 567891245 /nfs/dbraw/zinc/89/12/45/567891245.db2.gz HZIIQYWFCKCCOK-UHFFFAOYSA-N -1 0 255.317 3.559 50 0 CHAARM O=C([O-])c1ccc(-c2c(F)cccc2F)cc1Cl ZINC000065350455 567898518 /nfs/dbraw/zinc/89/85/18/567898518.db2.gz VQDVFCVHUARFIO-UHFFFAOYSA-N -1 0 268.646 3.983 50 0 CHAARM O=C([O-])c1ccc(-c2cc(F)cc(Cl)c2)c(F)c1 ZINC000065351289 567898681 /nfs/dbraw/zinc/89/86/81/567898681.db2.gz VLBASAJZSPEHPF-UHFFFAOYSA-N -1 0 268.646 3.983 50 0 CHAARM CSc1ccccc1-c1ccc(C(=O)[O-])cc1F ZINC000065350816 567898721 /nfs/dbraw/zinc/89/87/21/567898721.db2.gz UXVKDWAWWSHTRY-UHFFFAOYSA-N -1 0 262.305 3.913 50 0 CHAARM O=C([O-])[C@H](Cc1ccc(O)cc1)c1cccc2ccccc21 ZINC000071772156 567902021 /nfs/dbraw/zinc/90/20/21/567902021.db2.gz ZKRUCPOTLVEBGO-GOSISDBHSA-N -1 0 292.334 3.956 50 0 CHAARM O=C([O-])c1cccc2ccc(-c3cccnc3Cl)nc21 ZINC000071788763 567902094 /nfs/dbraw/zinc/90/20/94/567902094.db2.gz WJHZVLWHZQJNIS-UHFFFAOYSA-N -1 0 284.702 3.648 50 0 CHAARM Cc1ccc(-c2c(C(=O)[O-])cnn2-c2ccccc2)cc1 ZINC000075419363 567903981 /nfs/dbraw/zinc/90/39/81/567903981.db2.gz XZCLJDMHZOAYNW-UHFFFAOYSA-N -1 0 278.311 3.546 50 0 CHAARM CCn1c(=O)c2sc(-c3ccccc3)cc2[n-]c1=S ZINC000015829491 567904056 /nfs/dbraw/zinc/90/40/56/567904056.db2.gz AMEJZTRCZQMRTH-UHFFFAOYSA-N -1 0 288.397 3.807 50 0 CHAARM CC(C)=CCc1c(C)nc2ccccc2c1C(=O)[O-] ZINC000000051136 567906037 /nfs/dbraw/zinc/90/60/37/567906037.db2.gz KUTCEDHTXCJAPK-UHFFFAOYSA-N -1 0 255.317 3.750 50 0 CHAARM Cc1[n-]n(-c2ccccc2)c(=O)c1CCc1ccccc1 ZINC000100072428 567912088 /nfs/dbraw/zinc/91/20/88/567912088.db2.gz WYUPAUQHSOCOKC-UHFFFAOYSA-N -1 0 278.355 3.672 50 0 CHAARM CCCCc1c(C)[n-]n(-c2nc3ccccc3s2)c1=O ZINC000100068853 567912177 /nfs/dbraw/zinc/91/21/77/567912177.db2.gz LXYOMNFVXNRHBM-UHFFFAOYSA-N -1 0 287.388 3.839 50 0 CHAARM CC(=O)C(Sc1ccccc1)=C([O-])c1ccccc1 ZINC000100658190 567913600 /nfs/dbraw/zinc/91/36/00/567913600.db2.gz ZTGXKGGOORUUBD-MRXNPFEDSA-N -1 0 270.353 3.619 50 0 CHAARM O=c1cc(-c2ccc(Cl)cc2)oc2cc([O-])ccc12 ZINC000000108634 567929453 /nfs/dbraw/zinc/92/94/53/567929453.db2.gz OFHGICWRYGZKGX-UHFFFAOYSA-N -1 0 272.687 3.819 50 0 biogenic CHAARM CC[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000000621069 567936817 /nfs/dbraw/zinc/93/68/17/567936817.db2.gz VIZQRBBDKZBTNE-HNNXBMFYSA-N -1 0 283.327 3.517 50 0 CHAARM CC[C@@H](C(=O)Nc1ccccc1C(=O)[O-])c1ccccc1 ZINC000000621171 567936835 /nfs/dbraw/zinc/93/68/35/567936835.db2.gz AVWXAXAJRWROND-CYBMUJFWSA-N -1 0 283.327 3.517 50 0 CHAARM CCCc1c(C)nc2c(-c3ccccc3)c(C)[n-]n2c1=O ZINC000102800991 567942288 /nfs/dbraw/zinc/94/22/88/567942288.db2.gz FMAYCRMTYNBHKV-UHFFFAOYSA-N -1 0 281.359 3.671 50 0 CHAARM CC(C)[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000011628861 570219782 /nfs/dbraw/zinc/21/97/82/570219782.db2.gz KRUVSXKUNSQVEN-NSHDSACASA-N -1 0 271.154 3.663 50 0 CHAARM COc1ccc(-c2nc(C)ncc2-c2ccccc2)c(O)c1 ZINC000084459868 570253181 /nfs/dbraw/zinc/25/31/81/570253181.db2.gz OBLPRGCSVQRQRW-UHFFFAOYSA-N -1 0 292.338 3.833 50 0 CHAARM O=C(Nc1nncs1)c1ccc(-c2ccccc2)cc1F ZINC000047075139 570290706 /nfs/dbraw/zinc/29/07/06/570290706.db2.gz JFZUFXSINNKEOM-UHFFFAOYSA-N -1 0 299.330 3.597 50 0 CHAARM CCC[C@H](CCC(=O)Nc1ccccc1Cl)C(=O)[O-] ZINC000002375136 570392291 /nfs/dbraw/zinc/39/22/91/570392291.db2.gz YWVNKUQFMDBZNW-SNVBAGLBSA-N -1 0 283.755 3.560 50 0 CHAARM Cc1[n-]n2c(nc(C(C)C)cc2=O)c1-c1ccc(F)cc1 ZINC000100163321 1119026271 /nfs/dbraw/zinc/02/62/71/1119026271.db2.gz YTUTVKJXGNIZOF-UHFFFAOYSA-N -1 0 285.322 3.673 50 0 CHAARM Cc1[n-]n2c(nc(C(C)(C)C)cc2=O)c1-c1ccccc1 ZINC000101028824 1120113266 /nfs/dbraw/zinc/11/32/66/1120113266.db2.gz YKHYRTQNOMSHBV-UHFFFAOYSA-N -1 0 281.359 3.708 50 0 CHAARM S=C1[N-][C@@H](c2ccccc2)N[C@H](c2ccccc2)S1 ZINC000025667016 1120775493 /nfs/dbraw/zinc/77/54/93/1120775493.db2.gz PPCOHTPXMURTDH-KBPBESRZSA-N -1 0 286.425 3.595 50 0 in-vitro CHAARM S=C1[N-][C@H](c2ccccc2)N[C@@H](c2ccccc2)S1 ZINC000025667009 1120775595 /nfs/dbraw/zinc/77/55/95/1120775595.db2.gz PPCOHTPXMURTDH-ZIAGYGMSSA-N -1 0 286.425 3.595 50 0 in-vitro CHAARM Cc1nc(=O)c2sc3nc(-c4ccccc4)ccc3c2[n-]1 ZINC000033268229 1129283495 /nfs/dbraw/zinc/28/34/95/1129283495.db2.gz PVQKRCSDUPRPLB-UHFFFAOYSA-N -1 0 293.351 3.508 50 0 CHAARM CCOc1cccc(/C=C\C(=O)[O-])c1OC1CCCC1 ZINC000095911092 185031162 /nfs/dbraw/zinc/03/11/62/185031162.db2.gz YSXIQHFXAJEJJY-KHPPLWFESA-N -1 0 276.332 3.505 50 0 CHAARM O=C([O-])[C@@H](Sc1nncc2ccccc21)c1ccccc1 ZINC000000128026 169545999 /nfs/dbraw/zinc/54/59/99/169545999.db2.gz NBDVCFGPFZHFGK-AWEZNQCLSA-N -1 0 296.351 3.548 50 0 CHAARM O=C([O-])Cc1ccc(-c2cccc(C(F)(F)F)c2)cc1 ZINC000001257541 169692995 /nfs/dbraw/zinc/69/29/95/169692995.db2.gz YVYDJMPAMHYFPY-UHFFFAOYSA-N -1 0 280.245 4.000 50 0 CHAARM O=C([O-])c1ccc(-n2cc(-c3ccc(Cl)cc3)cn2)cc1 ZINC000001502402 169710345 /nfs/dbraw/zinc/71/03/45/169710345.db2.gz CSDGKFGDWSKXIS-UHFFFAOYSA-N -1 0 298.729 3.891 50 0 CHAARM O=C([O-])C1=C2CCCCCC[C@@H]2Nc2ccccc21 ZINC000001459889 169707118 /nfs/dbraw/zinc/70/71/18/169707118.db2.gz JXQDFBLZEKQTOX-ZDUSSCGKSA-N -1 0 257.333 3.673 50 0 CHAARM O=C([O-])[C@@H]1CCCC[C@H]1c1nc2ccccc2s1 ZINC000004205789 169944159 /nfs/dbraw/zinc/94/41/59/169944159.db2.gz UYUNBKRWYMGAKX-NXEZZACHSA-N -1 0 261.346 3.655 50 0 CHAARM Nc1c(C(=O)[O-])sc(C(F)(F)F)c1-c1ccccc1 ZINC000004289148 169953339 /nfs/dbraw/zinc/95/33/39/169953339.db2.gz BPFFXVCOJJGNQU-UHFFFAOYSA-N -1 0 287.262 3.714 50 0 CHAARM O=C([O-])c1ccc(-c2ccc(C(F)(F)F)cc2)o1 ZINC000004294436 169954418 /nfs/dbraw/zinc/95/44/18/169954418.db2.gz NFALWHMESUMVKK-UHFFFAOYSA-N -1 0 256.179 3.664 50 0 CHAARM CCc1c(C)nc2c(C)cccc2c1SCC(=O)[O-] ZINC000004674075 169996751 /nfs/dbraw/zinc/99/67/51/169996751.db2.gz IFEPIBYGTWFXTC-UHFFFAOYSA-N -1 0 275.373 3.591 50 0 CHAARM Cc1cc(Cl)ccc1NC(=O)c1ccccc1C(=O)[O-] ZINC000004764853 170013387 /nfs/dbraw/zinc/01/33/87/170013387.db2.gz GFWXXEUOKBFFLV-UHFFFAOYSA-N -1 0 289.718 3.599 50 0 CHAARM O=C([O-])CCCC(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000004854621 170031085 /nfs/dbraw/zinc/03/10/85/170031085.db2.gz OSEYXZGLXVPXBG-UHFFFAOYSA-N -1 0 297.310 3.779 50 0 CHAARM Cc1ccc(C(=O)[O-])cc1NCc1ccc(Cl)cc1 ZINC000004865910 170032974 /nfs/dbraw/zinc/03/29/74/170032974.db2.gz AIRFRPNYWUOPJF-UHFFFAOYSA-N -1 0 275.735 3.959 50 0 CHAARM CCc1ccc(-c2csc(-n3[n-]c(C)c(C)c3=O)n2)cc1 ZINC000005046931 170061003 /nfs/dbraw/zinc/06/10/03/170061003.db2.gz VASJPLKJADJPMP-JTQLQIEISA-N -1 0 299.399 3.731 50 0 CHAARM COc1ccc(C)cc1[C@@H](CC(=O)[O-])c1ccccc1 ZINC000005542832 170111099 /nfs/dbraw/zinc/11/10/99/170111099.db2.gz KSLPLDLDQANKOD-AWEZNQCLSA-N -1 0 270.328 3.610 50 0 in-vitro CHAARM O=C([O-])c1cc(Cl)ccc1OCc1cccc(F)c1 ZINC000007603965 170292663 /nfs/dbraw/zinc/29/26/63/170292663.db2.gz YPQYZGILZDOKRT-UHFFFAOYSA-N -1 0 280.682 3.756 50 0 CHAARM O=C([O-])c1ccccc1C(=O)c1cccc(C(F)(F)F)c1 ZINC000008393110 170334889 /nfs/dbraw/zinc/33/48/89/170334889.db2.gz NOGVBNADQLELOC-UHFFFAOYSA-N -1 0 294.228 3.635 50 0 CHAARM Cc1ccc(OC(=S)[N-]c2ccc(F)cc2)cc1 ZINC000008686028 170345452 /nfs/dbraw/zinc/34/54/52/170345452.db2.gz UKXGFVBMECMNFZ-UHFFFAOYSA-N -1 0 261.321 3.910 50 0 CHAARM Cc1ccc(C)c(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000008705959 170348131 /nfs/dbraw/zinc/34/81/31/170348131.db2.gz QJIYQNJMKHRLCF-HNNXBMFYSA-N -1 0 297.354 3.500 50 0 CHAARM CCC(CC)(Cc1nc2ccccc2s1)C(=O)[O-] ZINC000009690948 170384289 /nfs/dbraw/zinc/38/42/89/170384289.db2.gz KXUPBZWVXOBHOJ-UHFFFAOYSA-N -1 0 263.362 3.730 50 0 CHAARM Cc1cccc(O[C@H](C(=O)[O-])c2ccccc2)c1C ZINC000011802688 170442272 /nfs/dbraw/zinc/44/22/72/170442272.db2.gz NCJUMOCHHRWLKH-HNNXBMFYSA-N -1 0 256.301 3.508 50 0 CHAARM O=C([O-])c1ccc(Cl)c(NCc2ccc(F)cc2)c1 ZINC000016577551 170702106 /nfs/dbraw/zinc/70/21/06/170702106.db2.gz LDXUCTSBORLLQI-UHFFFAOYSA-N -1 0 279.698 3.789 50 0 CHAARM Cc1c(C(=O)[O-])sc2ncnc(Nc3cccc(C)c3)c12 ZINC000020328463 171151882 /nfs/dbraw/zinc/15/18/82/171151882.db2.gz OTLTZWQBUQMZQQ-UHFFFAOYSA-N -1 0 299.355 3.750 50 0 CHAARM O=C([O-])CC(Cc1ccccc1)Cc1ccccc1 ZINC000020563978 171253106 /nfs/dbraw/zinc/25/31/06/171253106.db2.gz RACFIUFPANWJHA-UHFFFAOYSA-N -1 0 254.329 3.563 50 0 CHAARM Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C(=O)[O-] ZINC000022000566 171348254 /nfs/dbraw/zinc/34/82/54/171348254.db2.gz YLDCVMXOMGMKIA-UHFFFAOYSA-N -1 0 287.262 3.836 50 0 CHAARM O=C([O-])C[C@@H](c1ccccc1)c1ccc(F)c(F)c1 ZINC000036173455 172493156 /nfs/dbraw/zinc/49/31/56/172493156.db2.gz CJNSEIUQORLUMK-LBPRGKRZSA-N -1 0 262.255 3.571 50 0 CHAARM Cc1cc(C(C)(C)C)cc(C)c1C(=O)CCC(=O)[O-] ZINC000043214205 174984550 /nfs/dbraw/zinc/98/45/50/174984550.db2.gz GGDUQPNIHAQRRY-UHFFFAOYSA-N -1 0 262.349 3.648 50 0 CHAARM COc1ccc(-c2ccc(/C=C/C(=O)[O-])o2)cc1Cl ZINC000044201242 175153751 /nfs/dbraw/zinc/15/37/51/175153751.db2.gz AAVSRCHQLFKKOU-QPJJXVBHSA-N -1 0 278.691 3.706 50 0 CHAARM COc1cc(Cl)ccc1-c1ccc(C(=O)[O-])cc1F ZINC000065354157 175720419 /nfs/dbraw/zinc/72/04/19/175720419.db2.gz NTPHDXJBZNTXRR-UHFFFAOYSA-N -1 0 280.682 3.853 50 0 CHAARM Fc1ccccc1[N-]c1nc(-c2ccccc2)no1 ZINC000071928157 176302178 /nfs/dbraw/zinc/30/21/78/176302178.db2.gz ZXWSCWLYQSTYKA-UHFFFAOYSA-N -1 0 255.252 3.619 50 0 CHAARM CCC[C@@H](C(=O)[O-])[C@@H](C)CC(=O)Nc1ccccc1Cl ZINC000001874015 528849249 /nfs/dbraw/zinc/84/92/49/528849249.db2.gz ANUOYPJLLANBOF-WDEREUQCSA-N -1 0 297.782 3.806 50 0 CHAARM CC(C)(C)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000003335616 566849351 /nfs/dbraw/zinc/84/93/51/566849351.db2.gz AUWSTVHDQUESCW-UHFFFAOYSA-N -1 0 295.429 3.846 50 0 CHAARM O=[P@@]([O-])(O)[C@@H](Nc1ccccc1)c1ccc(Cl)cc1 ZINC000065475843 567007710 /nfs/dbraw/zinc/00/77/10/567007710.db2.gz ZFFFHKYAHRMQJM-CYBMUJFWSA-N -1 0 297.678 3.628 50 0 CHAARM O=C([O-])c1cnc(/C=C\c2ccc3ncccc3c2)s1 ZINC000096189863 567138942 /nfs/dbraw/zinc/13/89/42/567138942.db2.gz LCTRRBUSEFERBM-XQRVVYSFSA-N -1 0 282.324 3.560 50 0 CHAARM O=C([O-])[C@]1(c2ccccc2)CC[C@H](Nc2ccccc2)C1 ZINC000004006694 567181859 /nfs/dbraw/zinc/18/18/59/567181859.db2.gz HTLWNNFFJOTFAH-FUHWJXTLSA-N -1 0 281.355 3.674 50 0 CHAARM Cc1ccc(-c2csc([N-]c3ncccn3)n2)cc1C ZINC000067321705 567197382 /nfs/dbraw/zinc/19/73/82/567197382.db2.gz WCBHZDXWCHWVCD-UHFFFAOYSA-N -1 0 282.372 3.961 50 0 CHAARM O=C([O-])CCn1c2ccccc2nc1C1CCCCC1 ZINC000000084990 567817733 /nfs/dbraw/zinc/81/77/33/567817733.db2.gz RLVPNSMMTGHJBC-UHFFFAOYSA-N -1 0 272.348 3.559 50 0 CHAARM CCc1nc([N-]c2nc3ccccc3o2)nc2c1CCCC2 ZINC000000317100 567825226 /nfs/dbraw/zinc/82/52/26/567825226.db2.gz LSPUMCUSIQEBTB-UHFFFAOYSA-N -1 0 294.358 3.803 50 0 CHAARM O=C([O-])c1ccc(COc2cccc(Cl)c2Cl)o1 ZINC000000373418 567827651 /nfs/dbraw/zinc/82/76/51/567827651.db2.gz DGUXQMFHNWGUES-UHFFFAOYSA-N -1 0 287.098 3.864 50 0 in-vitro CHAARM CC(C)[C@@H](OC(=O)c1ccccc1C(=O)[O-])c1ccccc1 ZINC000000391630 567828662 /nfs/dbraw/zinc/82/86/62/567828662.db2.gz DHBXEZUAFMPFNK-MRXNPFEDSA-N -1 0 298.338 3.939 50 0 CHAARM Cc1ccc(NCc2n[n-]c(=S)n2-c2ccccc2)cc1 ZINC000000483439 567832666 /nfs/dbraw/zinc/83/26/66/567832666.db2.gz XCURPCTUTXFGJK-UHFFFAOYSA-N -1 0 296.399 3.850 50 0 CHAARM O=C([O-])c1cccc(NCc2c(F)cccc2Cl)c1 ZINC000000505471 567833050 /nfs/dbraw/zinc/83/30/50/567833050.db2.gz KWKIPNMZGMOLII-UHFFFAOYSA-N -1 0 279.698 3.789 50 0 CHAARM Cc1oc2c(C)c([O-])ccc2c(=O)c1-c1ccccc1 ZINC000002576210 567848367 /nfs/dbraw/zinc/84/83/67/567848367.db2.gz WZQQSYMJMNJLEN-UHFFFAOYSA-N -1 0 266.296 3.782 50 0 CHAARM O=C([O-])c1ccccc1OCc1ccc(Cl)cc1 ZINC000003243304 567852139 /nfs/dbraw/zinc/85/21/39/567852139.db2.gz UMIRGIHRCRAJPI-UHFFFAOYSA-N -1 0 262.692 3.617 50 0 CHAARM C[C@@H](C(=O)[O-])[C@@H](C(=O)c1ccccc1)c1ccc(F)cc1 ZINC000004110397 567855311 /nfs/dbraw/zinc/85/53/11/567855311.db2.gz LESZDLMKMPPZLG-IAQYHMDHSA-N -1 0 286.302 3.513 50 0 CHAARM Cc1nc(-c2cccc(Br)c2)ccc1C(=O)[O-] ZINC000004218952 567855849 /nfs/dbraw/zinc/85/58/49/567855849.db2.gz RYEWOJILRDBBDR-UHFFFAOYSA-N -1 0 292.132 3.518 50 0 CHAARM O=C([O-])Cc1c2ccccc2[nH]c1-c1cccs1 ZINC000004207445 567855980 /nfs/dbraw/zinc/85/59/80/567855980.db2.gz XIOJJFZMRZMUDZ-UHFFFAOYSA-N -1 0 257.314 3.524 50 0 CHAARM CC1(C)O[C@](CC(=O)[O-])(c2ccccc2)c2ccccc21 ZINC000005191471 567859554 /nfs/dbraw/zinc/85/95/54/567859554.db2.gz XZDWFIPVXCBFHL-GOSISDBHSA-N -1 0 282.339 3.670 50 0 CHAARM Cc1ccc(Nc2nnc(-c3ccccc3)c(=O)[n-]2)cc1C ZINC000016806943 567873681 /nfs/dbraw/zinc/87/36/81/567873681.db2.gz JCWXFWBXOLMWGL-UHFFFAOYSA-N -1 0 292.342 3.605 50 0 CHAARM O=C([O-])c1ccc(Oc2cccc(Cl)c2Cl)nc1 ZINC000019810364 567879186 /nfs/dbraw/zinc/87/91/86/567879186.db2.gz QHWZEPWFSIPEBN-UHFFFAOYSA-N -1 0 284.098 3.879 50 0 CHAARM CC(C)Oc1nc(-c2ccccc2[O-])nc2ccccc21 ZINC000013129907 567882398 /nfs/dbraw/zinc/88/23/98/567882398.db2.gz LJHVDKUWDATTSQ-UHFFFAOYSA-N -1 0 280.327 3.790 50 0 CHAARM CC(C)(C)C(=O)C=C([O-])c1ccc(Br)cc1 ZINC000003876596 567884494 /nfs/dbraw/zinc/88/44/94/567884494.db2.gz IPKDKQUFCKJJIH-UHFFFAOYSA-N -1 0 283.165 3.637 50 0 CHAARM O=C([O-])[C@@H]1CC=CC[C@H]1c1cccc2ccccc21 ZINC000000758970 567887918 /nfs/dbraw/zinc/88/79/18/567887918.db2.gz WLIGHINCHMOBJZ-JKSUJKDBSA-N -1 0 252.313 3.974 50 0 CHAARM C[C@@H](SCc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000036965565 567889891 /nfs/dbraw/zinc/88/98/91/567889891.db2.gz XQNVKJQDDKBJFO-MRVPVSSYSA-N -1 0 297.763 3.701 50 0 CHAARM O=C([O-])CCCCCC(=O)c1ccc(F)cc1Cl ZINC000043214157 567892278 /nfs/dbraw/zinc/89/22/78/567892278.db2.gz LSEMNWKDHWBIOI-UHFFFAOYSA-N -1 0 272.703 3.697 50 0 CHAARM Cc1cc(C)c(C)c(C(=O)C[C@@H](C)CC(=O)[O-])c1C ZINC000043214267 567892462 /nfs/dbraw/zinc/89/24/62/567892462.db2.gz AFWWWMYRYICETD-SECBINFHSA-N -1 0 262.349 3.604 50 0 CHAARM O=C(Cc1ccccc1Cl)c1cc(Cl)c([O-])cc1O ZINC000064220081 567897859 /nfs/dbraw/zinc/89/78/59/567897859.db2.gz AWASAMCTUCDDGK-UHFFFAOYSA-N -1 0 297.137 3.830 50 0 CHAARM O=Cc1ccc(-c2cc(Cl)ccc2C(=O)[O-])cc1 ZINC000065349760 567898517 /nfs/dbraw/zinc/89/85/17/567898517.db2.gz XFSIDDHHIXPRNR-UHFFFAOYSA-N -1 0 260.676 3.518 50 0 CHAARM O=Cc1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000065349758 567898587 /nfs/dbraw/zinc/89/85/87/567898587.db2.gz ABOXDRBKMYWVIH-UHFFFAOYSA-N -1 0 260.676 3.518 50 0 CHAARM COc1ccc2c(c1)CCC1=C2CC[C@H](C(=O)[O-])[C@@H]1C ZINC000001670316 567907920 /nfs/dbraw/zinc/90/79/20/567907920.db2.gz LSKSKLUVAZWZLX-YGRLFVJLSA-N -1 0 272.344 3.526 50 0 CHAARM O=C([O-])c1c(-c2ccc(F)cc2F)coc1C(F)(F)F ZINC000725245818 567908160 /nfs/dbraw/zinc/90/81/60/567908160.db2.gz IIFZQRLQNOTLBC-UHFFFAOYSA-N -1 0 292.159 3.942 50 0 CHAARM Cc1cc2[n-]c(=S)oc2c(-n2nc3ccccc3n2)c1 ZINC000095098751 567909187 /nfs/dbraw/zinc/90/91/87/567909187.db2.gz ZAULQVDMLNFNTM-UHFFFAOYSA-N -1 0 282.328 3.533 50 0 CHAARM O=c1cc(-c2ccccc2)nc2cc(-c3ccccc3)[n-]n21 ZINC000100576048 567913515 /nfs/dbraw/zinc/91/35/15/567913515.db2.gz RXHGAICQTIKZHH-UHFFFAOYSA-N -1 0 287.322 3.769 50 0 CHAARM O=C(C=C([O-])c1cccc(F)c1)c1cc(Cl)ccc1O ZINC000100590013 567913528 /nfs/dbraw/zinc/91/35/28/567913528.db2.gz IAYZJBXKYNHXMK-UHFFFAOYSA-N -1 0 292.693 3.640 50 0 CHAARM CC(C)CC[C@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)[O-] ZINC000221031910 567925696 /nfs/dbraw/zinc/92/56/96/567925696.db2.gz QLTYCOLKLOGRSB-OLZOCXBDSA-N -1 0 299.411 3.523 50 0 CHAARM CCc1oc2cc([O-])ccc2c(=O)c1-c1ccccc1OC ZINC000000314076 567926737 /nfs/dbraw/zinc/92/67/37/567926737.db2.gz QSLWUBDWAKVULT-UHFFFAOYSA-N -1 0 296.322 3.737 50 0 biogenic CHAARM CCCCOc1ccc(Br)cc1/C=C/C(=O)[O-] ZINC000011797456 567928345 /nfs/dbraw/zinc/92/83/45/567928345.db2.gz GZMPNPLBFRWYOE-QPJJXVBHSA-N -1 0 299.164 3.726 50 0 CHAARM COc1ccc2c(c1)c(C(=O)[O-])c(C)n2-c1ccccc1 ZINC000000502390 567940699 /nfs/dbraw/zinc/94/06/99/567940699.db2.gz ZIPZPELKAMHRTM-UHFFFAOYSA-N -1 0 281.311 3.646 50 0 CHAARM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cc2ccccc2o1 ZINC000013169871 567941371 /nfs/dbraw/zinc/94/13/71/567941371.db2.gz MMACYUVXMNXBTA-UHFFFAOYSA-N -1 0 295.294 3.692 50 0 CHAARM Cc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cccs1 ZINC000000813752 567948340 /nfs/dbraw/zinc/94/83/40/567948340.db2.gz OZPWKUIKOXIKBM-UHFFFAOYSA-N -1 0 295.429 3.981 50 0 CHAARM O=C([O-])c1ccc(OCCSc2ccccc2)cc1 ZINC000011861415 570220684 /nfs/dbraw/zinc/22/06/84/570220684.db2.gz TVGPIFMJUMDRQP-UHFFFAOYSA-N -1 0 274.341 3.556 50 0 CHAARM O=C([O-])c1ccc(Sc2ccc(Br)cc2)o1 ZINC000026442165 570232405 /nfs/dbraw/zinc/23/24/05/570232405.db2.gz FFMLOMBVALCYAM-UHFFFAOYSA-N -1 0 299.145 3.892 50 0 CHAARM O=C([O-])c1c2c(nc3ccccc31)-c1ccccc1C2 ZINC000000127617 570341999 /nfs/dbraw/zinc/34/19/99/570341999.db2.gz VVCCVYMFSIACNJ-UHFFFAOYSA-N -1 0 261.280 3.504 50 0 CHAARM O=C([O-])c1ccc(OCCc2ccc(Cl)cc2)cc1 ZINC000041416334 957389154 /nfs/dbraw/zinc/38/91/54/957389154.db2.gz NPOXHVPKWAPRGP-UHFFFAOYSA-N -1 0 276.719 3.660 50 0 CHAARM O=C([O-])c1occc1/C=C\c1ccc2ccccc2n1 ZINC000097046509 958341648 /nfs/dbraw/zinc/34/16/48/958341648.db2.gz WVTJOGRFLHQQTG-VURMDHGXSA-N -1 0 265.268 3.696 50 0 CHAARM Cc1nsc([N-]c2cnn(CC(C)C)c2C(C)C)n1 ZINC000678406927 1128350982 /nfs/dbraw/zinc/35/09/82/1128350982.db2.gz MMOYHMSRBJZFNK-UHFFFAOYSA-N -1 0 279.413 3.566 50 0 CHAARM O=C([O-])[C@H]1CCC[C@@H](CC(=O)c2cccc(Cl)c2)C1 ZINC000002378421 1117843899 /nfs/dbraw/zinc/84/38/99/1117843899.db2.gz DFBMXSVOJDRHTE-PWSUYJOCSA-N -1 0 280.751 3.804 50 0 CHAARM CCCCOc1ccc(C2(C(=O)[O-])CCCC2)cc1 ZINC000002968307 1118391161 /nfs/dbraw/zinc/39/11/61/1118391161.db2.gz XFGNHYKCXUMMHD-UHFFFAOYSA-N -1 0 262.349 3.762 50 0 CHAARM O=C([O-])C1(c2ccccc2Br)CCCCC1 ZINC000055336232 1118476827 /nfs/dbraw/zinc/47/68/27/1118476827.db2.gz JOBPBLUXMVBAQM-UHFFFAOYSA-N -1 0 283.165 3.736 50 0 CHAARM O=C([O-])c1cc(-c2ccnc(C(F)F)c2)ccc1F ZINC000725273456 1119100741 /nfs/dbraw/zinc/10/07/41/1119100741.db2.gz DQKYHHATFXTAAC-UHFFFAOYSA-N -1 0 267.206 3.524 50 0 CHAARM Cc1cc(Nc2ccc(C(=O)[O-])cc2)nc2ccccc12 ZINC000000324405 1120736155 /nfs/dbraw/zinc/73/61/55/1120736155.db2.gz VVHZQIVZAGMFSJ-UHFFFAOYSA-N -1 0 278.311 3.985 50 0 CHAARM COc1cccc(Cl)c1-c1ccc(C(=O)[O-])cc1 ZINC000314961495 1120984830 /nfs/dbraw/zinc/98/48/30/1120984830.db2.gz UVAGRNBPPFXYAL-UHFFFAOYSA-N -1 0 262.692 3.714 50 0 CHAARM CC(=O)c1c(C)[nH]c(N=Nc2cccc(C(=O)[O-])c2)c1C ZINC000254753375 1129708947 /nfs/dbraw/zinc/70/89/47/1129708947.db2.gz ZOSPVPUJOQGNSM-UHFFFAOYSA-N -1 0 285.303 3.948 50 0 CHAARM O=C([O-])c1ccc(COc2cccc(Cl)c2)cc1 ZINC000002576714 169812561 /nfs/dbraw/zinc/81/25/61/169812561.db2.gz WZQPLLGVPRSMBD-UHFFFAOYSA-N -1 0 262.692 3.617 50 0 CHAARM COc1ccc(C[C@H]2CC[C@](C)(C(=O)[O-])C2(C)C)cc1 ZINC000071785222 184577473 /nfs/dbraw/zinc/57/74/73/184577473.db2.gz HFBQJGGFNBRKDN-CXAGYDPISA-N -1 0 276.376 3.765 50 0 CHAARM O=C([O-])CCCCCCC(=O)c1ccc(F)cc1F ZINC000002243641 169783245 /nfs/dbraw/zinc/78/32/45/169783245.db2.gz XBNOQBIPRMRFKH-UHFFFAOYSA-N -1 0 270.275 3.573 50 0 CHAARM CC(C)CC[C@@H](C(=O)[O-])[C@@H](C)CC(=O)NC1CCCCC1 ZINC000002250489 169783334 /nfs/dbraw/zinc/78/33/34/169783334.db2.gz BLHDTATYKOMPBW-DZGCQCFKSA-N -1 0 297.439 3.599 50 0 CHAARM Cc1cc2c(nc(-c3ccccc3)nc2/C=C/C(=O)[O-])s1 ZINC000002346908 169787032 /nfs/dbraw/zinc/78/70/32/169787032.db2.gz ITNZYLLIBWAECO-BQYQJAHWSA-N -1 0 296.351 3.765 50 0 CHAARM Cc1ccc(Cl)c(OCc2cccc(C(=O)[O-])c2)c1 ZINC000002521427 169801515 /nfs/dbraw/zinc/80/15/15/169801515.db2.gz LAQPZPHLTISQHH-UHFFFAOYSA-N -1 0 276.719 3.926 50 0 CHAARM Cc1ccc(C(=O)c2c(C)cccc2C(=O)[O-])c(C)c1 ZINC000004799585 170019309 /nfs/dbraw/zinc/01/93/09/170019309.db2.gz PJOFOPQGLKIHJA-UHFFFAOYSA-N -1 0 268.312 3.541 50 0 CHAARM O=C([O-])CCCCCCCCCC[C@H]1CCOC1=O ZINC000005185098 170075023 /nfs/dbraw/zinc/07/50/23/170075023.db2.gz IRSRBMWOTPXSHN-ZDUSSCGKSA-N -1 0 270.369 3.535 50 0 CHAARM CCCCCSc1cc(OC)c(CC(=O)[O-])cc1OC ZINC000005464220 170101664 /nfs/dbraw/zinc/10/16/64/170101664.db2.gz CAYSQLKLNHZRHV-UHFFFAOYSA-N -1 0 298.404 3.613 50 0 CHAARM CCc1cc2c([n-]c(=S)n(CCC(C)C)c2=O)s1 ZINC000006006306 170167498 /nfs/dbraw/zinc/16/74/98/170167498.db2.gz DVQAGGSBKSJPCJ-UHFFFAOYSA-N -1 0 282.434 3.729 50 0 CHAARM S=c1[n-]nc(C=Cc2ccc(Cl)cc2Cl)o1 ZINC000006220063 170183431 /nfs/dbraw/zinc/18/34/31/170183431.db2.gz PQTOEMDZBASDHQ-DUXPYHPUSA-N -1 0 273.144 3.836 50 0 CHAARM Cc1ccccc1C(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC000006302769 170189403 /nfs/dbraw/zinc/18/94/03/170189403.db2.gz XNDPMYLCPLGMCJ-UHFFFAOYSA-N -1 0 289.718 3.599 50 0 CHAARM CC(C)c1cccc([N-]S(=O)(=O)c2ccccc2F)c1 ZINC000007055727 170264558 /nfs/dbraw/zinc/26/45/58/170264558.db2.gz VPGBCPLNTWEHGJ-UHFFFAOYSA-N -1 0 293.363 3.750 50 0 CHAARM Cn1c2ccccc2c(C(=O)[O-])c1-c1ccccc1 ZINC000007784492 170302441 /nfs/dbraw/zinc/30/24/41/170302441.db2.gz RELJLFYAYAGHEF-UHFFFAOYSA-N -1 0 251.285 3.544 50 0 CHAARM CCc1cccc(CC)c1Nc1nc(CC(=O)[O-])cs1 ZINC000008024854 170314298 /nfs/dbraw/zinc/31/42/98/170314298.db2.gz IBIUMGADJAXNGY-UHFFFAOYSA-N -1 0 290.388 3.639 50 0 CHAARM Cc1ccccc1S[C@@H](C(=O)[O-])c1ccccc1 ZINC000011804263 170443098 /nfs/dbraw/zinc/44/30/98/170443098.db2.gz KLDVNMLBHGWENH-CQSZACIVSA-N -1 0 258.342 3.913 50 0 CHAARM O=C([O-])c1ccc2oc(-c3ccc(Cl)cc3)nc2c1 ZINC000020158781 171039887 /nfs/dbraw/zinc/03/98/87/171039887.db2.gz SEPDJJDBRQSWRC-UHFFFAOYSA-N -1 0 273.675 3.846 50 0 CHAARM CC(C)COc1ccc(C2(C(=O)[O-])CCCC2)cc1 ZINC000020429476 171194488 /nfs/dbraw/zinc/19/44/88/171194488.db2.gz XJTJBBONENYCBT-UHFFFAOYSA-N -1 0 262.349 3.618 50 0 CHAARM O=C([O-])c1ccccc1CO[C@H]1CCCc2ccccc21 ZINC000035415244 172189822 /nfs/dbraw/zinc/18/98/22/172189822.db2.gz RXUJKCFKMIIIFU-KRWDZBQOSA-N -1 0 282.339 3.979 50 0 CHAARM COc1cc2c(C)c(C(=O)[O-])oc2c(C(C)(C)C)c1 ZINC000037337200 173138556 /nfs/dbraw/zinc/13/85/56/173138556.db2.gz NAQGWLRVNCPOKP-UHFFFAOYSA-N -1 0 262.305 3.746 50 0 CHAARM CCc1cccc(Oc2ncc(Cl)cc2C(=O)[O-])c1 ZINC000072323934 176369282 /nfs/dbraw/zinc/36/92/82/176369282.db2.gz AJPRBRYNUNVGNF-UHFFFAOYSA-N -1 0 277.707 3.788 50 0 CHAARM O=C([O-])/C=C/c1ccc(OCc2ccc(F)c(F)c2)cc1 ZINC000014007858 326842627 /nfs/dbraw/zinc/84/26/27/326842627.db2.gz YQMNUKYTAJGSDO-XBXARRHUSA-N -1 0 290.265 3.642 50 0 CHAARM CCOCCCn1c(C)c(C(=O)[O-])cc1-c1ccccc1 ZINC000032919460 326898442 /nfs/dbraw/zinc/89/84/42/326898442.db2.gz UCJAEKOJQDQXRJ-UHFFFAOYSA-N -1 0 287.359 3.588 50 0 CHAARM C/C(Cl)=C\COc1ccc(Cl)cc1C(=O)[O-] ZINC000005494342 527539218 /nfs/dbraw/zinc/53/92/18/527539218.db2.gz GNVLWQJQBWGUCN-QPJJXVBHSA-N -1 0 261.104 3.560 50 0 CHAARM O=C([O-])c1cc(Cl)c(Cl)c(C(F)(F)F)c1 ZINC000098210817 567911548 /nfs/dbraw/zinc/91/15/48/567911548.db2.gz CGVVUKYVRXMHQQ-UHFFFAOYSA-N -1 0 259.010 3.710 50 0 CHAARM CC(C)=CCc1cc(I)ccc1O ZINC000015043169 566830119 /nfs/dbraw/zinc/83/01/19/566830119.db2.gz IATHVBOBDPRFCI-UHFFFAOYSA-N -1 0 288.128 3.506 50 0 CHAARM Cc1ccc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)c(C)c1 ZINC000012769770 566882415 /nfs/dbraw/zinc/88/24/15/566882415.db2.gz JAXPZRDZIXBGKN-HNNXBMFYSA-N -1 0 297.354 3.500 50 0 CHAARM O=C([O-])CCc1ccc(-c2cccc(Cl)c2)o1 ZINC000004541845 566910106 /nfs/dbraw/zinc/91/01/06/566910106.db2.gz WPZPJQYONIABFT-UHFFFAOYSA-N -1 0 250.681 3.617 50 0 CHAARM O=c1cc([O-])c2c(-c3ccc(Cl)cc3)csc2[nH]1 ZINC000057315550 567155847 /nfs/dbraw/zinc/15/58/47/567155847.db2.gz VSYSHYIHWBTFQK-UHFFFAOYSA-N -1 0 277.732 3.616 50 0 CHAARM CCOc1ccccc1Oc1coc2cc([O-])ccc2c1=O ZINC000004278393 567191336 /nfs/dbraw/zinc/19/13/36/567191336.db2.gz DGQHOSPYXVIASH-UHFFFAOYSA-N -1 0 298.294 3.690 50 0 biogenic CHAARM Clc1cccc(-c2csc([N-]c3ncccn3)n2)c1 ZINC000067321905 567197137 /nfs/dbraw/zinc/19/71/37/567197137.db2.gz RPBIPBNWPLBFAY-UHFFFAOYSA-N -1 0 288.763 3.997 50 0 CHAARM O=C([O-])c1csc(-c2cccc(Cl)c2Cl)n1 ZINC000000120787 567818687 /nfs/dbraw/zinc/81/86/87/567818687.db2.gz ANTJCNIMRNBFMJ-UHFFFAOYSA-N -1 0 274.128 3.815 50 0 CHAARM O=C([O-])c1sccc1OCc1ccc(Cl)cc1 ZINC000000169909 567821152 /nfs/dbraw/zinc/82/11/52/567821152.db2.gz PYVFVAJZMRXLTE-UHFFFAOYSA-N -1 0 268.721 3.679 50 0 CHAARM O=C([O-])c1cc(-c2ccccc2)nc2ccc(F)cc21 ZINC000000238381 567823034 /nfs/dbraw/zinc/82/30/34/567823034.db2.gz VLFGSVIKTCCKHG-UHFFFAOYSA-N -1 0 267.259 3.739 50 0 CHAARM Cc1ccc(-n2nc(-c3ccccc3)cc2C(=O)[O-])cc1 ZINC000000732361 567834846 /nfs/dbraw/zinc/83/48/46/567834846.db2.gz GIYRFIKVWFWVPY-UHFFFAOYSA-N -1 0 278.311 3.546 50 0 CHAARM O=C([O-])c1ccc(Nc2cc(-c3ccccc3)ncn2)cc1 ZINC000001286873 567836791 /nfs/dbraw/zinc/83/67/91/567836791.db2.gz IBTKKAWZAUACSX-UHFFFAOYSA-N -1 0 291.310 3.585 50 0 CHAARM CCCc1cc(C(=O)[O-])cc(CCC)c1OCC ZINC000002020745 567844136 /nfs/dbraw/zinc/84/41/36/567844136.db2.gz HRFCIHYWDXONGU-UHFFFAOYSA-N -1 0 250.338 3.689 50 0 CHAARM Clc1ccc(-c2csc([N-]c3ncccn3)n2)cc1 ZINC000002552467 567848036 /nfs/dbraw/zinc/84/80/36/567848036.db2.gz HFKFOZAQYKCRCU-UHFFFAOYSA-N -1 0 288.763 3.997 50 0 CHAARM CCCOc1ccc(-c2ccc(C(=O)[O-])cc2)cc1 ZINC000002569863 567848515 /nfs/dbraw/zinc/84/85/15/567848515.db2.gz ACCMUAPHRVODJN-UHFFFAOYSA-N -1 0 256.301 3.841 50 0 CHAARM O=C(c1ccccc1)c1cc(Cl)cc(Cl)c1[O-] ZINC000002576894 567848545 /nfs/dbraw/zinc/84/85/45/567848545.db2.gz KQEKLTCGLCEOFY-UHFFFAOYSA-N -1 0 267.111 3.930 50 0 CHAARM CC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)[O-] ZINC000003182483 567851986 /nfs/dbraw/zinc/85/19/86/567851986.db2.gz YKSHSSFDOHACTC-SNVBAGLBSA-N -1 0 295.688 3.880 50 0 CHAARM O=C([O-])c1cccc(-c2ccc(Br)cc2)c1 ZINC000004202430 567855863 /nfs/dbraw/zinc/85/58/63/567855863.db2.gz IZEOXGJWZDXOEI-UHFFFAOYSA-N -1 0 277.117 3.814 50 0 CHAARM O=C(COc1ccc(Cl)cc1)Nc1ccccc1[S-] ZINC000004666299 567858816 /nfs/dbraw/zinc/85/88/16/567858816.db2.gz WITCOAPYNQQTMP-UHFFFAOYSA-N -1 0 293.775 3.646 50 0 CHAARM C[C@H]1CCc2c(sc3[n-]c(=S)n(C4CC4)c(=O)c23)C1 ZINC000017023009 567874606 /nfs/dbraw/zinc/87/46/06/567874606.db2.gz KFQACORBQRVXCE-ZETCQYMHSA-N -1 0 292.429 3.580 50 0 CHAARM O=C([O-])[C@H](Sc1ccccc1F)c1ccccc1 ZINC000019410680 567877726 /nfs/dbraw/zinc/87/77/26/567877726.db2.gz LSWNWRLXKSNLNG-CYBMUJFWSA-N -1 0 262.305 3.744 50 0 CHAARM O=C([O-])[C@H]1CC=CC[C@H]1c1cccc2ccccc21 ZINC000000758971 567887718 /nfs/dbraw/zinc/88/77/18/567887718.db2.gz WLIGHINCHMOBJZ-HOTGVXAUSA-N -1 0 252.313 3.974 50 0 CHAARM O=C([O-])[C@H]1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000034939266 567889110 /nfs/dbraw/zinc/88/91/10/567889110.db2.gz JJVOPJNIGSYPNV-ZJUUUORDSA-N -1 0 278.739 3.575 50 0 CHAARM O=c1cc(C(F)(F)F)[n-]c2c(F)c(Cl)ccc12 ZINC000036912416 567889753 /nfs/dbraw/zinc/88/97/53/567889753.db2.gz FUPNDEQEFQAHST-UHFFFAOYSA-N -1 0 265.593 3.752 50 0 CHAARM CC(=O)c1ccc(Sc2ccccc2C(=O)[O-])cc1 ZINC000036825992 567889882 /nfs/dbraw/zinc/88/98/82/567889882.db2.gz APEOVWDFGGIOBD-UHFFFAOYSA-N -1 0 272.325 3.739 50 0 CHAARM C[C@@H](c1cccs1)[N@H+](C)Cc1ccccc1C(=O)[O-] ZINC000049727607 567893371 /nfs/dbraw/zinc/89/33/71/567893371.db2.gz NBXSICWJVDAXAC-NSHDSACASA-N -1 0 275.373 3.639 50 0 CHAARM Cc1oc(-c2ccc(C(C)(C)C)cc2)nc1CC(=O)[O-] ZINC000049632730 567893404 /nfs/dbraw/zinc/89/34/04/567893404.db2.gz BJFRAJCUGIITQB-UHFFFAOYSA-N -1 0 273.332 3.575 50 0 CHAARM CSc1nc(=O)c2scc(-c3cccc(F)c3)c2[n-]1 ZINC000062591983 567897367 /nfs/dbraw/zinc/89/73/67/567897367.db2.gz OONDVPMKRZQFOH-UHFFFAOYSA-N -1 0 292.360 3.925 50 0 CHAARM O=C([O-])c1ccc(-c2ccc(F)c(Cl)c2)c(F)c1 ZINC000065351317 567898693 /nfs/dbraw/zinc/89/86/93/567898693.db2.gz NVIGYHZIXCUAIE-UHFFFAOYSA-N -1 0 268.646 3.983 50 0 CHAARM COc1ccc(Oc2c(C)oc3cc([O-])ccc3c2=O)cc1 ZINC000000043095 567905317 /nfs/dbraw/zinc/90/53/17/567905317.db2.gz MRJBTLOPZXQVMW-UHFFFAOYSA-N -1 0 298.294 3.608 50 0 biogenic CHAARM C[Si](C)(C)CCSCc1cccc(C(=O)[O-])c1 ZINC000725244759 567908302 /nfs/dbraw/zinc/90/83/02/567908302.db2.gz AWYZNILRTLEZKD-UHFFFAOYSA-N -1 0 268.454 3.956 50 0 CHAARM CC(C)c1ccccc1C(=O)[C@H]1CC[C@@H](C(=O)[O-])CC1 ZINC000100080546 567912072 /nfs/dbraw/zinc/91/20/72/567912072.db2.gz DMGDRRLSYISNSU-JOCQHMNTSA-N -1 0 274.360 3.884 50 0 CHAARM O=C(C=C([O-])c1cc(Cl)ccc1Cl)C(F)(F)F ZINC000100503231 567913447 /nfs/dbraw/zinc/91/34/47/567913447.db2.gz ASSCOENQJVQDRE-UHFFFAOYSA-N -1 0 285.048 3.698 50 0 CHAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)c1cccc2ccccc21 ZINC000071772404 567914902 /nfs/dbraw/zinc/91/49/02/567914902.db2.gz IIMIUKWQEUEQOF-CVEARBPZSA-N -1 0 282.339 3.914 50 0 CHAARM CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)[O-])o1 ZINC000000269382 567925782 /nfs/dbraw/zinc/92/57/82/567925782.db2.gz DUCSZMIJGJYKKG-UHFFFAOYSA-N -1 0 287.315 3.528 50 0 CHAARM Cc1ccc(C(=O)Nc2c(C)cccc2C(=O)[O-])cc1C ZINC000001124563 567937087 /nfs/dbraw/zinc/93/70/87/567937087.db2.gz MJMFMIPQYPKNAY-UHFFFAOYSA-N -1 0 283.327 3.562 50 0 CHAARM CC[C@H](C(=O)Nc1cc(C(=O)[O-])ccc1C)c1ccccc1 ZINC000002880964 567937881 /nfs/dbraw/zinc/93/78/81/567937881.db2.gz MVPUXIWGZNRGNE-HNNXBMFYSA-N -1 0 297.354 3.826 50 0 CHAARM CO[C@@H](C)c1cccc(-c2ncc(C(=O)[O-])cc2Cl)c1 ZINC000215883345 567947328 /nfs/dbraw/zinc/94/73/28/567947328.db2.gz APTGPHAERSUCBP-VIFPVBQESA-N -1 0 291.734 3.808 50 0 CHAARM CC(C)c1ccc(NC(=O)c2ccccc2CC(=O)[O-])cc1 ZINC000002381045 570217029 /nfs/dbraw/zinc/21/70/29/570217029.db2.gz HWVXCWBFAPHZOQ-UHFFFAOYSA-N -1 0 297.354 3.689 50 0 CHAARM Cc1ccc(S[C@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000011692838 570220119 /nfs/dbraw/zinc/22/01/19/570220119.db2.gz JZLJWNGGZNBHHR-OAHLLOKOSA-N -1 0 272.369 3.783 50 0 CHAARM COc1cc(C(=O)[O-])cc2sc3ccccc3c21 ZINC000005915802 570325847 /nfs/dbraw/zinc/32/58/47/570325847.db2.gz YRPMCWGKDJSMJE-UHFFFAOYSA-N -1 0 258.298 3.761 50 0 CHAARM O=C([O-])c1ccc(-c2nc3ccccc3s2)cc1 ZINC000000618989 570350946 /nfs/dbraw/zinc/35/09/46/570350946.db2.gz PZLVNQBPCDMJFR-UHFFFAOYSA-N -1 0 255.298 3.662 50 0 CHAARM O=C([O-])C[C@H](c1ccccc1)c1ccc(F)c(F)c1 ZINC000036173454 570357518 /nfs/dbraw/zinc/35/75/18/570357518.db2.gz CJNSEIUQORLUMK-GFCCVEGCSA-N -1 0 262.255 3.571 50 0 CHAARM O=C([O-])c1csc(-c2c(Cl)cccc2Cl)n1 ZINC000036893217 570411234 /nfs/dbraw/zinc/41/12/34/570411234.db2.gz YYHBRWFGFYTFHR-UHFFFAOYSA-N -1 0 274.128 3.815 50 0 CHAARM Cc1ccc2[nH]c(S[C@H](C(=O)[O-])c3ccccc3)nc2c1 ZINC000003848328 956869326 /nfs/dbraw/zinc/86/93/26/956869326.db2.gz PRJIEAHSJLTVBI-AWEZNQCLSA-N -1 0 298.367 3.789 50 0 CHAARM CC(=O)c1c([O-])c(Cl)cc(Br)c1Cl ZINC000232318549 1127887513 /nfs/dbraw/zinc/88/75/13/1127887513.db2.gz YWSQLPBOOQVTFR-UHFFFAOYSA-N -1 0 283.936 3.664 50 0 CHAARM COc1ccc2cc(-c3cccnc3)ccc2c1CC(=O)[O-] ZINC000032576442 1128007031 /nfs/dbraw/zinc/00/70/31/1128007031.db2.gz YPURZWSTTBBYSN-UHFFFAOYSA-N -1 0 293.322 3.538 50 0 CHAARM O=C([O-])c1c(-c2ccccc2)noc1C1CCCC1 ZINC000134266554 1118480713 /nfs/dbraw/zinc/48/07/13/1118480713.db2.gz YPOWUDFWQJTCEM-UHFFFAOYSA-N -1 0 257.289 3.697 50 0 CHAARM CC(C)C(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000052068525 1119281478 /nfs/dbraw/zinc/28/14/78/1119281478.db2.gz MPKQOWOADYAYPZ-UHFFFAOYSA-N -1 0 277.545 3.647 50 0 CHAARM Cc1nccc(Oc2cccc(C(F)(F)F)c2)c1O ZINC000005798652 1121454130 /nfs/dbraw/zinc/45/41/30/1121454130.db2.gz WDGCKTBDIAERHS-UHFFFAOYSA-N -1 0 269.222 3.907 50 0 CHAARM CCCCOc1ccc(/C=C/c2cc(C(=O)[O-])ncn2)cc1 ZINC000089954820 1129261856 /nfs/dbraw/zinc/26/18/56/1129261856.db2.gz KZQVCDYRCMJHOA-QPJJXVBHSA-N -1 0 298.342 3.524 50 0 CHAARM O=C([O-])Cc1cc(Cl)c(Cl)c(OC(F)(F)F)c1 ZINC000098210727 185699656 /nfs/dbraw/zinc/69/96/56/185699656.db2.gz XQRFKCKDLDTDIX-UHFFFAOYSA-N -1 0 289.036 3.519 50 0 CHAARM C[Si](C)(C)[Si](C(=O)[O-])([Si](C)(C)C)[Si](C)(C)C ZINC000169816596 188666040 /nfs/dbraw/zinc/66/60/40/188666040.db2.gz MDACQQSIPWSGQM-UHFFFAOYSA-N -1 0 292.676 3.945 50 0 CHAARM O=C([O-])/C=C/c1cc(Cl)cc(OC(F)F)c1Cl ZINC000263623258 190070144 /nfs/dbraw/zinc/07/01/44/190070144.db2.gz FZRUNJKKVNVNQT-OWOJBTEDSA-N -1 0 283.057 3.693 50 0 CHAARM O=C([O-])/C=C/c1ccc(Cl)c(OC(F)F)c1Cl ZINC000263625276 190071175 /nfs/dbraw/zinc/07/11/75/190071175.db2.gz YHAWDEOEGZQFQF-DUXPYHPUSA-N -1 0 283.057 3.693 50 0 CHAARM O=C([O-])c1c(F)c(F)c(F)c(F)c1-c1ccccc1 ZINC000000201065 169572765 /nfs/dbraw/zinc/57/27/65/169572765.db2.gz GVJDXAOGNWRGBU-UHFFFAOYSA-N -1 0 270.181 3.608 50 0 CHAARM O=C([O-])c1cccnc1SCc1cccc(Cl)c1 ZINC000000217956 169578932 /nfs/dbraw/zinc/57/89/32/169578932.db2.gz ONBMZOJNFAGKFT-UHFFFAOYSA-N -1 0 279.748 3.726 50 0 CHAARM O=C([O-])CCSc1nc2ccccc2n1-c1ccccc1 ZINC000000331589 169609085 /nfs/dbraw/zinc/60/90/85/169609085.db2.gz HFLGGTJGUAXRRC-UHFFFAOYSA-N -1 0 298.367 3.592 50 0 CHAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1cccc2ccccc21 ZINC000000341412 169611728 /nfs/dbraw/zinc/61/17/28/169611728.db2.gz IJHXQOHCEWIYQS-GJZGRUSLSA-N -1 0 297.354 3.669 50 0 CHAARM CC(C)(C)OC(=O)Nc1ccc2sc(C(=O)[O-])cc2c1 ZINC000039321002 184545823 /nfs/dbraw/zinc/54/58/23/184545823.db2.gz GLLFQKVJBXZJON-UHFFFAOYSA-N -1 0 293.344 3.947 50 0 CHAARM Cc1ccc(-c2cc(C(=O)[O-])n(-c3cccc(C)c3)n2)cc1 ZINC000000732375 169677499 /nfs/dbraw/zinc/67/74/99/169677499.db2.gz BRMDNCOGNHMNIA-UHFFFAOYSA-N -1 0 292.338 3.854 50 0 CHAARM O=C([O-])C[C@H](Sc1ccccc1)c1ccccc1 ZINC000002035090 169770128 /nfs/dbraw/zinc/77/01/28/169770128.db2.gz CDSMEKVWCGNQNJ-AWEZNQCLSA-N -1 0 258.342 3.995 50 0 in-vitro CHAARM CCCC[C@@H](CCC(=O)Nc1ccccc1Cl)C(=O)[O-] ZINC000002326633 169786000 /nfs/dbraw/zinc/78/60/00/169786000.db2.gz LUKOFTMSHBKEOI-NSHDSACASA-N -1 0 297.782 3.950 50 0 CHAARM O=C([O-])c1cccc(-c2ccc(OC(F)(F)F)cc2)c1 ZINC000002528987 169803282 /nfs/dbraw/zinc/80/32/82/169803282.db2.gz VUUCZDXUSBMEDB-UHFFFAOYSA-N -1 0 282.217 3.950 50 0 CHAARM O=C([O-])[C@@H](Nc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000004253464 169949916 /nfs/dbraw/zinc/94/99/16/169949916.db2.gz WGJQEOYZFXXWBI-ZDUSSCGKSA-N -1 0 279.698 3.717 50 0 CHAARM CCc1cccc(C)c1NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000004776691 170015377 /nfs/dbraw/zinc/01/53/77/170015377.db2.gz JRQQBIQONSGGGA-UHFFFAOYSA-N -1 0 298.342 3.900 50 0 CHAARM O=c1cc(C23CC4CC(CC(C4)C2)C3)[n-]n1-c1ccccc1 ZINC000004871909 170034794 /nfs/dbraw/zinc/03/47/94/170034794.db2.gz LEVBDJAAMGVVRG-UHFFFAOYSA-N -1 0 294.398 3.996 50 0 CHAARM Cc1ccc(F)cc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000005126826 170068626 /nfs/dbraw/zinc/06/86/26/170068626.db2.gz NAXPXMVACXADFF-UHFFFAOYSA-N -1 0 299.754 3.588 50 0 CHAARM Cc1cc(OCc2ccccc2)cc(C)c1C(=O)[O-] ZINC000005379061 170091486 /nfs/dbraw/zinc/09/14/86/170091486.db2.gz CYARMRJPTUCTSC-UHFFFAOYSA-N -1 0 256.301 3.581 50 0 CHAARM O=C([O-])c1cc(/C=C/c2ccco2)nc2ccccc21 ZINC000005669298 170126000 /nfs/dbraw/zinc/12/60/00/170126000.db2.gz LYIDIGKZISHYIG-BQYQJAHWSA-N -1 0 265.268 3.696 50 0 CHAARM Cc1oc2c(C)c([O-])ccc2c(=O)c1Oc1ccccc1 ZINC000005730086 170134614 /nfs/dbraw/zinc/13/46/14/170134614.db2.gz JFVLCXHMAGAGHF-UHFFFAOYSA-N -1 0 282.295 3.908 50 0 CHAARM Cc1cc(C)c2nc(-c3cccc(N)c3)cc(C(=O)[O-])c2c1 ZINC000006390048 170197035 /nfs/dbraw/zinc/19/70/35/170197035.db2.gz CGXNDIVLQCABQR-UHFFFAOYSA-N -1 0 292.338 3.799 50 0 CHAARM Cc1cc(C(=O)[O-])c(C)n1CCc1c[nH]c2ccccc12 ZINC000006667811 170224068 /nfs/dbraw/zinc/22/40/68/170224068.db2.gz RHHQMBPGVOBYNZ-UHFFFAOYSA-N -1 0 282.343 3.527 50 0 CHAARM O=C([O-])C[C@@H](c1cccc2ccccc21)n1cccc1 ZINC000006942862 170257666 /nfs/dbraw/zinc/25/76/66/170257666.db2.gz WPHZWPLPYKHTTE-INIZCTEOSA-N -1 0 265.312 3.705 50 0 CHAARM O=C([O-])C/C(=C\c1ccccc1)c1nc2ccccc2o1 ZINC000007000947 170261284 /nfs/dbraw/zinc/26/12/84/170261284.db2.gz AQTDGZATXHXILX-JLHYYAGUSA-N -1 0 279.295 3.843 50 0 CHAARM Cc1ccc(COc2ccc(Cl)cc2C(=O)[O-])cc1 ZINC000007603879 170292775 /nfs/dbraw/zinc/29/27/75/170292775.db2.gz KDGZTOMMIUXVDJ-UHFFFAOYSA-N -1 0 276.719 3.926 50 0 CHAARM O=C([O-])c1ccc(-c2ccc(Cl)c(F)c2)cc1 ZINC000008729782 170350702 /nfs/dbraw/zinc/35/07/02/170350702.db2.gz LJHSLDSPHPCRFA-UHFFFAOYSA-N -1 0 250.656 3.844 50 0 CHAARM Cc1cc(C(=O)[O-])ccc1NCc1ccc(Cl)cc1 ZINC000016576941 170701952 /nfs/dbraw/zinc/70/19/52/170701952.db2.gz QLRWQWYGWTZXLL-UHFFFAOYSA-N -1 0 275.735 3.959 50 0 CHAARM Cc1cc(Cl)ccc1O[C@H](C(=O)[O-])c1ccccc1 ZINC000019669932 170834957 /nfs/dbraw/zinc/83/49/57/170834957.db2.gz YNXFAEHDDVUDKC-AWEZNQCLSA-N -1 0 276.719 3.853 50 0 CHAARM O=C([O-])c1ccc(Oc2cccc(Br)c2)cc1 ZINC000020080756 170985756 /nfs/dbraw/zinc/98/57/56/170985756.db2.gz KYUINITWNQUXBN-UHFFFAOYSA-N -1 0 293.116 3.940 50 0 CHAARM O=C([O-])CCCCNc1ccccc1Cc1ccccc1 ZINC000020474566 171218537 /nfs/dbraw/zinc/21/85/37/171218537.db2.gz XRPAHFWDNUSFDF-UHFFFAOYSA-N -1 0 283.371 3.944 50 0 CHAARM CCOc1cccc(CNc2cc(C(=O)[O-])ccc2C)c1 ZINC000020881182 171277628 /nfs/dbraw/zinc/27/76/28/171277628.db2.gz FWBFLKCIEXYAEO-UHFFFAOYSA-N -1 0 285.343 3.704 50 0 CHAARM CC(C)(C)c1ccc(Oc2ccc(C(=O)[O-])cn2)cc1 ZINC000021512285 171311115 /nfs/dbraw/zinc/31/11/15/171311115.db2.gz PFDJDBDZWDCYLY-UHFFFAOYSA-N -1 0 271.316 3.870 50 0 CHAARM O=C([O-])c1cccc(-c2ccc(-c3ccc(F)cc3)nn2)c1 ZINC000534663438 328351061 /nfs/dbraw/zinc/35/10/61/328351061.db2.gz JVQITKNJHRTXOC-UHFFFAOYSA-N -1 0 294.285 3.648 50 0 CHAARM CC(C)(C)C[C@@H](NC1CCC(C(=O)[O-])CC1)C(F)(F)F ZINC000263426206 330055292 /nfs/dbraw/zinc/05/52/92/330055292.db2.gz QOFKMPBVCIXTNK-VQXHTEKXSA-N -1 0 295.345 3.587 50 0 CHAARM O=C([O-])CCCCCCC(=O)c1ccc(Cl)cc1 ZINC000002378615 567845496 /nfs/dbraw/zinc/84/54/96/567845496.db2.gz WNTCKEYDUDCLSD-UHFFFAOYSA-N -1 0 268.740 3.948 50 0 CHAARM O=C([O-])CCCCCCOc1ccc(Cl)cc1 ZINC000032109218 566862035 /nfs/dbraw/zinc/86/20/35/566862035.db2.gz ILDVLQJVCVDEMO-UHFFFAOYSA-N -1 0 256.729 3.754 50 0 CHAARM Cc1ccccc1NC(=O)CC[C@@H](CCC(C)C)C(=O)[O-] ZINC000016624680 566875502 /nfs/dbraw/zinc/87/55/02/566875502.db2.gz NLNUZWTXJCJLDI-CQSZACIVSA-N -1 0 291.391 3.851 50 0 CHAARM O=C([O-])c1ncc(-c2ccc(F)cc2)cc1C(F)(F)F ZINC000047205278 566890111 /nfs/dbraw/zinc/89/01/11/566890111.db2.gz NIIPLUHYGHTNEI-UHFFFAOYSA-N -1 0 285.196 3.605 50 0 CHAARM O=C([O-])c1ncc(-c2ccccc2F)cc1C(F)(F)F ZINC000047205274 566890119 /nfs/dbraw/zinc/89/01/19/566890119.db2.gz YTHSUBZLQHKMPY-UHFFFAOYSA-N -1 0 285.196 3.605 50 0 CHAARM CCc1cccc(CC)c1NC(=O)c1ccccc1C(=O)[O-] ZINC000004542519 566909543 /nfs/dbraw/zinc/90/95/43/566909543.db2.gz GIKOGWWQLRWZLB-UHFFFAOYSA-N -1 0 297.354 3.762 50 0 CHAARM C[C@@H]1CCC[C@H](n2cnc3cc(C(=O)[O-])ccc32)[C@H]1C ZINC000242538761 566968334 /nfs/dbraw/zinc/96/83/34/566968334.db2.gz JFJGSDXMDSYRFY-SUNKGSAMSA-N -1 0 272.348 3.732 50 0 CHAARM Cc1ccc(NC(=O)c2ccccc2Cl)cc1C(=O)[O-] ZINC000058019773 567168374 /nfs/dbraw/zinc/16/83/74/567168374.db2.gz YPFOKCQNCWRZHY-UHFFFAOYSA-N -1 0 289.718 3.599 50 0 CHAARM Cc1ccc(OP(=O)([O-])Oc2ccc(C)cc2)cc1 ZINC000004016969 567185109 /nfs/dbraw/zinc/18/51/09/567185109.db2.gz PLUDEAUQZKPAIN-UHFFFAOYSA-N -1 0 278.244 3.862 50 0 CHAARM O=C([O-])c1cccc2c(-c3ccc4c(c3)CCCC4)n[nH]c21 ZINC000031991050 567186288 /nfs/dbraw/zinc/18/62/88/567186288.db2.gz UIMFUHCXRZORNV-UHFFFAOYSA-N -1 0 292.338 3.807 50 0 CHAARM Cc1ccc(-c2csc([N-]c3ncccn3)n2)c(C)c1 ZINC000067321690 567197210 /nfs/dbraw/zinc/19/72/10/567197210.db2.gz SXOYJYFSSYXYHI-UHFFFAOYSA-N -1 0 282.372 3.961 50 0 CHAARM CCc1ccc(-c2cc(C(=O)[O-])nn2-c2ccccc2)cc1 ZINC000000047014 567816977 /nfs/dbraw/zinc/81/69/77/567816977.db2.gz WDZRVXMLKRUERZ-UHFFFAOYSA-N -1 0 292.338 3.800 50 0 CHAARM Cc1ccc(-c2cc(C(=O)[O-])c3ccccc3n2)o1 ZINC000000064784 567817277 /nfs/dbraw/zinc/81/72/77/567817277.db2.gz GRJBJZDHYLETNS-UHFFFAOYSA-N -1 0 253.257 3.501 50 0 CHAARM O=c1oc2cc([O-])ccc2cc1-c1ccc(Cl)cc1 ZINC000000058096 567817394 /nfs/dbraw/zinc/81/73/94/567817394.db2.gz QIMAXWFBDUTNFD-UHFFFAOYSA-N -1 0 272.687 3.819 50 0 biogenic,in-vitro CHAARM O=C([O-])/C=C/c1ccccc1Oc1ccc(F)cc1 ZINC000000167979 567821199 /nfs/dbraw/zinc/82/11/99/567821199.db2.gz BXEPYPAITBZKTN-BJMVGYQFSA-N -1 0 258.248 3.716 50 0 CHAARM O=C([O-])c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000000301121 567824523 /nfs/dbraw/zinc/82/45/23/567824523.db2.gz HEIBWPHLFHWDAX-UHFFFAOYSA-N -1 0 265.268 3.707 50 0 CHAARM CSc1cc(Br)c([O-])c(Br)c1 ZINC000000334859 567825455 /nfs/dbraw/zinc/82/54/55/567825455.db2.gz RINORSRNWCGXPY-UHFFFAOYSA-N -1 0 297.999 3.639 50 0 CHAARM O=C([O-])C[C@H](CCc1ccccc1)c1ccccc1 ZINC000000338893 567825616 /nfs/dbraw/zinc/82/56/16/567825616.db2.gz KADKHVAFGMMXGM-INIZCTEOSA-N -1 0 254.329 3.878 50 0 CHAARM C[C@H](C[C@H](C)C(=O)[O-])C(=O)Nc1ccccc1C(C)(C)C ZINC000000345915 567826014 /nfs/dbraw/zinc/82/60/14/567826014.db2.gz WKPLLVBUQQDINJ-NEPJUHHUSA-N -1 0 291.391 3.670 50 0 CHAARM Cc1cccc(NCc2n[n-]c(=S)n2-c2ccccc2)c1 ZINC000001440105 567837096 /nfs/dbraw/zinc/83/70/96/567837096.db2.gz LHRLOMASZKBQCT-UHFFFAOYSA-N -1 0 296.399 3.850 50 0 CHAARM O=C([O-])CCCCCC(=O)c1ccc(Cl)cc1 ZINC000002378614 567845462 /nfs/dbraw/zinc/84/54/62/567845462.db2.gz VTMPXLZTKLJLID-UHFFFAOYSA-N -1 0 254.713 3.558 50 0 CHAARM COc1ccccc1-c1cc(C(=O)[O-])c2cccc(C)c2n1 ZINC000002521245 567847400 /nfs/dbraw/zinc/84/74/00/567847400.db2.gz RDVMRVKYVWORRU-UHFFFAOYSA-N -1 0 293.322 3.917 50 0 CHAARM O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C/[N+](=O)[O-])o2)c1 ZINC000002555561 567848110 /nfs/dbraw/zinc/84/81/10/567848110.db2.gz GMZKANLQMXHBDG-AATRIKPKSA-N -1 0 293.662 3.546 50 0 CHAARM CCCc1c(C)nc2ccc(C(=O)[O-])cc2c1Cl ZINC000002573331 567848435 /nfs/dbraw/zinc/84/84/35/567848435.db2.gz RBHHKHINJXXXSY-UHFFFAOYSA-N -1 0 263.724 3.847 50 0 CHAARM CCC(=O)c1ccc(CCCCCC(=O)[O-])s1 ZINC000002810839 567849385 /nfs/dbraw/zinc/84/93/85/567849385.db2.gz KNXLDCOHLJMGGF-UHFFFAOYSA-N -1 0 254.351 3.528 50 0 CHAARM CCn1c(=O)c2c(-c3ccccc3)csc2[n-]c1=S ZINC000003316229 567852306 /nfs/dbraw/zinc/85/23/06/567852306.db2.gz KJXBXAGTUNSNBE-UHFFFAOYSA-N -1 0 288.397 3.807 50 0 CHAARM O=C([O-])c1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000004020017 567854671 /nfs/dbraw/zinc/85/46/71/567854671.db2.gz APRRQXIRIJHKOQ-UHFFFAOYSA-N -1 0 299.370 3.540 50 0 CHAARM O=C([O-])c1c(Cl)c(Cl)ccc1C(F)(F)F ZINC000012359281 567862782 /nfs/dbraw/zinc/86/27/82/567862782.db2.gz BHQKUOSDTCYXEE-UHFFFAOYSA-N -1 0 259.010 3.710 50 0 CHAARM O=C([O-])c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 ZINC000012505669 567863454 /nfs/dbraw/zinc/86/34/54/567863454.db2.gz IVRXZOYVXJNYDZ-UHFFFAOYSA-N -1 0 283.258 3.846 50 0 CHAARM CC(=O)c1c(C)nc([N-]c2nc3ccccc3s2)nc1C ZINC000017195440 567875462 /nfs/dbraw/zinc/87/54/62/567875462.db2.gz ZIJFJKIWFDRCRB-UHFFFAOYSA-N -1 0 298.371 3.649 50 0 CHAARM CCCOc1cccc(-c2nc3cc(C(=O)[O-])ccc3[nH]2)c1 ZINC000019943853 567880191 /nfs/dbraw/zinc/88/01/91/567880191.db2.gz ONLZRCYFEMQHDG-UHFFFAOYSA-N -1 0 296.326 3.717 50 0 CHAARM O=C([O-])c1ccccc1Oc1cccc(Br)c1 ZINC000020080764 567880934 /nfs/dbraw/zinc/88/09/34/567880934.db2.gz QSUCZMCOVPCEKA-UHFFFAOYSA-N -1 0 293.116 3.940 50 0 CHAARM CSc1ccc(C(=O)CCCCC(=O)[O-])c(Cl)c1 ZINC000043214174 567892342 /nfs/dbraw/zinc/89/23/42/567892342.db2.gz WGDRSBJOERECRL-UHFFFAOYSA-N -1 0 286.780 3.890 50 0 CHAARM O=C([O-])Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000048806032 567892853 /nfs/dbraw/zinc/89/28/53/567892853.db2.gz NGKBMFVBGSHBLA-UHFFFAOYSA-N -1 0 276.719 3.546 50 0 CHAARM O=C([O-])c1sc(-c2ccccn2)nc1-c1ccccc1 ZINC000062490936 567897534 /nfs/dbraw/zinc/89/75/34/567897534.db2.gz AFWYDGNOZTZZDG-UHFFFAOYSA-N -1 0 282.324 3.570 50 0 CHAARM O=C([O-])[C@@H](Cc1ccc(O)cc1)c1cccc2ccccc21 ZINC000071772159 567902233 /nfs/dbraw/zinc/90/22/33/567902233.db2.gz ZKRUCPOTLVEBGO-SFHVURJKSA-N -1 0 292.334 3.956 50 0 CHAARM O=C([O-])c1cccc2ccc(-c3ccnc(Cl)c3)nc21 ZINC000071788749 567902311 /nfs/dbraw/zinc/90/23/11/567902311.db2.gz QGEWPCGAHWLZCY-UHFFFAOYSA-N -1 0 284.702 3.648 50 0 CHAARM CCc1occ(-c2cccc(Br)c2)c1C(=O)[O-] ZINC000725246882 567908435 /nfs/dbraw/zinc/90/84/35/567908435.db2.gz ZTNNXCFQJIFGEA-UHFFFAOYSA-N -1 0 295.132 3.970 50 0 CHAARM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1CCc1ccccc1 ZINC000100072432 567912073 /nfs/dbraw/zinc/91/20/73/567912073.db2.gz AQBMSYPXMOKXHL-UHFFFAOYSA-N -1 0 292.382 3.980 50 0 CHAARM O=c1c(O)c(-c2ccc(Cl)cc2)oc2ccccc12 ZINC000000284551 567926033 /nfs/dbraw/zinc/92/60/33/567926033.db2.gz KRLBFAOXSDMNIZ-UHFFFAOYSA-N -1 0 272.687 3.819 50 0 CHAARM CC[C@H](C(=O)Nc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000000621003 567936750 /nfs/dbraw/zinc/93/67/50/567936750.db2.gz JSFDDMOGJDRAOL-HNNXBMFYSA-N -1 0 283.327 3.517 50 0 CHAARM Cc1ccc(CN(C)C(=O)c2cc3ccccc3cc2O)o1 ZINC000023496123 567948693 /nfs/dbraw/zinc/94/86/93/567948693.db2.gz DAIIPNSQKHMXGH-UHFFFAOYSA-N -1 0 295.338 3.719 50 0 CHAARM C[C@H](c1ccccc1)[C@H](CC(=O)[O-])C(=O)Nc1ccccc1 ZINC000012383792 567953859 /nfs/dbraw/zinc/95/38/59/567953859.db2.gz ZUSGNHXVBOLLKW-CJNGLKHVSA-N -1 0 297.354 3.520 50 0 CHAARM COc1cc(C(=O)[O-])ccc1OCc1cccc(Cl)c1 ZINC000011863823 570220661 /nfs/dbraw/zinc/22/06/61/570220661.db2.gz MKKHRLMGOCPXBP-UHFFFAOYSA-N -1 0 292.718 3.626 50 0 CHAARM Cc1cccc(COc2ccc(Cl)cc2C(=O)[O-])c1 ZINC000011860592 570220816 /nfs/dbraw/zinc/22/08/16/570220816.db2.gz WFXZGELNRDMYOZ-UHFFFAOYSA-N -1 0 276.719 3.926 50 0 CHAARM Cc1ccccc1COc1ccc(Cl)cc1C(=O)[O-] ZINC000011827972 570220835 /nfs/dbraw/zinc/22/08/35/570220835.db2.gz KFBVQXZOAPISBM-UHFFFAOYSA-N -1 0 276.719 3.926 50 0 CHAARM O=C([O-])Cc1csc(SCc2ccc(Cl)cc2)n1 ZINC000011919922 570221040 /nfs/dbraw/zinc/22/10/40/570221040.db2.gz FOMVONUACZRSRI-UHFFFAOYSA-N -1 0 299.804 3.716 50 0 CHAARM Cc1ccc2[nH]c(S[C@@H](C(=O)[O-])c3ccccc3)nc2c1 ZINC000003848332 956868505 /nfs/dbraw/zinc/86/85/05/956868505.db2.gz PRJIEAHSJLTVBI-CQSZACIVSA-N -1 0 298.367 3.789 50 0 CHAARM O=C([O-])c1ccc(Oc2cc(C(F)(F)F)ccn2)cc1 ZINC000090804348 1125745830 /nfs/dbraw/zinc/74/58/30/1125745830.db2.gz HFJHPBHICQXUBD-UHFFFAOYSA-N -1 0 283.205 3.591 50 0 CHAARM O=C([O-])CCCCc1ccc(C(=O)c2ccccc2)s1 ZINC000003683782 1120031505 /nfs/dbraw/zinc/03/15/05/1120031505.db2.gz ISFYCQQEJUIOJV-UHFFFAOYSA-N -1 0 288.368 3.777 50 0 CHAARM O=C([O-])/C=C\c1csc(/C=C/c2cccc(F)c2)n1 ZINC000606442801 1121666096 /nfs/dbraw/zinc/66/60/96/1121666096.db2.gz HJZCQYCRMRCIEI-GUBXDBFYSA-N -1 0 275.304 3.550 50 0 CHAARM O=C([O-])c1ccnc(/C=C/c2cnc(C3CCC3)s2)c1 ZINC000340590010 1123185859 /nfs/dbraw/zinc/18/58/59/1123185859.db2.gz HTNHJFNWZNMIOM-SNAWJCMRSA-N -1 0 286.356 3.674 50 0 CHAARM CCCCOc1ccc(/C=C\c2cc(C(=O)[O-])ncn2)cc1 ZINC000098053101 1129642412 /nfs/dbraw/zinc/64/24/12/1129642412.db2.gz KZQVCDYRCMJHOA-DAXSKMNVSA-N -1 0 298.342 3.524 50 0 CHAARM CC(=NNc1ccccc1)c1cc(Cl)ccc1O ZINC000254557167 1129701018 /nfs/dbraw/zinc/70/10/18/1129701018.db2.gz JFBPXTKSRDRZFA-UHFFFAOYSA-N -1 0 260.724 3.882 50 0 CHAARM Cc1cc(COc2ccc(C(=O)[O-])cc2)c2ccccc2n1 ZINC000116376128 186709024 /nfs/dbraw/zinc/70/90/24/186709024.db2.gz HZDDOASQIVIDKZ-UHFFFAOYSA-N -1 0 293.322 3.820 50 0 CHAARM CCCCCC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000002286837 261267139 /nfs/dbraw/zinc/26/71/39/261267139.db2.gz HUBQMRZLASYCLH-UHFFFAOYSA-N -1 0 295.404 3.844 50 0 CHAARM O=C([O-])/C=C/c1cc(Cl)c(Cl)c(OC(F)F)c1 ZINC000263623420 190070789 /nfs/dbraw/zinc/07/07/89/190070789.db2.gz HIFVMFCKFHUKRX-OWOJBTEDSA-N -1 0 283.057 3.693 50 0 CHAARM O=C([O-])/C=C/c1cc(Cl)c(Cl)cc1OC(F)F ZINC000263624715 190070991 /nfs/dbraw/zinc/07/09/91/190070991.db2.gz SWANWYKECKASEC-OWOJBTEDSA-N -1 0 283.057 3.693 50 0 CHAARM O=C([O-])c1ccccc1[S@](=O)c1ccc2ccccc2c1 ZINC000000173136 169563863 /nfs/dbraw/zinc/56/38/63/169563863.db2.gz SKSPJIUSDQZVKQ-NRFANRHFSA-N -1 0 296.347 3.705 50 0 CHAARM O=C([O-])CSc1cn(Cc2ccccc2)c2ccccc12 ZINC000000303214 169602904 /nfs/dbraw/zinc/60/29/04/169602904.db2.gz AWNSSDYXGNZKMK-UHFFFAOYSA-N -1 0 297.379 3.866 50 0 CHAARM CC(C)(C)c1cc2c(c(CC(=O)[O-])c1)CCC2(C)C ZINC000000314868 169606268 /nfs/dbraw/zinc/60/62/68/169606268.db2.gz ALWWZVIRTJZHPG-UHFFFAOYSA-N -1 0 260.377 3.835 50 0 CHAARM Cc1ccc(NC(=O)Nc2ccccc2C(=O)[O-])c(C)c1 ZINC000000397435 169630025 /nfs/dbraw/zinc/63/00/25/169630025.db2.gz DJFSPQNFZMPENO-UHFFFAOYSA-N -1 0 284.315 3.646 50 0 CHAARM COc1cccc(C(=O)[O-])c1OCc1ccccc1Cl ZINC000000499015 169656934 /nfs/dbraw/zinc/65/69/34/169656934.db2.gz MMALTUQSQKWTQA-UHFFFAOYSA-N -1 0 292.718 3.626 50 0 CHAARM O=C([O-])c1c2cc(Cl)ccc2nc2c1CCCCC2 ZINC000000874869 169682056 /nfs/dbraw/zinc/68/20/56/169682056.db2.gz WZAAWEVYOPZMFI-UHFFFAOYSA-N -1 0 275.735 3.855 50 0 CHAARM O=C([O-])c1ccc(F)c(NC(=O)c2cc3ccccc3o2)c1 ZINC000095349597 184949773 /nfs/dbraw/zinc/94/97/73/184949773.db2.gz MKWBSQITQQRUBU-UHFFFAOYSA-N -1 0 299.257 3.522 50 0 CHAARM COc1ccc(C)cc1[C@@H]1C[C@H](C(=O)[O-])C(C)(C)[C@H]1C ZINC000252515579 131135902 /nfs/dbraw/zinc/13/59/02/131135902.db2.gz LWFAZDJFNGDVSA-OUCADQQQSA-N -1 0 276.376 3.854 50 0 CHAARM O=C([O-])c1ccccc1CSc1nc2ccccc2o1 ZINC000003887506 169920294 /nfs/dbraw/zinc/92/02/94/169920294.db2.gz UIUXINYILGLYBR-UHFFFAOYSA-N -1 0 285.324 3.818 50 0 CHAARM Cc1ccc2[nH]c(-c3ccccn3)c(CCCC(=O)[O-])c2c1 ZINC000004137066 169937129 /nfs/dbraw/zinc/93/71/29/169937129.db2.gz ZZFYUPAEXUXJNY-UHFFFAOYSA-N -1 0 294.354 3.946 50 0 CHAARM Cc1ccc(N[C@H](C(=O)[O-])c2ccccc2)cc1C ZINC000004244769 169948313 /nfs/dbraw/zinc/94/83/13/169948313.db2.gz GNWPCRABGHIXGH-HNNXBMFYSA-N -1 0 255.317 3.541 50 0 CHAARM CCCCC[C@H](C)NC(=O)[C@@H]1CC(C)=C(C)C[C@@H]1C(=O)[O-] ZINC000004651530 169993441 /nfs/dbraw/zinc/99/34/41/169993441.db2.gz ZKMOMRBJRDQHJW-ZNMIVQPWSA-N -1 0 295.423 3.519 50 0 CHAARM O=C([O-])c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000004776651 170015540 /nfs/dbraw/zinc/01/55/40/170015540.db2.gz LFXYMRKZPHZNGU-UHFFFAOYSA-N -1 0 290.706 3.682 50 0 CHAARM Cc1cc([O-])cc2oc(C)c(Oc3ccccc3)c(=O)c12 ZINC000005730269 170134546 /nfs/dbraw/zinc/13/45/46/170134546.db2.gz PZOQUYMOXKTAQH-UHFFFAOYSA-N -1 0 282.295 3.908 50 0 biogenic CHAARM O=C([O-])c1ccc(-c2ccc(OC(F)(F)F)cc2)o1 ZINC000005997136 170166127 /nfs/dbraw/zinc/16/61/27/170166127.db2.gz KHCLEQZLFHIDBP-UHFFFAOYSA-N -1 0 272.178 3.543 50 0 CHAARM Cc1cc(C)cc([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000006919656 170255527 /nfs/dbraw/zinc/25/55/27/170255527.db2.gz LDLHCZOPOIDADD-UHFFFAOYSA-N -1 0 295.791 3.758 50 0 CHAARM O=C([O-])c1ccccc1OCc1c(F)cccc1Cl ZINC000011833368 170445592 /nfs/dbraw/zinc/44/55/92/170445592.db2.gz OSYLQTGYMDLYGS-UHFFFAOYSA-N -1 0 280.682 3.756 50 0 CHAARM CC(C)C[C@@H](CCC(=O)Nc1ccccc1Cl)C(=O)[O-] ZINC000016650442 170707272 /nfs/dbraw/zinc/70/72/72/170707272.db2.gz CVZWUXJULPJJHD-LLVKDONJSA-N -1 0 297.782 3.806 50 0 CHAARM Cc1ccc(-c2nnc3ccc(C)cc3c2C(=O)[O-])cc1 ZINC000021147183 171298479 /nfs/dbraw/zinc/29/84/79/171298479.db2.gz QPBAMYPQEKNANT-UHFFFAOYSA-N -1 0 278.311 3.612 50 0 CHAARM Cc1cccc2c1nc1c(c2C(=O)[O-])CCCCC1 ZINC000022213358 171374238 /nfs/dbraw/zinc/37/42/38/171374238.db2.gz XCRISVJYTGHDPQ-UHFFFAOYSA-N -1 0 255.317 3.510 50 0 CHAARM O=C(c1ccccc1)c1cc(Cl)c([O-])cc1Cl ZINC000034219734 171834894 /nfs/dbraw/zinc/83/48/94/171834894.db2.gz RLVMAKJBZIXSIK-UHFFFAOYSA-N -1 0 267.111 3.930 50 0 CHAARM O=C([O-])C[C@@H](c1ccccc1)c1ccccc1Cl ZINC000034928855 171895432 /nfs/dbraw/zinc/89/54/32/171895432.db2.gz UXRBWQKJQGCCJE-ZDUSSCGKSA-N -1 0 260.720 3.947 50 0 CHAARM O=C([O-])[C@H]1CCCN1Cc1sc2ccccc2c1Cl ZINC000035303583 172117052 /nfs/dbraw/zinc/11/70/52/172117052.db2.gz CMSFHUJUADFAIG-SNVBAGLBSA-N -1 0 295.791 3.604 50 0 CHAARM CC(C)(C)n1cc(C(=O)[O-])c(-c2ccccc2Cl)n1 ZINC000037311547 173113501 /nfs/dbraw/zinc/11/35/01/173113501.db2.gz NMTCBXWSDNRERC-UHFFFAOYSA-N -1 0 278.739 3.657 50 0 CHAARM Cc1c2cc(Br)ccc2sc1C(=O)[O-] ZINC000037381668 173167655 /nfs/dbraw/zinc/16/76/55/173167655.db2.gz ZVWGMFUNKWVSTR-UHFFFAOYSA-N -1 0 271.135 3.670 50 0 CHAARM O=C([O-])c1ccc(-c2ccc(Cl)cc2)cc1F ZINC000038068113 174080057 /nfs/dbraw/zinc/08/00/57/174080057.db2.gz UGRHWVWTCWQIEO-UHFFFAOYSA-N -1 0 250.656 3.844 50 0 CHAARM O=C([O-])c1ccc(OCCCCc2ccccc2)cc1 ZINC000040434025 174261031 /nfs/dbraw/zinc/26/10/31/174261031.db2.gz XWCWFMQMZZPALR-UHFFFAOYSA-N -1 0 270.328 3.787 50 0 CHAARM O=C([O-])c1cnc(Cc2c(Cl)cccc2Cl)s1 ZINC000044266108 175157859 /nfs/dbraw/zinc/15/78/59/175157859.db2.gz UGOMIYAMZROFKH-UHFFFAOYSA-N -1 0 288.155 3.739 50 0 CHAARM O=C([O-])c1ccc(-c2cccc(OC(F)(F)F)c2)cc1 ZINC000044563551 175206907 /nfs/dbraw/zinc/20/69/07/175206907.db2.gz COCUWGMMRYYPDJ-UHFFFAOYSA-N -1 0 282.217 3.950 50 0 CHAARM Cc1ccc(CC(C)(C)c2nc(C(=O)[O-])cs2)cc1 ZINC000057905097 175603328 /nfs/dbraw/zinc/60/33/28/175603328.db2.gz BIZIUEONJVIIKN-UHFFFAOYSA-N -1 0 275.373 3.670 50 0 CHAARM Cc1ccc(-c2c3ccccc3[nH]c(=O)c2CC(=O)[O-])cc1 ZINC000072314466 176368119 /nfs/dbraw/zinc/36/81/19/176368119.db2.gz HBLKMXDFHGYABW-UHFFFAOYSA-N -1 0 293.322 3.543 50 0 CHAARM O=C([O-])c1cccc(NC(=O)Nc2cccc(Cl)c2)c1 ZINC000000147806 326789837 /nfs/dbraw/zinc/78/98/37/326789837.db2.gz HVDMKXAUKVSFJL-UHFFFAOYSA-N -1 0 290.706 3.682 50 0 CHAARM O=C([O-])c1cc(/C=C/c2cccc(O)c2)nc2ccccc21 ZINC000006508048 326818686 /nfs/dbraw/zinc/81/86/86/326818686.db2.gz HRDRKTYUVQMXGN-CMDGGOBGSA-N -1 0 291.306 3.809 50 0 CHAARM O=C([O-])c1cc(Cl)ccc1Sc1ccccc1CO ZINC000000086222 534543357 /nfs/dbraw/zinc/54/33/57/534543357.db2.gz UPIVFPDDPXQZEN-UHFFFAOYSA-N -1 0 294.759 3.682 50 0 CHAARM C[C@@H]1CCC[C@H](n2c(=O)c3ccccc3[n-]c2=S)[C@H]1C ZINC000238850823 566965858 /nfs/dbraw/zinc/96/58/58/566965858.db2.gz CVVSRXDHFVSJEK-SUNKGSAMSA-N -1 0 288.416 3.682 50 0 CHAARM CC(CCc1ccc(O)cc1)N=Nc1ccc(C(=O)[O-])cc1 ZINC000252475070 566973420 /nfs/dbraw/zinc/97/34/20/566973420.db2.gz RZDWDRQQBHWMGT-UHFFFAOYSA-N -1 0 298.342 3.511 50 0 CHAARM CCC1CCC(C(=O)Nc2ccc(C(=O)[O-])cc2)CC1 ZINC000001514700 566975435 /nfs/dbraw/zinc/97/54/35/566975435.db2.gz XNGKLZQCWQDSON-UHFFFAOYSA-N -1 0 275.348 3.540 50 0 CHAARM Cc1cc(N2C[C@@H](C)C[C@H](C)C2)nc(-c2ccccc2[O-])n1 ZINC000006501240 566977563 /nfs/dbraw/zinc/97/75/63/566977563.db2.gz ODRLNZFAGQVHGI-STQMWFEESA-N -1 0 297.402 3.640 50 0 CHAARM O=C([O-])c1cnc(/C=C/c2ccc3ncccc3c2)s1 ZINC000065552702 567010085 /nfs/dbraw/zinc/01/00/85/567010085.db2.gz LCTRRBUSEFERBM-GQCTYLIASA-N -1 0 282.324 3.560 50 0 CHAARM CCCC[C@H](CCC(=O)Nc1ccccc1Cl)C(=O)[O-] ZINC000002326634 567100659 /nfs/dbraw/zinc/10/06/59/567100659.db2.gz LUKOFTMSHBKEOI-LLVKDONJSA-N -1 0 297.782 3.950 50 0 CHAARM COc1ccccc1C([O-])=C1C(=O)[C@H](C(C)C)CC[C@H]1C ZINC000230218365 567159948 /nfs/dbraw/zinc/15/99/48/567159948.db2.gz SVOQHHZZAAXCHG-WWGRRREGSA-N -1 0 288.387 3.765 50 0 CHAARM Cc1n[n-]c(=S)n1-c1ccc(OCc2ccccc2)cc1 ZINC000000128021 567819077 /nfs/dbraw/zinc/81/90/77/567819077.db2.gz VSTBONUOIOMHSE-UHFFFAOYSA-N -1 0 297.383 3.817 50 0 CHAARM O=C([O-])c1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000000157136 567820617 /nfs/dbraw/zinc/82/06/17/567820617.db2.gz CMFHRCNSAHGESP-UHFFFAOYSA-N -1 0 257.072 3.952 50 0 CHAARM Fc1ccc(-n2c(Cc3ccsc3)n[n-]c2=S)cc1 ZINC000000158368 567820632 /nfs/dbraw/zinc/82/06/32/567820632.db2.gz POPZTVULKOVMGH-UHFFFAOYSA-N -1 0 291.376 3.721 50 0 CHAARM CC(C)(C)c1cc(CC(=O)[O-])cc(C(C)(C)C)c1O ZINC000000157750 567820774 /nfs/dbraw/zinc/82/07/74/567820774.db2.gz QLMGIWHWWWXXME-UHFFFAOYSA-N -1 0 264.365 3.614 50 0 CHAARM O=C([O-])[C@H](Sc1cnc2ccccc2n1)c1ccccc1 ZINC000000156732 567820838 /nfs/dbraw/zinc/82/08/38/567820838.db2.gz HCPSYWQSQVFIRP-OAHLLOKOSA-N -1 0 296.351 3.548 50 0 CHAARM CC(=O)n1cc(Nc2ccccc2C(=O)[O-])c2ccccc21 ZINC000000210109 567822320 /nfs/dbraw/zinc/82/23/20/567822320.db2.gz CQYUJQLWWXSHEK-UHFFFAOYSA-N -1 0 294.310 3.743 50 0 CHAARM CCc1c(C)nc2c(Cl)cccc2c1SCC(=O)[O-] ZINC000000366775 567827325 /nfs/dbraw/zinc/82/73/25/567827325.db2.gz MIZPIJHPZZDKTD-UHFFFAOYSA-N -1 0 295.791 3.936 50 0 CHAARM C[C@H](OC(=O)c1ccccc1C(=O)[O-])[C@@H](C)c1ccccc1 ZINC000000390820 567828825 /nfs/dbraw/zinc/82/88/25/567828825.db2.gz MECVHYVOTUSIFV-OLZOCXBDSA-N -1 0 298.338 3.734 50 0 CHAARM O=C(c1cc(Cl)ccc1[O-])c1ccccc1Cl ZINC000000404038 567829194 /nfs/dbraw/zinc/82/91/94/567829194.db2.gz OSXVZDOVYCTYCW-UHFFFAOYSA-N -1 0 267.111 3.930 50 0 CHAARM O=C(Nc1nncs1)c1sc2ccccc2c1Cl ZINC000000434001 567830049 /nfs/dbraw/zinc/83/00/49/567830049.db2.gz XQNLBXVCJZDZQX-UHFFFAOYSA-N -1 0 295.776 3.659 50 0 CHAARM CC(C)Oc1ccc(C(=O)CCCCCC(=O)[O-])cc1 ZINC000002579984 567848573 /nfs/dbraw/zinc/84/85/73/567848573.db2.gz UNBIRWQBXQPCCP-UHFFFAOYSA-N -1 0 278.348 3.692 50 0 CHAARM CC(C)(C)c1ccc(C(=O)[O-])c(C(=O)c2ccccc2)c1 ZINC000003108919 567851802 /nfs/dbraw/zinc/85/18/02/567851802.db2.gz YOQDGPBVHQXIMR-UHFFFAOYSA-N -1 0 282.339 3.913 50 0 CHAARM O=c1c2ccccc2[n-]c(=S)n1CCC1=CCCCC1 ZINC000003331453 567852346 /nfs/dbraw/zinc/85/23/46/567852346.db2.gz JDECVXZEQNKTCE-UHFFFAOYSA-N -1 0 286.400 3.950 50 0 CHAARM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1F ZINC000003581620 567853236 /nfs/dbraw/zinc/85/32/36/567853236.db2.gz IQQXAJIOPIZQGR-UHFFFAOYSA-N -1 0 299.754 3.588 50 0 CHAARM O=C([O-])/C=C/c1ccc(-c2nc3ccccc3s2)o1 ZINC000004205206 567855618 /nfs/dbraw/zinc/85/56/18/567855618.db2.gz UZOULHXGHWZJSM-SOFGYWHQSA-N -1 0 271.297 3.654 50 0 CHAARM O=C([O-])[C@H]1CCCC[C@H]1c1nc2ccccc2s1 ZINC000004205785 567855956 /nfs/dbraw/zinc/85/59/56/567855956.db2.gz UYUNBKRWYMGAKX-ZJUUUORDSA-N -1 0 261.346 3.655 50 0 CHAARM O=C([O-])C1(Nc2cccc(Cl)c2)CCCCC1 ZINC000004253321 567856365 /nfs/dbraw/zinc/85/63/65/567856365.db2.gz NCPLLVAWHKQYEI-UHFFFAOYSA-N -1 0 253.729 3.539 50 0 CHAARM O=C([O-])c1ccc(Cl)c(NCc2ccccc2)c1 ZINC000016578286 567872875 /nfs/dbraw/zinc/87/28/75/567872875.db2.gz GWIIFWIAMWILDD-UHFFFAOYSA-N -1 0 261.708 3.650 50 0 CHAARM CC(C)n1c(=O)c2c3c(sc2[n-]c1=S)C[C@H](C)CC3 ZINC000017023619 567874660 /nfs/dbraw/zinc/87/46/60/567874660.db2.gz RODOWUVBULQFAY-MRVPVSSYSA-N -1 0 294.445 3.826 50 0 CHAARM O=C([O-])[C@@H]1CC=CC[C@@H]1c1cccc2ccccc21 ZINC000004031379 567888263 /nfs/dbraw/zinc/88/82/63/567888263.db2.gz WLIGHINCHMOBJZ-HZPDHXFCSA-N -1 0 252.313 3.974 50 0 CHAARM O=C([O-])[C@H]1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000034939267 567889127 /nfs/dbraw/zinc/88/91/27/567889127.db2.gz JJVOPJNIGSYPNV-UWVGGRQHSA-N -1 0 278.739 3.575 50 0 CHAARM O=C([O-])c1ccc(-c2ccc(Br)s2)s1 ZINC000038002010 567890324 /nfs/dbraw/zinc/89/03/24/567890324.db2.gz NZFOLHUYXSTVHQ-UHFFFAOYSA-N -1 0 289.175 3.937 50 0 CHAARM CN(Cc1cccs1)C(=O)c1cc2ccccc2cc1O ZINC000033000351 567891218 /nfs/dbraw/zinc/89/12/18/567891218.db2.gz JVPXVJZDQAKGPS-UHFFFAOYSA-N -1 0 297.379 3.879 50 0 CHAARM O=Cc1ccc(-c2cc(C(=O)[O-])cc(C(F)(F)F)c2)cc1 ZINC000065349763 567898583 /nfs/dbraw/zinc/89/85/83/567898583.db2.gz YDKKMWLRNXCCMN-UHFFFAOYSA-N -1 0 294.228 3.883 50 0 CHAARM COc1cccc(-c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000065349971 567898741 /nfs/dbraw/zinc/89/87/41/567898741.db2.gz SWRZETFUQIUCRC-UHFFFAOYSA-N -1 0 262.692 3.714 50 0 CHAARM Cc1ccc(-c2cc(O)cc(C(=O)[O-])c2)c2cccnc12 ZINC000067908884 567900969 /nfs/dbraw/zinc/90/09/69/567900969.db2.gz LUNMHBRITRYTNA-UHFFFAOYSA-N -1 0 279.295 3.614 50 0 CHAARM O=C([O-])c1cc(Cl)c2cccc(C(F)(F)F)c2n1 ZINC000097757482 567911177 /nfs/dbraw/zinc/91/11/77/567911177.db2.gz CEBSHFAVPPWBBZ-UHFFFAOYSA-N -1 0 275.613 3.605 50 0 CHAARM CCN(CC)c1nc(-c2ccccc2[O-])nc2ccccc21 ZINC000000119392 567923326 /nfs/dbraw/zinc/92/33/26/567923326.db2.gz TYHQUYQQYVLPAL-UHFFFAOYSA-N -1 0 293.370 3.849 50 0 CHAARM CCC(CC)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)[O-] ZINC000221031739 567925580 /nfs/dbraw/zinc/92/55/80/567925580.db2.gz XWSNHYHGZYOUTP-OLZOCXBDSA-N -1 0 299.411 3.523 50 0 CHAARM Cc1ccc(Nc2cc(C(=O)[O-])c3ccccc3n2)cc1 ZINC000000257729 567925812 /nfs/dbraw/zinc/92/58/12/567925812.db2.gz INQKTXUBNPGWHY-UHFFFAOYSA-N -1 0 278.311 3.985 50 0 CHAARM Cc1ccc(-n2nc(-c3cccs3)cc2C(=O)[O-])c(C)c1 ZINC000000324109 567926891 /nfs/dbraw/zinc/92/68/91/567926891.db2.gz OAQJISXJQFDPSP-UHFFFAOYSA-N -1 0 298.367 3.916 50 0 CHAARM O=C([O-])CCCC(=O)Nc1ccccc1-c1ccccc1 ZINC000000148187 567935356 /nfs/dbraw/zinc/93/53/56/567935356.db2.gz GFNDWJXJHFJZCQ-UHFFFAOYSA-N -1 0 283.327 3.547 50 0 CHAARM CCCCn1c(=O)c2c3c(sc2[n-]c1=S)CCCC3 ZINC000017945421 567937737 /nfs/dbraw/zinc/93/77/37/567937737.db2.gz FQHRFCAVNFPVQV-UHFFFAOYSA-N -1 0 294.445 3.799 50 0 CHAARM O=C([O-])c1ccccc1-c1cc(F)cc(Cl)c1 ZINC000065339779 570244039 /nfs/dbraw/zinc/24/40/39/570244039.db2.gz SYXWEQNEFAOHCG-UHFFFAOYSA-N -1 0 250.656 3.844 50 0 CHAARM C[C@@H](CNc1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000000386554 570266532 /nfs/dbraw/zinc/26/65/32/570266532.db2.gz YQYFKQZCAMRFDI-LBPRGKRZSA-N -1 0 271.316 3.612 50 0 CHAARM O=C([O-])C[C@H](c1ccccc1)[C@H]1CCc2ccccc2C1=O ZINC000196395079 570304110 /nfs/dbraw/zinc/30/41/10/570304110.db2.gz FNJYHUMCHFPHNB-IAGOWNOFSA-N -1 0 294.350 3.690 50 0 CHAARM COc1ccc(C(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000000345843 570382923 /nfs/dbraw/zinc/38/29/23/570382923.db2.gz RXOGDVWJMKKIQC-UHFFFAOYSA-N -1 0 278.307 3.785 50 0 CHAARM COc1cc(/C=C/C(=O)[O-])ccc1OCc1cccc(C)c1 ZINC000011960773 956900994 /nfs/dbraw/zinc/90/09/94/956900994.db2.gz AUTMVTHGSQRRAC-VQHVLOKHSA-N -1 0 298.338 3.680 50 0 CHAARM O=C([O-])CCCOc1ccc(OCc2ccccc2)cc1 ZINC000019269690 957105089 /nfs/dbraw/zinc/10/50/89/957105089.db2.gz JYEGGFMXLMBMPD-UHFFFAOYSA-N -1 0 286.327 3.509 50 0 CHAARM O=C([O-])CCCCCCC/C(=N\O)c1cccs1 ZINC000005024079 1127287973 /nfs/dbraw/zinc/28/79/73/1127287973.db2.gz OZURAJGTUCHDFH-SDNWHVSQSA-N -1 0 269.366 3.742 50 0 CHAARM O=C([O-])/C=C/c1csc(/C=C/c2cccc(F)c2)n1 ZINC000170617531 1127628067 /nfs/dbraw/zinc/62/80/67/1127628067.db2.gz HJZCQYCRMRCIEI-YDFGWWAZSA-N -1 0 275.304 3.550 50 0 CHAARM O=C([O-])c1nc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000000752124 1129770378 /nfs/dbraw/zinc/77/03/78/1129770378.db2.gz DEAYYMLJCJMWHG-UHFFFAOYSA-N -1 0 276.295 3.509 50 0 CHAARM Cc1ccc(C(=O)C=C([O-])c2cccc(Cl)c2)c(O)c1 ZINC000105991630 186096487 /nfs/dbraw/zinc/09/64/87/186096487.db2.gz SPSQILRYYDFYLQ-UHFFFAOYSA-N -1 0 288.730 3.810 50 0 CHAARM O=C([O-])/C=C/c1c(Cl)cc(OC(F)F)cc1Cl ZINC000263623851 190070533 /nfs/dbraw/zinc/07/05/33/190070533.db2.gz LGWNLQUOXZQTOL-OWOJBTEDSA-N -1 0 283.057 3.693 50 0 CHAARM O=c1oc2cc([O-])ccc2cc1-c1nc2ccccc2s1 ZINC000000146104 169553630 /nfs/dbraw/zinc/55/36/30/169553630.db2.gz CYONGLVNBSZCQH-UHFFFAOYSA-N -1 0 295.319 3.775 50 0 CHAARM CC[C@@]1(C)C[C@@](CC(=O)[O-])(c2ccc(F)cc2)CCO1 ZINC000000367124 169619979 /nfs/dbraw/zinc/61/99/79/169619979.db2.gz RMZGDUOTDZVLFS-JKSUJKDBSA-N -1 0 280.339 3.517 50 0 CHAARM Cc1ccc([C@H](CC(=O)[O-])[C@H]2CCOC(C)(C)C2)cc1 ZINC000004028774 184529457 /nfs/dbraw/zinc/52/94/57/184529457.db2.gz SJEKEWDPPWCSOR-GJZGRUSLSA-N -1 0 276.376 3.759 50 0 biogenic,in-vitro CHAARM O=C([O-])c1c(-c2ccc(Cl)cc2)cn2ccccc12 ZINC000004085164 184530999 /nfs/dbraw/zinc/53/09/99/184530999.db2.gz JJZKBDIEKNWMME-UHFFFAOYSA-N -1 0 271.703 3.958 50 0 CHAARM CC(C)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000000813859 169680054 /nfs/dbraw/zinc/68/00/54/169680054.db2.gz GAXPTVANQKWUMH-UHFFFAOYSA-N -1 0 281.402 3.672 50 0 CHAARM O=C([O-])c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000032628325 171740345 /nfs/dbraw/zinc/74/03/45/171740345.db2.gz YCKXVVIPFMCOPF-UHFFFAOYSA-N -1 0 259.010 3.710 50 0 CHAARM Cc1noc2nc(-c3ccc(Cl)cc3)cc(C(=O)[O-])c12 ZINC000002659819 169819241 /nfs/dbraw/zinc/81/92/41/169819241.db2.gz SQBMRUYRWOCEBN-UHFFFAOYSA-N -1 0 288.690 3.550 50 0 CHAARM C[P@@](=O)([O-])O[C@@H](c1cccc(Cl)c1)C(F)(F)F ZINC000004951992 170044678 /nfs/dbraw/zinc/04/46/78/170044678.db2.gz PREMATQEFWNABR-QMMMGPOBSA-N -1 0 288.589 3.775 50 0 CHAARM CC1(C)C[C@](CC(=O)[O-])(c2ccc(Cl)cc2)CCO1 ZINC000005419055 170097210 /nfs/dbraw/zinc/09/72/10/170097210.db2.gz YNABYQNSRTUFHW-HNNXBMFYSA-N -1 0 282.767 3.642 50 0 CHAARM CCCCOc1ccc(C(=O)[O-])cc1OCCCC ZINC000005466353 170101946 /nfs/dbraw/zinc/10/19/46/170101946.db2.gz NKULZYZHHWIWCP-UHFFFAOYSA-N -1 0 266.337 3.743 50 0 CHAARM O=C([O-])c1cc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1 ZINC000005685248 170128524 /nfs/dbraw/zinc/12/85/24/170128524.db2.gz MYDWMNUDBWOOMP-UHFFFAOYSA-N -1 0 298.729 3.891 50 0 CHAARM CCCc1cc2c(cc1[O-])occ(-c1ccccn1)c2=O ZINC000005686286 170128709 /nfs/dbraw/zinc/12/87/09/170128709.db2.gz KLJYGVMKJZMBQM-UHFFFAOYSA-N -1 0 281.311 3.513 50 0 biogenic CHAARM CCc1cc2c(cc1[O-])occ(Oc1ccccc1)c2=O ZINC000005686751 170129034 /nfs/dbraw/zinc/12/90/34/170129034.db2.gz NQAMVOXUFXPAIP-UHFFFAOYSA-N -1 0 282.295 3.853 50 0 biogenic CHAARM CC(C)(C)Nc1nc(-c2ccccc2[O-])nc2ccccc21 ZINC000005832380 170145154 /nfs/dbraw/zinc/14/51/54/170145154.db2.gz PDOVAUFBKXMFIG-UHFFFAOYSA-N -1 0 293.370 3.635 50 0 CHAARM Nc1cccc(-c2cc(C(=O)[O-])c3cc(Cl)ccc3n2)c1 ZINC000006392134 170197619 /nfs/dbraw/zinc/19/76/19/170197619.db2.gz SBUOPFPKQVKKNW-UHFFFAOYSA-N -1 0 298.729 3.836 50 0 CHAARM Cc1ccc(Sc2c([O-])c3ccccc3oc2=O)cc1 ZINC000006404595 170199018 /nfs/dbraw/zinc/19/90/18/170199018.db2.gz YHTKJWFEJHILPW-UHFFFAOYSA-N -1 0 284.336 3.958 50 0 CHAARM COc1cc(C(=O)[O-])cc(Cl)c1OCc1ccccc1 ZINC000006697127 170226721 /nfs/dbraw/zinc/22/67/21/170226721.db2.gz XKYLFIFHGBXXRC-UHFFFAOYSA-N -1 0 292.718 3.626 50 0 CHAARM O=C([O-])c1cc(NCc2ccc(F)cc2)ccc1Cl ZINC000006700993 170229373 /nfs/dbraw/zinc/22/93/73/170229373.db2.gz UZGJPBPXFVQCFC-UHFFFAOYSA-N -1 0 279.698 3.789 50 0 CHAARM Cc1ccc(-c2c3ccccc3c(=O)oc2C(=O)[O-])cc1C ZINC000006817467 170245962 /nfs/dbraw/zinc/24/59/62/170245962.db2.gz SKRPALRTZCBNNN-UHFFFAOYSA-N -1 0 294.306 3.775 50 0 CHAARM O=c1cc(-c2ccccc2Cl)[n-]n1-c1ccc(F)cc1 ZINC000009937432 170391622 /nfs/dbraw/zinc/39/16/22/170391622.db2.gz KCPQGHVSODMQRQ-UHFFFAOYSA-N -1 0 288.709 3.625 50 0 CHAARM O=C([O-])c1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000012404856 170485355 /nfs/dbraw/zinc/48/53/55/170485355.db2.gz YQKHGPZHWHCTQT-UHFFFAOYSA-N -1 0 274.128 3.815 50 0 CHAARM O=C([O-])c1cccc(-c2cccc(Br)c2)c1 ZINC000020391253 171179848 /nfs/dbraw/zinc/17/98/48/171179848.db2.gz MHIAOGTWZISBLM-UHFFFAOYSA-N -1 0 277.117 3.814 50 0 CHAARM O=C([O-])c1cccc(-c2ccccc2Br)c1 ZINC000020391354 171180394 /nfs/dbraw/zinc/18/03/94/171180394.db2.gz DEELEWDUQGZTHG-UHFFFAOYSA-N -1 0 277.117 3.814 50 0 CHAARM Cc1ccc(Nc2cc(C(=O)[O-])nc3ccc(C)cc32)cc1 ZINC000021657775 171318221 /nfs/dbraw/zinc/31/82/21/171318221.db2.gz MHKONBSJWJGAFJ-UHFFFAOYSA-N -1 0 292.338 3.715 50 0 CHAARM O=C([O-])C/C(=C/c1ccccc1F)c1nc2ccccc2o1 ZINC000022069603 171352288 /nfs/dbraw/zinc/35/22/88/171352288.db2.gz GWOKKKBIPDIAMI-XFXZXTDPSA-N -1 0 297.285 3.982 50 0 CHAARM O=C([O-])[C@@H]1CCCC[C@@H]1CC(=O)c1cccc(Cl)c1 ZINC000043879317 175116190 /nfs/dbraw/zinc/11/61/90/175116190.db2.gz VUDOUWMBJSNIEY-ZWNOBZJWSA-N -1 0 280.751 3.804 50 0 CHAARM O=C([O-])c1cc(-c2cccc(Cl)c2)ccc1F ZINC000044367163 175168160 /nfs/dbraw/zinc/16/81/60/175168160.db2.gz YGQKSQYQFCMGHZ-UHFFFAOYSA-N -1 0 250.656 3.844 50 0 CHAARM O=C([O-])c1c(-c2cccc(F)c2)coc1C(F)(F)F ZINC000725245083 567908134 /nfs/dbraw/zinc/90/81/34/567908134.db2.gz AAWJJGAKQFOLCB-UHFFFAOYSA-N -1 0 274.169 3.803 50 0 CHAARM Cc1ccc(-c2noc(C(C)C)c2C(=O)[O-])s1 ZINC000675057354 570364619 /nfs/dbraw/zinc/36/46/19/570364619.db2.gz CEYQKDDYMAFXIM-UHFFFAOYSA-N -1 0 251.307 3.533 50 0 CHAARM C[C@@H](Sc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000011993907 570394830 /nfs/dbraw/zinc/39/48/30/570394830.db2.gz XECKVRUWGDNORW-RXMQYKEDSA-N -1 0 251.134 3.559 50 0 CHAARM O=C([O-])/C=C/c1ccc2noc(-c3ccccc3)c2c1 ZINC000003399241 566850992 /nfs/dbraw/zinc/85/09/92/566850992.db2.gz FCMHXGNYHDXIPU-VQHVLOKHSA-N -1 0 265.268 3.593 50 0 CHAARM Cc1ccc(-c2csc3c2[n-]c(=S)n(C)c3=O)cc1 ZINC000062591974 566878137 /nfs/dbraw/zinc/87/81/37/566878137.db2.gz IVULOSXKKVSFEM-UHFFFAOYSA-N -1 0 288.397 3.633 50 0 CHAARM O=C(Nc1ccccc1)N(O)c1ccc(Cl)cc1 ZINC000000212975 566900401 /nfs/dbraw/zinc/90/04/01/566900401.db2.gz VPKUSXKFSBUBSQ-UHFFFAOYSA-N -1 0 262.696 3.768 50 0 CHAARM CC1(C)O[C@@](CC(=O)[O-])(c2ccccc2)c2ccccc21 ZINC000000044415 566945621 /nfs/dbraw/zinc/94/56/21/566945621.db2.gz XZDWFIPVXCBFHL-SFHVURJKSA-N -1 0 282.339 3.670 50 0 CHAARM C[C@@H]1CCC[C@@H](n2cnc3cc(C(=O)[O-])ccc32)[C@H]1C ZINC000242538762 566968079 /nfs/dbraw/zinc/96/80/79/566968079.db2.gz JFJGSDXMDSYRFY-UHIISALHSA-N -1 0 272.348 3.732 50 0 CHAARM COc1cccc2c(C(=O)[O-])cc(-c3ccccc3)nc12 ZINC000000094586 567046631 /nfs/dbraw/zinc/04/66/31/567046631.db2.gz ASHDEYOBUFZOND-UHFFFAOYSA-N -1 0 279.295 3.609 50 0 CHAARM O=C([O-])c1c(Cc2ccccc2)cnc2ccccc21 ZINC000019898994 567088107 /nfs/dbraw/zinc/08/81/07/567088107.db2.gz KKLSUWDVMGAXKC-UHFFFAOYSA-N -1 0 263.296 3.524 50 0 CHAARM O=C([O-])c1cccc(Nc2nc(-c3ccccn3)cs2)c1 ZINC000000088261 567817883 /nfs/dbraw/zinc/81/78/83/567817883.db2.gz AHNQVGWWBKRTON-UHFFFAOYSA-N -1 0 297.339 3.647 50 0 CHAARM COC(=O)c1sc2c(c1C(=O)[O-])c(C)c(Cl)cc2C ZINC000000103180 567818259 /nfs/dbraw/zinc/81/82/59/567818259.db2.gz SIUOBKUZCVQQDI-UHFFFAOYSA-N -1 0 298.747 3.656 50 0 CHAARM O=C([O-])c1cc(-c2ccccc2)oc1C(F)(F)F ZINC000000113667 567818776 /nfs/dbraw/zinc/81/87/76/567818776.db2.gz IEFJRMAEBBJXSY-UHFFFAOYSA-N -1 0 256.179 3.664 50 0 CHAARM O=C([O-])c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000000156744 567820872 /nfs/dbraw/zinc/82/08/72/567820872.db2.gz GNXLBNMHCYYSPU-UHFFFAOYSA-N -1 0 257.072 3.952 50 0 CHAARM COc1ccc(Oc2ccccc2/C=C/C(=O)[O-])cc1 ZINC000000167654 567821025 /nfs/dbraw/zinc/82/10/25/567821025.db2.gz RUKABNVTKNTHTM-IZZDOVSWSA-N -1 0 270.284 3.585 50 0 CHAARM FC(F)(F)Oc1cc(Br)ccc1[S-] ZINC000000167282 567821160 /nfs/dbraw/zinc/82/11/60/567821160.db2.gz WWZNHDMEBZHFTK-UHFFFAOYSA-N -1 0 273.073 3.636 50 0 CHAARM O=C([O-])c1ccc2c(c1)ncn2C1CCCCCC1 ZINC000000257592 567823355 /nfs/dbraw/zinc/82/33/55/567823355.db2.gz RRDSXPQGOFYKPD-UHFFFAOYSA-N -1 0 258.321 3.630 50 0 CHAARM Cc1ccc(-c2cc(C(=O)[O-])n(-c3ccc(C)cc3)n2)cc1 ZINC000000732369 567834818 /nfs/dbraw/zinc/83/48/18/567834818.db2.gz IULSGBRCLDRMNN-UHFFFAOYSA-N -1 0 292.338 3.854 50 0 CHAARM O=C([O-])CP(=O)(Cc1ccccc1)Cc1ccccc1 ZINC000001498230 567837495 /nfs/dbraw/zinc/83/74/95/567837495.db2.gz LWTBMQSYNNQGAJ-UHFFFAOYSA-N -1 0 288.283 3.835 50 0 CHAARM [O-]C(c1ccc(Cl)cc1)(C(F)(F)F)C(F)(F)F ZINC000002168553 567845239 /nfs/dbraw/zinc/84/52/39/567845239.db2.gz BDVVJTPJVCAQGG-UHFFFAOYSA-N -1 0 278.579 3.652 50 0 CHAARM Cc1cc(Cl)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000002521390 567847370 /nfs/dbraw/zinc/84/73/70/567847370.db2.gz OTZHOWDFRVZJIV-UHFFFAOYSA-N -1 0 266.680 3.519 50 0 CHAARM CCCCOc1c(Cl)cc(C(=O)[O-])cc1OCC ZINC000002656420 567848716 /nfs/dbraw/zinc/84/87/16/567848716.db2.gz GDSHBAGQRADQSZ-UHFFFAOYSA-N -1 0 272.728 3.616 50 0 CHAARM CCc1cccc2c(C(=O)[O-])cc(-c3cccnc3)nc12 ZINC000003756718 567853435 /nfs/dbraw/zinc/85/34/35/567853435.db2.gz JVOGUXISJHCJGX-UHFFFAOYSA-N -1 0 278.311 3.557 50 0 CHAARM CCCCc1cc2c(cc1[O-])oc(C)c(-c1cc[nH]n1)c2=O ZINC000004258328 567856416 /nfs/dbraw/zinc/85/64/16/567856416.db2.gz KWRKZVDNGOYDMP-UHFFFAOYSA-N -1 0 298.342 3.540 50 0 CHAARM O=C([O-])c1ccccc1NCc1ccc(Cl)cc1 ZINC000004638823 567858618 /nfs/dbraw/zinc/85/86/18/567858618.db2.gz PYDHJEAJTKCFKR-UHFFFAOYSA-N -1 0 261.708 3.650 50 0 CHAARM CCOc1cc(C(=O)[O-])ccc1-c1ccccc1C ZINC000097758259 567861878 /nfs/dbraw/zinc/86/18/78/567861878.db2.gz UXCNTOVLXUPFQO-UHFFFAOYSA-N -1 0 256.301 3.759 50 0 CHAARM Cc1cc(C(F)(F)F)nc([N-]c2nc3ccccc3o2)n1 ZINC000017197286 567875157 /nfs/dbraw/zinc/87/51/57/567875157.db2.gz YBURNLBJHMYLSS-UHFFFAOYSA-N -1 0 294.236 3.689 50 0 CHAARM O=C([O-])c1ccnc(Nc2cccc(C(F)(F)F)c2)c1 ZINC000019844788 567879363 /nfs/dbraw/zinc/87/93/63/567879363.db2.gz CCEZKEOIHLDIGL-UHFFFAOYSA-N -1 0 282.221 3.542 50 0 CHAARM Cc1ccc(C([O-])=CC(=O)c2cc(Cl)ccc2O)cc1 ZINC000100537074 567886296 /nfs/dbraw/zinc/88/62/96/567886296.db2.gz PCXVRLLWCOPLOM-UHFFFAOYSA-N -1 0 288.730 3.810 50 0 CHAARM Cc1c2cc(Br)cc(Cl)c2oc1C(=O)[O-] ZINC000036928504 567889711 /nfs/dbraw/zinc/88/97/11/567889711.db2.gz WUTGYKZDTLTOEG-UHFFFAOYSA-N -1 0 289.512 3.855 50 0 CHAARM CCCCc1ccc(C(=O)CC(C)(C)C(=O)[O-])cc1 ZINC000043214250 567892348 /nfs/dbraw/zinc/89/23/48/567892348.db2.gz UHRHQEDZAQNGKZ-UHFFFAOYSA-N -1 0 262.349 3.713 50 0 CHAARM C[C@H](c1cccs1)[N@H+](C)Cc1ccccc1C(=O)[O-] ZINC000049727608 567893548 /nfs/dbraw/zinc/89/35/48/567893548.db2.gz NBXSICWJVDAXAC-LLVKDONJSA-N -1 0 275.373 3.639 50 0 CHAARM Cc1ccc(Cn2c3ccccc3c(C=O)c2C(=O)[O-])cc1 ZINC000004636230 567897120 /nfs/dbraw/zinc/89/71/20/567897120.db2.gz MSGSQSGYWXIHAC-UHFFFAOYSA-N -1 0 293.322 3.509 50 0 CHAARM O=C([O-])c1ccc(Oc2cc(F)cc(C(F)(F)F)c2)o1 ZINC000064037979 567897666 /nfs/dbraw/zinc/89/76/66/567897666.db2.gz MRBYFFDOXJVZMS-UHFFFAOYSA-N -1 0 290.168 3.928 50 0 CHAARM CCN(CC)c1c(Cl)c(Cl)nc(Cl)c1C(=O)[O-] ZINC000000054381 567906289 /nfs/dbraw/zinc/90/62/89/567906289.db2.gz OWEAZFFPZFYJEY-UHFFFAOYSA-N -1 0 297.569 3.586 50 0 CHAARM CCc1ccc(-c2csc(-n3[n-]c(C)c(C)c3=O)n2)cc1 ZINC000104158704 567916185 /nfs/dbraw/zinc/91/61/85/567916185.db2.gz VASJPLKJADJPMP-SNVBAGLBSA-N -1 0 299.399 3.731 50 0 CHAARM N#C/C(=C/c1ccc(-c2nc3ccccc3s2)o1)C(=O)[O-] ZINC000072283570 567916953 /nfs/dbraw/zinc/91/69/53/567916953.db2.gz VJGKUKDTUBWPKB-CLFYSBASSA-N -1 0 296.307 3.548 50 0 CHAARM CC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)o1 ZINC000000269399 567925710 /nfs/dbraw/zinc/92/57/10/567925710.db2.gz CZUVNOAPKYOHKR-UHFFFAOYSA-N -1 0 287.315 3.528 50 0 CHAARM Cc1cccc2c(C)nc(Nc3nc(C)c(C)c(C)n3)nc12 ZINC000000286928 567926152 /nfs/dbraw/zinc/92/61/52/567926152.db2.gz RNKNZWUDZPDKPF-UHFFFAOYSA-N -1 0 293.374 3.706 50 0 CHAARM C[C@H]1CCCC[C@@H]1n1c(=O)c2ccccc2[n-]c1=S ZINC000000425226 567930435 /nfs/dbraw/zinc/93/04/35/567930435.db2.gz LWNRFDYFXURUJL-GWCFXTLKSA-N -1 0 274.389 3.810 50 0 CHAARM O=c1cc(-c2ccccc2)nc2cc(-c3cccs3)[n-]n21 ZINC000100549442 567936777 /nfs/dbraw/zinc/93/67/77/567936777.db2.gz HKISFNYFHJISLY-UHFFFAOYSA-N -1 0 293.351 3.830 50 0 CHAARM Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1CCc1ccccc1 ZINC000017879216 567937602 /nfs/dbraw/zinc/93/76/02/567937602.db2.gz LOYPRWOUXJJOCP-UHFFFAOYSA-N -1 0 292.382 3.568 50 0 CHAARM Cc1cccc(C(=O)C=C([O-])c2cccc(C)c2)c1 ZINC000100914590 567939419 /nfs/dbraw/zinc/93/94/19/567939419.db2.gz IPRKTKNRGBZOMY-UHFFFAOYSA-N -1 0 252.313 3.759 50 0 CHAARM Cc1ccc([C@@]2(CC(=O)[O-])CCO[C@H](C(C)C)C2)cc1 ZINC000000488610 567939779 /nfs/dbraw/zinc/93/97/79/567939779.db2.gz ZSAAYPTYOKXXHF-RDJZCZTQSA-N -1 0 276.376 3.543 50 0 biogenic CHAARM O=C(NC1CCCCCCC1)c1ccc([O-])c(Cl)c1 ZINC000012926994 567940943 /nfs/dbraw/zinc/94/09/43/567940943.db2.gz BHLHBVJOSIGCBT-UHFFFAOYSA-N -1 0 281.783 3.888 50 0 CHAARM Cc1ccc(N[C@@H](c2cccc(C)c2)[P@@](=O)([O-])O)cc1 ZINC000024769591 567947339 /nfs/dbraw/zinc/94/73/39/567947339.db2.gz VWSLPJQOQNPAPB-OAHLLOKOSA-N -1 0 291.287 3.592 50 0 CHAARM O=C([O-])CCCC(=O)Nc1ccc(Nc2ccccc2)cc1 ZINC000000399095 570218622 /nfs/dbraw/zinc/21/86/22/570218622.db2.gz XEVSFQMLEIHASG-UHFFFAOYSA-N -1 0 298.342 3.624 50 0 CHAARM [O-]c1c(Br)ccc(OCc2ccccc2)c1F ZINC000065337293 570244058 /nfs/dbraw/zinc/24/40/58/570244058.db2.gz WDWMIQICZJPVHB-UHFFFAOYSA-N -1 0 297.123 3.873 50 0 CHAARM CC(C)c1nc2sc3c([n-]cnc3=O)c2c2c1CCCC2 ZINC000018084952 570283176 /nfs/dbraw/zinc/28/31/76/570283176.db2.gz SJCUIRNGPRXCAD-UHFFFAOYSA-N -1 0 299.399 3.535 50 0 CHAARM O=C([O-])CC1(CC(=O)Nc2ccc(Cl)cc2)CCCC1 ZINC000000553883 570287718 /nfs/dbraw/zinc/28/77/18/570287718.db2.gz VAUQONGYWKKNTP-UHFFFAOYSA-N -1 0 295.766 3.704 50 0 CHAARM CCCc1onc(-c2sccc2Cl)c1C(=O)[O-] ZINC000675057310 570364670 /nfs/dbraw/zinc/36/46/70/570364670.db2.gz AEISQQFFZILJSA-UHFFFAOYSA-N -1 0 271.725 3.707 50 0 CHAARM Cc1ccc(NN=Cc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000254558644 961320866 /nfs/dbraw/zinc/32/08/66/961320866.db2.gz PRCXRERQAJTNTE-UHFFFAOYSA-N -1 0 288.734 3.793 50 0 CHAARM CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1cccs1 ZINC000254824193 1127160297 /nfs/dbraw/zinc/16/02/97/1127160297.db2.gz HNUSFGDHNCQHKJ-UHFFFAOYSA-N -1 0 294.763 3.936 50 0 CHAARM O=C([O-])C/C(=C\c1cccnc1)c1nc2ccccc2s1 ZINC000007587159 1127701112 /nfs/dbraw/zinc/70/11/12/1127701112.db2.gz XWMJAXAITQZJNC-XYOKQWHBSA-N -1 0 296.351 3.707 50 0 CHAARM CCOc1ccc(/C=C(/C(=O)[O-])c2cccs2)cc1 ZINC000034855361 1128238077 /nfs/dbraw/zinc/23/80/77/1128238077.db2.gz PZCSQTLUNYNINW-JLHYYAGUSA-N -1 0 274.341 3.772 50 0 CHAARM O=C([O-])c1ccc(Cl)cc1Oc1ccc(F)cc1 ZINC000060130370 1118512732 /nfs/dbraw/zinc/51/27/32/1118512732.db2.gz YZDVBIUEBCTERM-UHFFFAOYSA-N -1 0 266.655 3.970 50 0 CHAARM CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(C(=O)[O-])s1 ZINC000114330688 1120229017 /nfs/dbraw/zinc/22/90/17/1120229017.db2.gz BOVWWZSFTTXBDQ-SECBINFHSA-N -1 0 297.376 3.518 50 0 CHAARM CCCCC[C@@H](C(=O)[O-])[C@@H](C)CC(=O)NC1CCCCC1 ZINC000002227720 1122789147 /nfs/dbraw/zinc/78/91/47/1122789147.db2.gz DDWWBWGWCOFFDU-DZGCQCFKSA-N -1 0 297.439 3.743 50 0 CHAARM O=C([O-])C/C(=C/c1cccnc1)c1nc2ccccc2s1 ZINC000022025300 1124110251 /nfs/dbraw/zinc/11/02/51/1124110251.db2.gz XWMJAXAITQZJNC-WQLSENKSSA-N -1 0 296.351 3.707 50 0 CHAARM O=C(C[C@H]1CC[C@@H](C(=O)[O-])CC1)c1ccc(Cl)cc1 ZINC000100449390 230391956 /nfs/dbraw/zinc/39/19/56/230391956.db2.gz COYXELRUTBMBIR-UMSPYCQHSA-N -1 0 280.751 3.804 50 0 CHAARM Cc1cc(-c2cccc3ncccc32)nc(C)c1C(=O)[O-] ZINC000220594314 230397566 /nfs/dbraw/zinc/39/75/66/230397566.db2.gz LURADMNEELUEAT-UHFFFAOYSA-N -1 0 278.311 3.612 50 0 CHAARM O=C([O-])/C=C/c1cc(Cl)c(OC(F)F)c(Cl)c1 ZINC000263622780 190070226 /nfs/dbraw/zinc/07/02/26/190070226.db2.gz AWKICYBGHWPBPT-OWOJBTEDSA-N -1 0 283.057 3.693 50 0 CHAARM Cc1ccc(Oc2ccc(CCC(=O)[O-])cc2)cc1 ZINC000011892111 170454870 /nfs/dbraw/zinc/45/48/70/170454870.db2.gz MPQSXWBRYQHUQC-UHFFFAOYSA-N -1 0 256.301 3.805 50 0 CHAARM COc1cccc(-c2cc(C(=O)[O-])c3ccccc3n2)c1 ZINC000000035779 169512196 /nfs/dbraw/zinc/51/21/96/169512196.db2.gz YBOFRTWITLNSGS-UHFFFAOYSA-N -1 0 279.295 3.609 50 0 CHAARM O=C([O-])[C@@]1(c2ccccc2)CC[C@H](Nc2ccccc2)C1 ZINC000000295340 169599867 /nfs/dbraw/zinc/59/98/67/169599867.db2.gz HTLWNNFFJOTFAH-WMZOPIPTSA-N -1 0 281.355 3.674 50 0 CHAARM O=C([O-])c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000000352242 169615130 /nfs/dbraw/zinc/61/51/30/169615130.db2.gz JHLATFKKYWPLEJ-UHFFFAOYSA-N -1 0 298.729 3.891 50 0 CHAARM COc1ccc(/C=C/C(=O)[O-])cc1COc1ccccc1C ZINC000000374025 169621816 /nfs/dbraw/zinc/62/18/16/169621816.db2.gz FOMRZDQEPYLFFG-CSKARUKUSA-N -1 0 298.338 3.680 50 0 CHAARM O=C([O-])c1ccccc1NC(=O)Nc1cccc(Cl)c1 ZINC000000397443 169630163 /nfs/dbraw/zinc/63/01/63/169630163.db2.gz LCZQWCSGKIRNIT-UHFFFAOYSA-N -1 0 290.706 3.682 50 0 CHAARM O=C([O-])[C@@H](CC(=O)c1ccccc1)c1cccc(Cl)c1 ZINC000001397567 169701312 /nfs/dbraw/zinc/70/13/12/169701312.db2.gz JPDTZXQICAHODL-AWEZNQCLSA-N -1 0 288.730 3.781 50 0 CHAARM Cc1ccc2c(C(=O)[O-])cc(-c3ccncc3)nc2c1C ZINC000001459180 169707433 /nfs/dbraw/zinc/70/74/33/169707433.db2.gz GNDKYYUFMPDBSD-UHFFFAOYSA-N -1 0 278.311 3.612 50 0 CHAARM O=C([O-])CCCOc1cc(Cl)c(Cl)cc1Cl ZINC000001680047 169740296 /nfs/dbraw/zinc/74/02/96/169740296.db2.gz RTWCZQFXFMXXKP-UHFFFAOYSA-N -1 0 283.538 3.890 50 0 CHAARM C[C@@H]1CC[C@H]2[C@@H](C1)Nc1c(C(=O)[O-])cccc1C2(C)C ZINC000002111294 169774899 /nfs/dbraw/zinc/77/48/99/169774899.db2.gz AXJHPUBYXHXNHC-SCDSUCTJSA-N -1 0 273.376 3.893 50 0 CHAARM O=C([O-])CCCCCCC(=O)c1ccccc1Cl ZINC000002518021 169800418 /nfs/dbraw/zinc/80/04/18/169800418.db2.gz WZQZLNOXRQSGBB-UHFFFAOYSA-N -1 0 268.740 3.948 50 0 CHAARM CCCCCCn1c(=O)c2ccccc2[n-]c1=S ZINC000004864208 170032750 /nfs/dbraw/zinc/03/27/50/170032750.db2.gz LRZRCLMFQJSTGU-UHFFFAOYSA-N -1 0 262.378 3.639 50 0 CHAARM Cc1cccc2c(C(=O)[O-])cc(-c3ccccc3O)nc12 ZINC000005175815 170073506 /nfs/dbraw/zinc/07/35/06/170073506.db2.gz WWYPLHNZZASFOD-UHFFFAOYSA-N -1 0 279.295 3.614 50 0 CHAARM CCC(C)(C)[C@@H]1CCc2c(C(=O)[O-])csc2C1 ZINC000005916590 170154817 /nfs/dbraw/zinc/15/48/17/170154817.db2.gz WWUGTZPJDPJNHC-SECBINFHSA-N -1 0 252.379 3.987 50 0 CHAARM O=C([O-])c1cc(-c2ccc(C3CCCCC3)cc2)[nH]n1 ZINC000006849514 170248666 /nfs/dbraw/zinc/24/86/66/170248666.db2.gz VWQGKXCGAQZNHB-UHFFFAOYSA-N -1 0 270.332 3.823 50 0 CHAARM Cc1ccc(C)c(NC(=O)CC2(C(=O)[O-])CCCCC2)c1 ZINC000008987276 170360481 /nfs/dbraw/zinc/36/04/81/170360481.db2.gz QYPUDRSCMFNVES-UHFFFAOYSA-N -1 0 289.375 3.667 50 0 CHAARM O=C([O-])c1ccc(Oc2ccccc2Br)o1 ZINC000012336536 170476483 /nfs/dbraw/zinc/47/64/83/170476483.db2.gz KFHNUUPDODOIQS-UHFFFAOYSA-N -1 0 283.077 3.533 50 0 CHAARM O=C([O-])CCCc1ccc2c(c1)-c1ccccc1C2 ZINC000019979782 170958447 /nfs/dbraw/zinc/95/84/47/170958447.db2.gz ZMADNJOXXYWVRY-UHFFFAOYSA-N -1 0 252.313 3.665 50 0 CHAARM CC(C)COC(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000021786779 171322635 /nfs/dbraw/zinc/32/26/35/171322635.db2.gz TZBARYVWRIWADE-UHFFFAOYSA-N -1 0 287.315 3.743 50 0 CHAARM O=C([O-])c1ccc(Oc2ccc(Cl)cc2)c(F)c1 ZINC000021814208 171331324 /nfs/dbraw/zinc/33/13/24/171331324.db2.gz UQJALKVLLYUWIN-UHFFFAOYSA-N -1 0 266.655 3.970 50 0 CHAARM O=C([O-])c1cc(-c2ccccc2F)nc2onc(C3CC3)c21 ZINC000022218559 171376613 /nfs/dbraw/zinc/37/66/13/171376613.db2.gz HSCNSRQQNPFKTB-UHFFFAOYSA-N -1 0 298.273 3.605 50 0 CHAARM O=C([O-])/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000033373878 171787175 /nfs/dbraw/zinc/78/71/75/171787175.db2.gz IZKCKOPHMWHBHR-UPHRSURJSA-N -1 0 284.155 3.822 50 0 CHAARM FC(F)(F)c1ccc([S-])c(Br)c1 ZINC000036532977 172638766 /nfs/dbraw/zinc/63/87/66/172638766.db2.gz GTBJPCSVDHUDFU-UHFFFAOYSA-N -1 0 257.074 3.757 50 0 CHAARM O=C([O-])c1occc1COc1cccc2ccccc21 ZINC000037333235 173134295 /nfs/dbraw/zinc/13/42/95/173134295.db2.gz ZSOATTIWYOWROR-UHFFFAOYSA-N -1 0 268.268 3.710 50 0 CHAARM O=C([O-])c1cncc(-c2cc(Cl)cc(Cl)c2)c1 ZINC000039927572 174174727 /nfs/dbraw/zinc/17/47/27/174174727.db2.gz JBANHRCWVIXXHZ-UHFFFAOYSA-N -1 0 268.099 3.754 50 0 CHAARM O=C([O-])CCn1ccc2ccc(OCc3ccccc3)cc21 ZINC000040162955 174196851 /nfs/dbraw/zinc/19/68/51/174196851.db2.gz PGFBWFPGEYRHRT-UHFFFAOYSA-N -1 0 295.338 3.695 50 0 CHAARM O=C([O-])[C@@H]1CCCC[C@@H]1CC(=O)c1ccccc1Cl ZINC000043879330 175116308 /nfs/dbraw/zinc/11/63/08/175116308.db2.gz AJTOSXBKVUQNOE-GHMZBOCLSA-N -1 0 280.751 3.804 50 0 CHAARM Cc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000044253144 175156376 /nfs/dbraw/zinc/15/63/76/175156376.db2.gz SBLVCQDSZXIYAT-UHFFFAOYSA-N -1 0 299.754 3.588 50 0 CHAARM CCCCC[C@H](C)NC(=O)[C@@H]1CC(C)=C(C)C[C@H]1C(=O)[O-] ZINC000239439100 520307127 /nfs/dbraw/zinc/30/71/27/520307127.db2.gz ZKMOMRBJRDQHJW-RRFJBIMHSA-N -1 0 295.423 3.519 50 0 CHAARM CCC[C@H](C(=O)[O-])[C@H](C)CC(=O)Nc1ccccc1Cl ZINC000001874016 527990675 /nfs/dbraw/zinc/99/06/75/527990675.db2.gz ANUOYPJLLANBOF-MNOVXSKESA-N -1 0 297.782 3.806 50 0 CHAARM CCCCC[C@H](C)OC(=O)c1ccccc1C(=O)[O-] ZINC000003080853 560188538 /nfs/dbraw/zinc/18/85/38/560188538.db2.gz NTIWNFLUZQSLDR-NSHDSACASA-N -1 0 264.321 3.510 50 0 in-vitro CHAARM O=C([O-])c1ncc(C(F)(F)F)cc1-c1ccc(F)cc1 ZINC000047205272 566890178 /nfs/dbraw/zinc/89/01/78/566890178.db2.gz YYDDIPMJYFUEHC-UHFFFAOYSA-N -1 0 285.196 3.605 50 0 CHAARM O=C([O-])c1nc(C(F)(F)F)ccc1-c1ccc(F)cc1 ZINC000047206354 566890363 /nfs/dbraw/zinc/89/03/63/566890363.db2.gz WQOWPBOBPBOLND-UHFFFAOYSA-N -1 0 285.196 3.605 50 0 CHAARM O=C([O-])Cc1c2cccc(F)c2[nH]c1-c1ccc(F)cc1 ZINC000003742527 566909395 /nfs/dbraw/zinc/90/93/95/566909395.db2.gz JHHMQCAAPCFYCB-UHFFFAOYSA-N -1 0 287.265 3.740 50 0 CHAARM O=C([O-])/C=C/c1sc2ccccc2c1Br ZINC000004542773 566912370 /nfs/dbraw/zinc/91/23/70/566912370.db2.gz IRZGJNQLUINRPF-AATRIKPKSA-N -1 0 283.146 3.762 50 0 CHAARM C[C@H](CC(=O)c1ccc(-c2ccc(F)cc2)cc1)C(=O)[O-] ZINC000043190847 566917727 /nfs/dbraw/zinc/91/77/27/566917727.db2.gz NOZRJRKRYZIYSD-LLVKDONJSA-N -1 0 286.302 3.786 50 0 CHAARM O=C([O-])c1ccccc1Cc1ccc2c(c1)CCCC2 ZINC000000400398 567055359 /nfs/dbraw/zinc/05/53/59/567055359.db2.gz DIQIMRBTAXGZBW-UHFFFAOYSA-N -1 0 266.340 3.854 50 0 CHAARM CN(C)c1ccc(N=Nc2ccccc2C(=O)[O-])cc1 ZINC000012358622 567088902 /nfs/dbraw/zinc/08/89/02/567088902.db2.gz CEQFOVLGLXCDCX-UHFFFAOYSA-N -1 0 269.304 3.866 50 0 CHAARM O=c1c(-c2ccccc2Cl)coc2cc([O-])cc(O)c12 ZINC000094993400 567127044 /nfs/dbraw/zinc/12/70/44/567127044.db2.gz JHHIXMLRBKTPEW-UHFFFAOYSA-N -1 0 288.686 3.525 50 0 CHAARM CCc1cccc(NC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000020545987 567136131 /nfs/dbraw/zinc/13/61/31/567136131.db2.gz FHQMKXAFCOCOSB-UHFFFAOYSA-N -1 0 275.735 3.860 50 0 CHAARM COc1ccc2oc(COc3ccccc3)c(C(=O)[O-])c2c1 ZINC000000117076 567818626 /nfs/dbraw/zinc/81/86/26/567818626.db2.gz VXPJOUXBJFJWJI-UHFFFAOYSA-N -1 0 298.294 3.719 50 0 CHAARM O=C([O-])[C@H]1CC(c2ccccc2)=Nc2ccccc2S1 ZINC000000187342 567821866 /nfs/dbraw/zinc/82/18/66/567821866.db2.gz BUHNCRFGISFTRP-OAHLLOKOSA-N -1 0 283.352 3.756 50 0 CHAARM CCc1ccc(-c2csc([N-]c3ncccn3)n2)cc1 ZINC000000202118 567822181 /nfs/dbraw/zinc/82/21/81/567822181.db2.gz PDBOZPCCWSWHAC-UHFFFAOYSA-N -1 0 282.372 3.906 50 0 CHAARM Cc1ccc(C)n1-c1c2c(sc1C(=O)[O-])CCCC2 ZINC000000207822 567822264 /nfs/dbraw/zinc/82/22/64/567822264.db2.gz DAAHOEKJSSYDKX-UHFFFAOYSA-N -1 0 275.373 3.733 50 0 CHAARM CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[O-])cc1 ZINC000000445655 567830722 /nfs/dbraw/zinc/83/07/22/567830722.db2.gz SKCJKBXIMKWSQV-UHFFFAOYSA-N -1 0 292.338 3.800 50 0 CHAARM CC1(C)C[C@@H]([C@@H](CC(=O)[O-])Cc2ccccc2)CCO1 ZINC000000519655 567833227 /nfs/dbraw/zinc/83/32/27/567833227.db2.gz YKPUDDGWRMLKKI-LSDHHAIUSA-N -1 0 276.376 3.525 50 0 biogenic,in-vitro CHAARM CC1(C)C[C@@H]([C@H](CC(=O)[O-])Cc2ccccc2)CCO1 ZINC000000519653 567833376 /nfs/dbraw/zinc/83/33/76/567833376.db2.gz YKPUDDGWRMLKKI-GJZGRUSLSA-N -1 0 276.376 3.525 50 0 biogenic,in-vitro CHAARM O=C([O-])c1cccc(NCc2ccc(Cl)cc2)c1 ZINC000000575150 567833901 /nfs/dbraw/zinc/83/39/01/567833901.db2.gz IQFUDPRNOBVNAC-UHFFFAOYSA-N -1 0 261.708 3.650 50 0 CHAARM Cc1ccc(-c2cc(C(=O)[O-])n(-c3ccc(F)cc3)n2)cc1 ZINC000000732372 567834811 /nfs/dbraw/zinc/83/48/11/567834811.db2.gz ZPBGWTCGAIMEMV-UHFFFAOYSA-N -1 0 296.301 3.685 50 0 CHAARM COc1c(C)cc(C(=O)CCCCCCC(=O)[O-])cc1C ZINC000002378632 567845409 /nfs/dbraw/zinc/84/54/09/567845409.db2.gz IYMUFESJGLBMTQ-UHFFFAOYSA-N -1 0 292.375 3.920 50 0 CHAARM O=C([O-])CCCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000002378749 567845509 /nfs/dbraw/zinc/84/55/09/567845509.db2.gz KKXBBXORYRVHQT-UHFFFAOYSA-N -1 0 268.312 3.791 50 0 CHAARM O=C([O-])c1cccnc1SC/C=C/c1ccccc1 ZINC000002383716 567846046 /nfs/dbraw/zinc/84/60/46/567846046.db2.gz QJXFXWNDLUHFEU-VMPITWQZSA-N -1 0 271.341 3.585 50 0 CHAARM Cc1cc(OCc2ccc(C(=O)[O-])o2)cc(C)c1Cl ZINC000002521389 567847494 /nfs/dbraw/zinc/84/74/94/567847494.db2.gz PKAGAGHZBLSWLS-UHFFFAOYSA-N -1 0 280.707 3.827 50 0 CHAARM O=C([O-])c1cc(-c2cccc(O)c2)nc2c(Cl)cccc12 ZINC000002521443 567847514 /nfs/dbraw/zinc/84/75/14/567847514.db2.gz LPDRLEUXWCWYNY-UHFFFAOYSA-N -1 0 299.713 3.959 50 0 CHAARM O=C([O-])c1cc(-c2ccccn2)nc2ccc(Cl)cc21 ZINC000002521464 567847571 /nfs/dbraw/zinc/84/75/71/567847571.db2.gz WPDNUGLTULFDQJ-UHFFFAOYSA-N -1 0 284.702 3.648 50 0 CHAARM O=C([O-])CCCCCC(=O)c1cccc(C(F)(F)F)c1 ZINC000002579912 567848413 /nfs/dbraw/zinc/84/84/13/567848413.db2.gz WLBWMKYXVVNJTJ-UHFFFAOYSA-N -1 0 288.265 3.923 50 0 CHAARM CCCCc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000002685264 567848890 /nfs/dbraw/zinc/84/88/90/567848890.db2.gz VAEVVOVFCIBMLC-UHFFFAOYSA-N -1 0 295.429 3.892 50 0 CHAARM Cc1ccc2[nH]c(-c3ccccc3)c(CC(=O)[O-])c2c1 ZINC000003752514 567853376 /nfs/dbraw/zinc/85/33/76/567853376.db2.gz TWHNRDPIXIDWIC-UHFFFAOYSA-N -1 0 265.312 3.770 50 0 CHAARM C[C@@H]1CCC[C@@H](n2cnc3cc(C(=O)[O-])ccc32)[C@@H]1C ZINC000003913519 567854717 /nfs/dbraw/zinc/85/47/17/567854717.db2.gz JFJGSDXMDSYRFY-JTNHKYCSSA-N -1 0 272.348 3.732 50 0 CHAARM O=C([O-])c1ccccc1Nc1ccnc(C(F)(F)F)c1 ZINC000004053425 567854936 /nfs/dbraw/zinc/85/49/36/567854936.db2.gz HBIPTBWKXDEDEJ-UHFFFAOYSA-N -1 0 282.221 3.542 50 0 CHAARM COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)[O-])cc1 ZINC000004218559 567855982 /nfs/dbraw/zinc/85/59/82/567855982.db2.gz AYISILBMVSEZSN-UHFFFAOYSA-N -1 0 295.338 3.861 50 0 CHAARM O=C([O-])CSc1ccc(C(F)(F)F)cc1Cl ZINC000004343569 567856858 /nfs/dbraw/zinc/85/68/58/567856858.db2.gz GPJDMXJGIQPTBZ-UHFFFAOYSA-N -1 0 270.659 3.536 50 0 CHAARM O=C([O-])c1ccc(COc2ccc(Cl)cc2)s1 ZINC000012357623 567862514 /nfs/dbraw/zinc/86/25/14/567862514.db2.gz FPNZMBIETZGMFF-UHFFFAOYSA-N -1 0 268.721 3.679 50 0 CHAARM Fc1ccc(-c2cc(C(F)(F)F)[nH]c(=S)n2)cc1 ZINC000012345077 567862650 /nfs/dbraw/zinc/86/26/50/567862650.db2.gz VYPMEUABZOCDBE-UHFFFAOYSA-N -1 0 274.242 3.590 50 0 CHAARM O=C([O-])CCCN(c1ccccc1)c1ccccc1 ZINC000032918576 567886227 /nfs/dbraw/zinc/88/62/27/567886227.db2.gz SWUJAUCPZSQJPJ-UHFFFAOYSA-N -1 0 255.317 3.690 50 0 CHAARM CCO[N-]C(=O)[C@H](C)Sc1cc(Cl)ccc1Cl ZINC000048345847 567886793 /nfs/dbraw/zinc/88/67/93/567886793.db2.gz NCGPYHQEJYFQQZ-ZETCQYMHSA-N -1 0 294.203 3.542 50 0 CHAARM [O-]c1ccc(Cl)cc1-c1cnc2ccccc2n1 ZINC000000230027 567887518 /nfs/dbraw/zinc/88/75/18/567887518.db2.gz QWIZEQHQPDGODE-UHFFFAOYSA-N -1 0 256.692 3.656 50 0 CHAARM COc1cc(Cl)ccc1C(=O)CCCCCC(=O)[O-] ZINC000043214167 567892344 /nfs/dbraw/zinc/89/23/44/567892344.db2.gz ORKJHSSYHABYGI-UHFFFAOYSA-N -1 0 284.739 3.566 50 0 CHAARM Cc1occ(-c2cccc(Br)c2)c1C(=O)[O-] ZINC000725245821 567908244 /nfs/dbraw/zinc/90/82/44/567908244.db2.gz IIGJZSOXKFTIEC-UHFFFAOYSA-N -1 0 281.105 3.716 50 0 CHAARM Cc1cccc(-n2[n-]c(-c3ccccc3)cc2=O)c1 ZINC000100070221 567911261 /nfs/dbraw/zinc/91/12/61/567911261.db2.gz STMRLLCGFXPXLF-UHFFFAOYSA-N -1 0 250.301 3.553 50 0 CHAARM Cc1sc(NC(=O)c2ccc(C)cc2)c(C(=O)[O-])c1C ZINC000000227483 567925513 /nfs/dbraw/zinc/92/55/13/567925513.db2.gz FZTKIQAPFPFYGX-UHFFFAOYSA-N -1 0 289.356 3.624 50 0 CHAARM CC(C)CC[C@H]1CCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)[O-] ZINC000221031969 567925848 /nfs/dbraw/zinc/92/58/48/567925848.db2.gz QLTYCOLKLOGRSB-CHWSQXEVSA-N -1 0 299.411 3.523 50 0 CHAARM CCc1ccccc1NC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000001753462 567937487 /nfs/dbraw/zinc/93/74/87/567937487.db2.gz UZFADCWJIJZPRF-UHFFFAOYSA-N -1 0 284.315 3.591 50 0 CHAARM CCCc1ccc(NC(=O)CC2(C(=O)[O-])CCCC2)cc1 ZINC000013249119 567941276 /nfs/dbraw/zinc/94/12/76/567941276.db2.gz WFLQPDPCYNOPPK-UHFFFAOYSA-N -1 0 289.375 3.613 50 0 CHAARM O=C([O-])c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000026442184 570232522 /nfs/dbraw/zinc/23/25/22/570232522.db2.gz BKWAAVNVNRWIPN-UHFFFAOYSA-N -1 0 254.694 3.782 50 0 CHAARM S=c1[nH]c(N2CCc3ccccc3C2)nc2ccccc21 ZINC000044842031 570235775 /nfs/dbraw/zinc/23/57/75/570235775.db2.gz UNRQPTSXLISWFZ-UHFFFAOYSA-N -1 0 293.395 3.855 50 0 CHAARM CC(C)(C)C(=O)C=C([O-])c1ccc(Br)s1 ZINC000038001968 570249034 /nfs/dbraw/zinc/24/90/34/570249034.db2.gz AOLDRECYFVWFAP-UHFFFAOYSA-N -1 0 289.194 3.699 50 0 CHAARM O=C([O-])c1ccc(-c2ccc(Br)s2)cc1 ZINC000084198060 570253094 /nfs/dbraw/zinc/25/30/94/570253094.db2.gz KZLZFZNQHIRXDH-UHFFFAOYSA-N -1 0 283.146 3.876 50 0 CHAARM O=C([O-])c1cccc(-c2ccc(N3CCCCCC3)nc2)c1 ZINC000049901078 570350870 /nfs/dbraw/zinc/35/08/70/570350870.db2.gz HKCIQIOTSXYTEF-UHFFFAOYSA-N -1 0 296.370 3.827 50 0 CHAARM O=C(Nc1ccc(F)cc1F)c1cc(Cl)ccc1[O-] ZINC000000139741 570382473 /nfs/dbraw/zinc/38/24/73/570382473.db2.gz XHNSTUXYNVYHBA-UHFFFAOYSA-N -1 0 283.661 3.576 50 0 CHAARM COc1ccc(C)cc1C(C)=NNc1ccc(C(=O)[O-])cc1 ZINC000252498037 1125772992 /nfs/dbraw/zinc/77/29/92/1125772992.db2.gz JZJYAOIZXZZRGT-UHFFFAOYSA-N -1 0 298.342 3.538 50 0 CHAARM CCCC(=O)c1cc(Br)cc(Cl)c1[O-] ZINC000052068486 1119282098 /nfs/dbraw/zinc/28/20/98/1119282098.db2.gz MNOZAJKNBGOFIX-UHFFFAOYSA-N -1 0 277.545 3.791 50 0 CHAARM S=C1[N-][C@H](c2ccccc2)N[C@H](c2ccccc2)S1 ZINC000025667023 1120775871 /nfs/dbraw/zinc/77/58/71/1120775871.db2.gz PPCOHTPXMURTDH-KGLIPLIRSA-N -1 0 286.425 3.595 50 0 in-vitro CHAARM O=C([O-])c1nc2ccccc2c(Nc2ccc(Cl)cc2)n1 ZINC000111786994 1131357334 /nfs/dbraw/zinc/35/73/34/1131357334.db2.gz IKLHKGMYGLBRHH-UHFFFAOYSA-N -1 0 299.717 3.725 50 0 CHAARM O=C([O-])CCC(=O)c1cccc(Oc2ccccc2)c1 ZINC000002571458 169811208 /nfs/dbraw/zinc/81/12/08/169811208.db2.gz POKGFIGOMDBVKX-UHFFFAOYSA-N -1 0 270.284 3.526 50 0 CHAARM O=C([O-])C/C(=C\c1cccc(O)c1)c1nc2ccccc2o1 ZINC000096867704 185119428 /nfs/dbraw/zinc/11/94/28/185119428.db2.gz BZVVTUOIVIAKBW-XYOKQWHBSA-N -1 0 295.294 3.549 50 0 CHAARM CC(C)(C)C1CCC(CC(=O)[O-])(n2cccc2)CC1 ZINC000085863771 179191137 /nfs/dbraw/zinc/19/11/37/179191137.db2.gz VUWDXPVXJGMUFT-UHFFFAOYSA-N -1 0 263.381 3.894 50 0 CHAARM O=C([O-])c1cccc2cccc([S@](=O)c3ccccc3)c21 ZINC000000173139 169563641 /nfs/dbraw/zinc/56/36/41/169563641.db2.gz UTPSEYFLGGYQEQ-NRFANRHFSA-N -1 0 296.347 3.705 50 0 CHAARM CCOc1cccc(-c2cc(C(=O)[O-])c3ccccc3n2)c1 ZINC000000204979 169573843 /nfs/dbraw/zinc/57/38/43/169573843.db2.gz FYNXBOGQOPBGMF-UHFFFAOYSA-N -1 0 293.322 3.999 50 0 CHAARM Cc1ccc(C23C[C@H]4C[C@H](CC(C(=O)[O-])(C4)C2)C3)cc1 ZINC000000235836 169582205 /nfs/dbraw/zinc/58/22/05/169582205.db2.gz UWPMIBVQZDSYNA-MWABVPJASA-N -1 0 270.372 3.918 50 0 CHAARM Cc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1Cl ZINC000000236300 169582759 /nfs/dbraw/zinc/58/27/59/169582759.db2.gz UIABSHHBLMGEQI-UHFFFAOYSA-N -1 0 274.703 3.578 50 0 CHAARM O=C([O-])c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 ZINC000000397455 169630070 /nfs/dbraw/zinc/63/00/70/169630070.db2.gz OWNDZIJGPRNEBM-UHFFFAOYSA-N -1 0 290.706 3.682 50 0 CHAARM Cc1cc(C(=O)[O-])ccc1OCc1cccc(Cl)c1 ZINC000087093491 256862939 /nfs/dbraw/zinc/86/29/39/256862939.db2.gz FUQHGPURANMGKN-UHFFFAOYSA-N -1 0 276.719 3.926 50 0 CHAARM Cc1nc(-c2cccc(C(F)(F)F)c2)sc1C(=O)[O-] ZINC000001397226 169701124 /nfs/dbraw/zinc/70/11/24/169701124.db2.gz LHABGKKKDITNFS-UHFFFAOYSA-N -1 0 287.262 3.836 50 0 CHAARM Cc1oc(-c2ccccc2Cl)nc1CSCC(=O)[O-] ZINC000003913614 169925121 /nfs/dbraw/zinc/92/51/21/169925121.db2.gz QCWBUAORIBKPAY-UHFFFAOYSA-N -1 0 297.763 3.621 50 0 CHAARM C[P@](=O)([O-])[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000004119569 169935241 /nfs/dbraw/zinc/93/52/41/169935241.db2.gz XRQKKNWQJRBVFE-QMMMGPOBSA-N -1 0 272.590 3.844 50 0 CHAARM O=C([O-])[C@H](Nc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000004253466 169949736 /nfs/dbraw/zinc/94/97/36/169949736.db2.gz WGJQEOYZFXXWBI-CYBMUJFWSA-N -1 0 279.698 3.717 50 0 CHAARM CCc1cc2c(cc1[O-])occ(-c1ccc(OC)cc1)c2=O ZINC000005686755 170129050 /nfs/dbraw/zinc/12/90/50/170129050.db2.gz WHSGEXQLXZKQKY-UHFFFAOYSA-N -1 0 296.322 3.737 50 0 biogenic CHAARM Cc1ccc(-n2c(Cc3ccccc3)n[n-]c2=S)cc1 ZINC000005926576 170156327 /nfs/dbraw/zinc/15/63/27/170156327.db2.gz NCAZGXLPEDVTNH-UHFFFAOYSA-N -1 0 281.384 3.829 50 0 CHAARM Cc1ccc(NC(=O)Nc2ccc(C(=O)[O-])cc2)cc1C ZINC000006699499 170228142 /nfs/dbraw/zinc/22/81/42/170228142.db2.gz OFWUMWJYXLGQGF-UHFFFAOYSA-N -1 0 284.315 3.646 50 0 CHAARM Cc1ccc2oc([N-]c3nc(C)c(C)c(C)n3)nc2c1 ZINC000008994616 170360829 /nfs/dbraw/zinc/36/08/29/170360829.db2.gz STPKWNFZSPUDJN-UHFFFAOYSA-N -1 0 268.320 3.595 50 0 CHAARM C[C@](Cc1ccccc1)(C(=O)[O-])c1cccc(Cl)c1 ZINC000011732597 170435816 /nfs/dbraw/zinc/43/58/16/170435816.db2.gz STFPLJHNDCUUGV-MRXNPFEDSA-N -1 0 274.747 3.925 50 0 CHAARM Cc1ccc([C@@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000019675602 170836999 /nfs/dbraw/zinc/83/69/99/170836999.db2.gz OPUMJIWTLRPCCA-CQSZACIVSA-N -1 0 260.720 3.865 50 0 CHAARM C[C@H]1CC=CC[C@@H]1COCc1cccc(C(=O)[O-])c1 ZINC000020519070 171233003 /nfs/dbraw/zinc/23/30/03/171233003.db2.gz XXFBBSJHZMRSHZ-SWLSCSKDSA-N -1 0 260.333 3.504 50 0 CHAARM C[C@H](Oc1ccc(-c2nc3ccccc3s2)cc1)C(=O)[O-] ZINC000021964969 171343597 /nfs/dbraw/zinc/34/35/97/171343597.db2.gz MWPVGPUGWCAROK-JTQLQIEISA-N -1 0 299.351 3.815 50 0 CHAARM CC(C)(C)c1cc(COCC(=O)[O-])cc(C(C)(C)C)c1O ZINC000022205621 171372570 /nfs/dbraw/zinc/37/25/70/171372570.db2.gz UQSBERZYHYJVAP-UHFFFAOYSA-N -1 0 294.391 3.588 50 0 CHAARM CC(C)(C(=O)[O-])c1ccc(-c2ccccc2F)cc1 ZINC000033427256 171793936 /nfs/dbraw/zinc/79/39/36/171793936.db2.gz OMNIFDLOYJSTJZ-UHFFFAOYSA-N -1 0 258.292 3.855 50 0 CHAARM O=C([O-])C[C@H](c1ccccc1)c1ccccc1Cl ZINC000034928853 171895193 /nfs/dbraw/zinc/89/51/93/171895193.db2.gz UXRBWQKJQGCCJE-CYBMUJFWSA-N -1 0 260.720 3.947 50 0 CHAARM O=C([O-])[C@@H]1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000034939268 171899246 /nfs/dbraw/zinc/89/92/46/171899246.db2.gz JJVOPJNIGSYPNV-NXEZZACHSA-N -1 0 278.739 3.575 50 0 CHAARM O=C([O-])[C@H](Sc1ccc(F)c(F)c1)c1ccccc1 ZINC000037374913 173164262 /nfs/dbraw/zinc/16/42/62/173164262.db2.gz QZXBDUATFRTRPZ-CYBMUJFWSA-N -1 0 280.295 3.883 50 0 CHAARM CC(C)(C)c1ncc(/C=C/c2ncc(C(=O)[O-])s2)s1 ZINC000078162498 177325218 /nfs/dbraw/zinc/32/52/18/177325218.db2.gz WHKOUXNPVLLZQB-SNAWJCMRSA-N -1 0 294.401 3.766 50 0 CHAARM CC(C)c1ccc(C(=O)Nc2sccc2C(=O)[O-])cc1 ZINC000021020925 260120145 /nfs/dbraw/zinc/12/01/45/260120145.db2.gz VHAWCJGITMCVSG-UHFFFAOYSA-N -1 0 289.356 3.822 50 0 CHAARM Cc1ccc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)c(C)c1 ZINC000012769767 566882636 /nfs/dbraw/zinc/88/26/36/566882636.db2.gz JAXPZRDZIXBGKN-OAHLLOKOSA-N -1 0 297.354 3.500 50 0 CHAARM O=C([O-])Cc1ncc(C(F)(F)F)cc1-c1ccc(F)cc1 ZINC000047206728 566888909 /nfs/dbraw/zinc/88/89/09/566888909.db2.gz RXBRSZUIBAQUQQ-UHFFFAOYSA-N -1 0 299.223 3.534 50 0 CHAARM O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1[O-] ZINC000001676588 566943091 /nfs/dbraw/zinc/94/30/91/566943091.db2.gz PVWWOFBIYKSBEX-UHFFFAOYSA-N -1 0 282.126 3.951 50 0 CHAARM O=C([O-])C[C@H]1c2ccccc2CSc2ccccc21 ZINC000003619840 567017274 /nfs/dbraw/zinc/01/72/74/567017274.db2.gz MYBCZRPHNGTXMY-AWEZNQCLSA-N -1 0 270.353 3.899 50 0 CHAARM Cc1cc(OCc2ccc(C(=O)[O-])o2)ccc1Cl ZINC000000133376 567819725 /nfs/dbraw/zinc/81/97/25/567819725.db2.gz QTABSYVYXVDOQN-UHFFFAOYSA-N -1 0 266.680 3.519 50 0 CHAARM O=C([O-])c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000000167580 567821096 /nfs/dbraw/zinc/82/10/96/567821096.db2.gz OMMDRDBAUFWKPT-UHFFFAOYSA-N -1 0 273.235 3.527 50 0 CHAARM Cc1nc2cc(C(=O)[O-])ccc2n1C1CCCCC1 ZINC000000186514 567821630 /nfs/dbraw/zinc/82/16/30/567821630.db2.gz KQAHFDDIZFKJCE-UHFFFAOYSA-N -1 0 258.321 3.548 50 0 CHAARM CC(C)COC(C(=O)[O-])(c1ccccc1)c1ccccc1 ZINC000000206820 567821945 /nfs/dbraw/zinc/82/19/45/567821945.db2.gz YMJWNXIHEGIXBK-UHFFFAOYSA-N -1 0 284.355 3.687 50 0 CHAARM O=C([O-])CCc1cn(Cc2ccccc2)c2ccccc12 ZINC000000259615 567823110 /nfs/dbraw/zinc/82/31/10/567823110.db2.gz QTUJYJWSZIVMMF-UHFFFAOYSA-N -1 0 279.339 3.707 50 0 CHAARM C[C@H](c1ccccc1)[C@H](C)OC(=O)c1ccccc1C(=O)[O-] ZINC000000390821 567828528 /nfs/dbraw/zinc/82/85/28/567828528.db2.gz MECVHYVOTUSIFV-STQMWFEESA-N -1 0 298.338 3.734 50 0 CHAARM Cc1ccc(-n2nc(-c3ccccc3)[nH]c2=S)cc1 ZINC000001464745 567837519 /nfs/dbraw/zinc/83/75/19/567837519.db2.gz PGUDBKNJNZPIJH-UHFFFAOYSA-N -1 0 267.357 3.905 50 0 CHAARM O=C([O-])CCCCCC(=O)c1cccc(Br)c1 ZINC000002567378 567848336 /nfs/dbraw/zinc/84/83/36/567848336.db2.gz IFRDHEMFAOLDFR-UHFFFAOYSA-N -1 0 299.164 3.667 50 0 CHAARM Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1C(=O)[O-] ZINC000002643978 567848847 /nfs/dbraw/zinc/84/88/47/567848847.db2.gz BXIGVEDBIXQJOK-UHFFFAOYSA-N -1 0 299.157 3.553 50 0 CHAARM Cc1ccc(-n2cc(C(=O)[O-])c(-c3ccccc3)n2)cc1 ZINC000003394904 567852840 /nfs/dbraw/zinc/85/28/40/567852840.db2.gz LNXXVLMXQUWUNK-UHFFFAOYSA-N -1 0 278.311 3.546 50 0 CHAARM Cc1ccc([N-]S(=O)(=O)c2ccccc2F)cc1Cl ZINC000003581301 567853017 /nfs/dbraw/zinc/85/30/17/567853017.db2.gz ZLRZBKKHAFRXCY-UHFFFAOYSA-N -1 0 299.754 3.588 50 0 CHAARM CC(C)c1ccc(-c2nc(CC(=O)[O-])cs2)cc1 ZINC000003888189 567854389 /nfs/dbraw/zinc/85/43/89/567854389.db2.gz LEJRZYYIWWJVAT-UHFFFAOYSA-N -1 0 261.346 3.561 50 0 CHAARM Cc1ccc(N[C@@H](C(=O)[O-])c2ccccc2)cc1C ZINC000004244770 567856091 /nfs/dbraw/zinc/85/60/91/567856091.db2.gz GNWPCRABGHIXGH-OAHLLOKOSA-N -1 0 255.317 3.541 50 0 CHAARM O=S(=O)([O-])c1ccc2c3c(cccc31)-c1ccccc1-2 ZINC000004566460 567857997 /nfs/dbraw/zinc/85/79/97/567857997.db2.gz VBFORDFEGCAGEG-UHFFFAOYSA-N -1 0 282.320 3.734 50 0 CHAARM Cc1ccccc1-c1cc(C(=O)[O-])c2cnn(C(C)C)c2n1 ZINC000012505158 567863647 /nfs/dbraw/zinc/86/36/47/567863647.db2.gz GUNHHKDGOOZCOL-UHFFFAOYSA-N -1 0 295.342 3.686 50 0 CHAARM Cc1ccccc1-n1nc(-c2cccs2)cc1C(=O)[O-] ZINC000015441905 567870601 /nfs/dbraw/zinc/87/06/01/567870601.db2.gz QQNIWGQOALEFAX-UHFFFAOYSA-N -1 0 284.340 3.607 50 0 CHAARM O=c1cc(C(F)(F)F)[n-]c2c(OC(F)(F)F)cccc12 ZINC000015923738 567871795 /nfs/dbraw/zinc/87/17/95/567871795.db2.gz NPILHDIBEBFVPW-UHFFFAOYSA-N -1 0 297.154 3.858 50 0 CHAARM Cc1ccc(F)c(NS(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000016148113 567872174 /nfs/dbraw/zinc/87/21/74/567872174.db2.gz MXXPFMHTBCRQEP-UHFFFAOYSA-N -1 0 293.363 3.552 50 0 CHAARM Cc1ccc(CNc2ccc(C(=O)[O-])cc2C)cc1 ZINC000016579082 567873355 /nfs/dbraw/zinc/87/33/55/567873355.db2.gz DLFCTKMNRKUZOO-UHFFFAOYSA-N -1 0 255.317 3.614 50 0 CHAARM Cc1c2ccccc2nc(-c2ccccc2)c1CC(=O)[O-] ZINC000019413850 567877851 /nfs/dbraw/zinc/87/78/51/567877851.db2.gz WQIZOXJRLQMLQL-UHFFFAOYSA-N -1 0 277.323 3.837 50 0 CHAARM O=C([O-])c1ccc(Cl)c(NC(=O)Nc2ccccc2)c1 ZINC000019414485 567877962 /nfs/dbraw/zinc/87/79/62/567877962.db2.gz NTNWDUSRCCWYJJ-UHFFFAOYSA-N -1 0 290.706 3.682 50 0 CHAARM O=C([O-])[C@@H](Sc1ccc(F)cc1)c1ccccc1 ZINC000019412412 567878227 /nfs/dbraw/zinc/87/82/27/567878227.db2.gz XJOZUMXBUUGLBO-ZDUSSCGKSA-N -1 0 262.305 3.744 50 0 CHAARM COc1ccc(-c2[nH]c3ccccc3c2C(=O)[O-])cc1OC ZINC000019724903 567878311 /nfs/dbraw/zinc/87/83/11/567878311.db2.gz JATXOJDWXYZSJM-UHFFFAOYSA-N -1 0 297.310 3.550 50 0 CHAARM COc1ccc(/C=C(/C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000011589321 567881277 /nfs/dbraw/zinc/88/12/77/567881277.db2.gz BMBTWCRRKXKFMM-XNTDXEJSSA-N -1 0 288.730 3.974 50 0 CHAARM O=C([O-])c1cc2occc2n1Cc1ccccc1Cl ZINC000032501237 567886078 /nfs/dbraw/zinc/88/60/78/567886078.db2.gz GGTBLLLPNZBYLQ-UHFFFAOYSA-N -1 0 275.691 3.634 50 0 CHAARM O=C([O-])c1ccc(-c2cnc(Oc3ccccc3)nc2)cc1 ZINC000032918459 567886409 /nfs/dbraw/zinc/88/64/09/567886409.db2.gz PVEKMDBFUUBMQB-UHFFFAOYSA-N -1 0 292.294 3.634 50 0 CHAARM O=C([O-])c1sc2ccsc2c1C(F)(F)F ZINC000036379748 567889349 /nfs/dbraw/zinc/88/93/49/567889349.db2.gz LHUIOKSVKKVJAG-UHFFFAOYSA-N -1 0 252.238 3.680 50 0 CHAARM O=C([O-])c1c2ccccc2nn1[C@@H]1CCCc2ccccc21 ZINC000036714044 567889909 /nfs/dbraw/zinc/88/99/09/567889909.db2.gz PHBVFAFYPLRGRS-MRXNPFEDSA-N -1 0 292.338 3.660 50 0 CHAARM COc1ccc(Cl)c(-c2ccc(C(=O)[O-])cc2F)c1 ZINC000065354108 567898675 /nfs/dbraw/zinc/89/86/75/567898675.db2.gz UAJJDRBRMQMSRE-UHFFFAOYSA-N -1 0 280.682 3.853 50 0 CHAARM COc1ccc(Cl)c(-c2ccc(CC(=O)[O-])cc2)c1 ZINC000074938284 567903551 /nfs/dbraw/zinc/90/35/51/567903551.db2.gz HOGDZTPEZJGOOR-UHFFFAOYSA-N -1 0 276.719 3.643 50 0 CHAARM CC(C)=CCCc1cc(C(=O)[O-])c2ccccc2n1 ZINC000000051135 567905836 /nfs/dbraw/zinc/90/58/36/567905836.db2.gz VNMZEMJWKLSJAX-UHFFFAOYSA-N -1 0 255.317 3.832 50 0 CHAARM O=C([O-])/C=C\c1nc(-c2ccc(Cl)cc2)n2ccccc12 ZINC000033285417 567906767 /nfs/dbraw/zinc/90/67/67/567906767.db2.gz LTTFKBSFXHIBIH-HJWRWDBZSA-N -1 0 298.729 3.753 50 0 CHAARM O=C([O-])CC12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000095218209 567909034 /nfs/dbraw/zinc/90/90/34/567909034.db2.gz SLUXYLRGKSQUCW-LRSDLPTKSA-N -1 0 262.271 3.610 50 0 CHAARM S=c1[nH]c(Cl)cc2cc(Br)ccc12 ZINC000095099984 567909083 /nfs/dbraw/zinc/90/90/83/567909083.db2.gz STGULXQNZHUWMS-UHFFFAOYSA-N -1 0 274.570 3.939 50 0 CHAARM Cc1ccc(-n2[n-]c(-c3ccccc3)cc2=O)cc1 ZINC000100070170 567911384 /nfs/dbraw/zinc/91/13/84/567911384.db2.gz CUKIYXBQMKSPDY-UHFFFAOYSA-N -1 0 250.301 3.553 50 0 CHAARM Cc1nc(C23CC4CC(CC(C4)C2)C3)sc1C(=O)[O-] ZINC000098042883 567911448 /nfs/dbraw/zinc/91/14/48/567911448.db2.gz GQVDXTCTMCYLQZ-UHFFFAOYSA-N -1 0 277.389 3.618 50 0 CHAARM C[C@@H]1CCCC[C@@H]1n1c(=O)c2ccccc2[n-]c1=S ZINC000000425227 567930400 /nfs/dbraw/zinc/93/04/00/567930400.db2.gz LWNRFDYFXURUJL-MFKMUULPSA-N -1 0 274.389 3.810 50 0 CHAARM CC(=O)c1c(C)oc2c1cc([O-])c(Cl)c2Cl ZINC000000501706 567940874 /nfs/dbraw/zinc/94/08/74/567940874.db2.gz UTDCJIBLWUZSIT-UHFFFAOYSA-N -1 0 259.088 3.956 50 0 CHAARM Cc1sc(NC(=O)c2ccccc2C)c(C(=O)[O-])c1C ZINC000000552131 567942973 /nfs/dbraw/zinc/94/29/73/567942973.db2.gz WURPXKSJIAIRMT-UHFFFAOYSA-N -1 0 289.356 3.624 50 0 CHAARM CCOc1ccc(NC(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000019996637 567945270 /nfs/dbraw/zinc/94/52/70/567945270.db2.gz QEESZQCWJJRHJR-UHFFFAOYSA-N -1 0 291.734 3.697 50 0 CHAARM C[C@@H](c1ccccc1)[C@@H](CC(=O)[O-])C(=O)Nc1ccccc1 ZINC000012383789 567953887 /nfs/dbraw/zinc/95/38/87/567953887.db2.gz ZUSGNHXVBOLLKW-XJKSGUPXSA-N -1 0 297.354 3.520 50 0 CHAARM Cc1c(C(=O)[O-])sc2nc(Cc3ccccc3)nc(C)c12 ZINC000012391293 570315743 /nfs/dbraw/zinc/31/57/43/570315743.db2.gz KRPYPIZRMTXLGI-UHFFFAOYSA-N -1 0 298.367 3.597 50 0 CHAARM Cc1ccc([C@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000019675604 570324715 /nfs/dbraw/zinc/32/47/15/570324715.db2.gz OPUMJIWTLRPCCA-AWEZNQCLSA-N -1 0 260.720 3.865 50 0 CHAARM CC(C)c1onc(-c2ccc(Cl)s2)c1C(=O)[O-] ZINC000675058148 570365031 /nfs/dbraw/zinc/36/50/31/570365031.db2.gz XAZOZKOYSKZFPR-UHFFFAOYSA-N -1 0 271.725 3.878 50 0 CHAARM Cc1cc(C)c2c(c1)nc(-c1cccnc1)cc2C(=O)[O-] ZINC000003756929 570400202 /nfs/dbraw/zinc/40/02/02/570400202.db2.gz UVSBSSUGXMGZGV-UHFFFAOYSA-N -1 0 278.311 3.612 50 0 CHAARM Cc1ccc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000254352342 1127079220 /nfs/dbraw/zinc/07/92/20/1127079220.db2.gz SFMGBLCPFFPQKI-UHFFFAOYSA-N -1 0 288.734 3.793 50 0 CHAARM COc1cccc(Cl)c1-c1ccsc1C(=O)[O-] ZINC000314891443 1128126205 /nfs/dbraw/zinc/12/62/05/1128126205.db2.gz JDPOGLOPYJLAMT-UHFFFAOYSA-N -1 0 268.721 3.775 50 0 CHAARM O=C([O-])C/C(=C/c1ccccc1)c1nc2ccccc2o1 ZINC000022096244 1118878437 /nfs/dbraw/zinc/87/84/37/1118878437.db2.gz AQTDGZATXHXILX-RAXLEYEMSA-N -1 0 279.295 3.843 50 0 CHAARM Cc1ccccc1CC[C@@H](C(=O)[O-])c1ccccc1 ZINC000134177191 1119482005 /nfs/dbraw/zinc/48/20/05/1119482005.db2.gz IZFSNBYITMFEKH-MRXNPFEDSA-N -1 0 254.329 3.796 50 0 CHAARM O=C([O-])c1cc(-c2cccc(F)c2)nc2ccccc21 ZINC000019803135 1123199994 /nfs/dbraw/zinc/19/99/94/1123199994.db2.gz PCKQJQMHOYYDMQ-UHFFFAOYSA-N -1 0 267.259 3.739 50 0 CHAARM Cc1ccc(Sc2c([O-])c3ccccc3n(C)c2=O)cc1 ZINC000101472531 230392497 /nfs/dbraw/zinc/39/24/97/230392497.db2.gz HGINECSUHNZQGL-UHFFFAOYSA-N -1 0 297.379 3.704 50 0 CHAARM O=C([O-])c1ncc(C(F)(F)F)cc1Oc1ccccc1 ZINC000390822256 230402414 /nfs/dbraw/zinc/40/24/14/230402414.db2.gz JUTIMAFHFTWUJG-UHFFFAOYSA-N -1 0 283.205 3.591 50 0 CHAARM O=C([O-])c1ccc(/C=C\C(=O)c2ccc(F)c(F)c2)cc1 ZINC000096759313 185111384 /nfs/dbraw/zinc/11/13/84/185111384.db2.gz PLZWJHILFXJAIA-BAQGIRSFSA-N -1 0 288.249 3.559 50 0 CHAARM O=C([O-])c1[nH]ccc1-c1c(Cl)cccc1Cl ZINC000086206547 179249073 /nfs/dbraw/zinc/24/90/73/179249073.db2.gz ZPVCPPDMBVXYOX-UHFFFAOYSA-N -1 0 256.088 3.687 50 0 CHAARM Cc1ccc(CCC(=O)C2=C([O-])c3cc(C)ccc3C2)cc1 ZINC000257173697 190006027 /nfs/dbraw/zinc/00/60/27/190006027.db2.gz VGHPUJPQLJPBEL-SFHVURJKSA-N -1 0 292.378 3.860 50 0 CHAARM O=C([O-])/C=C/c1ccc(Cl)c(Cl)c1OC(F)F ZINC000263623113 190070520 /nfs/dbraw/zinc/07/05/20/190070520.db2.gz DTRPNPKQKNAVJC-DUXPYHPUSA-N -1 0 283.057 3.693 50 0 CHAARM CCCCCC1CCC(C(=O)N[C@H](C(=O)[O-])C(C)C)CC1 ZINC000002601592 169815142 /nfs/dbraw/zinc/81/51/42/169815142.db2.gz GYKXAGDNRYWNDU-NRXISQOPSA-N -1 0 297.439 3.599 50 0 CHAARM O=C([O-])c1ccc(COc2cccc3ccccc32)o1 ZINC000000133387 169548782 /nfs/dbraw/zinc/54/87/82/169548782.db2.gz DVUUCZPXJSZJNK-UHFFFAOYSA-N -1 0 268.268 3.710 50 0 CHAARM O=C([O-])[C@H](Oc1ccccc1-n1cccc1)c1ccccc1 ZINC000004054042 184530343 /nfs/dbraw/zinc/53/03/43/184530343.db2.gz GJFBVGMHULTJQG-QGZVFWFLSA-N -1 0 293.322 3.682 50 0 CHAARM Cc1ccc(C)n1[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000003880960 169919609 /nfs/dbraw/zinc/91/96/09/169919609.db2.gz GIGKIGWKZMEQHX-AWEZNQCLSA-N -1 0 277.751 3.822 50 0 CHAARM CCCc1c(C)nc2ccc(C)cc2c1SCC(=O)[O-] ZINC000004805878 170019747 /nfs/dbraw/zinc/01/97/47/170019747.db2.gz MAKOEZPPKDWDTC-UHFFFAOYSA-N -1 0 289.400 3.981 50 0 CHAARM O=C([O-])c1cc2sccc2n1Cc1ccccc1F ZINC000005000275 170052709 /nfs/dbraw/zinc/05/27/09/170052709.db2.gz DSKJLJDQKVXPSH-UHFFFAOYSA-N -1 0 275.304 3.588 50 0 CHAARM CC[C@@H]1CCC2=Nc3ccccc3[C@@H](C(=O)[O-])[C@@H]2C1 ZINC000005663866 170125567 /nfs/dbraw/zinc/12/55/67/170125567.db2.gz RUOLINNBZYUUEU-IXPVHAAZSA-N -1 0 257.333 3.767 50 0 CHAARM Cc1cccc(Oc2coc3cc([O-])ccc3c2=O)c1 ZINC000005730718 170134663 /nfs/dbraw/zinc/13/46/63/170134663.db2.gz WLBAIDJMWRKCNT-UHFFFAOYSA-N -1 0 268.268 3.599 50 0 biogenic CHAARM CCc1ccc(Oc2coc3cc([O-])cc(O)c3c2=O)cc1 ZINC000005908917 170153853 /nfs/dbraw/zinc/15/38/53/170153853.db2.gz DWFQQKXEKFTDSV-UHFFFAOYSA-N -1 0 298.294 3.559 50 0 biogenic CHAARM Cn1c2ccccc2nc1[C@@H]1CC[C@@](C)(C(=O)[O-])C1(C)C ZINC000006388276 170197023 /nfs/dbraw/zinc/19/70/23/170197023.db2.gz ZDWSEERXYLZOGE-GTNSWQLSSA-N -1 0 286.375 3.568 50 0 CHAARM CCOc1cc(/C=C\C(=O)[O-])ccc1OCc1ccccc1 ZINC000006489346 170206140 /nfs/dbraw/zinc/20/61/40/170206140.db2.gz ZRGFXHPPBGPRIU-LUAWRHEFSA-N -1 0 298.338 3.762 50 0 CHAARM Cc1ccc(NC(=O)Nc2ccc(CC(=O)[O-])cc2)cc1C ZINC000006699799 170228497 /nfs/dbraw/zinc/22/84/97/170228497.db2.gz JWBLDAJDPUCMSO-UHFFFAOYSA-N -1 0 298.342 3.575 50 0 CHAARM C[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)c1cccs1 ZINC000008183668 170323060 /nfs/dbraw/zinc/32/30/60/170323060.db2.gz RZNIUJUUYFZCHZ-MRVPVSSYSA-N -1 0 281.764 3.598 50 0 CHAARM O=C([O-])/C(=C/c1ccc(Cl)cc1)c1ccccc1 ZINC000008655881 170344445 /nfs/dbraw/zinc/34/44/45/170344445.db2.gz VRWKAXRIXMCDDY-GXDHUFHOSA-N -1 0 258.704 3.965 50 0 CHAARM O=C([O-])c1cccc(CSCc2ccccc2)c1 ZINC000008729643 170350411 /nfs/dbraw/zinc/35/04/11/170350411.db2.gz YDYVIMMVEKBNRY-UHFFFAOYSA-N -1 0 258.342 3.818 50 0 CHAARM CCC(CC)(CC(=O)Nc1ccc(SC)cc1)C(=O)[O-] ZINC000010169052 170399784 /nfs/dbraw/zinc/39/97/84/170399784.db2.gz ABGPGSVVCYLBRG-UHFFFAOYSA-N -1 0 295.404 3.628 50 0 CHAARM Cc1ccccc1S[C@H](C(=O)[O-])c1ccccc1 ZINC000011804264 170443122 /nfs/dbraw/zinc/44/31/22/170443122.db2.gz KLDVNMLBHGWENH-AWEZNQCLSA-N -1 0 258.342 3.913 50 0 CHAARM O=C([O-])c1ccc(Oc2ncccc2C(F)(F)F)cc1 ZINC000020357721 171157418 /nfs/dbraw/zinc/15/74/18/171157418.db2.gz QIGRVKHCROHFFD-UHFFFAOYSA-N -1 0 283.205 3.591 50 0 CHAARM COc1ccccc1Sc1ccc(/C=C/C(=O)[O-])cc1 ZINC000035287411 172105019 /nfs/dbraw/zinc/10/50/19/172105019.db2.gz SJVKNMNBVZCEHU-DHZHZOJOSA-N -1 0 286.352 3.944 50 0 CHAARM Cc1ccc(-c2nc3cc(C(=O)[O-])ccc3[nH]2)c(C)c1 ZINC000037400837 173178076 /nfs/dbraw/zinc/17/80/76/173178076.db2.gz AKRYQRBODZLVKE-UHFFFAOYSA-N -1 0 266.300 3.545 50 0 CHAARM O=C([O-])c1c(Cl)ccc(C(F)(F)F)c1Cl ZINC000038235787 174137687 /nfs/dbraw/zinc/13/76/87/174137687.db2.gz WRNSEKNHEIXBES-UHFFFAOYSA-N -1 0 259.010 3.710 50 0 CHAARM O=C([O-])c1ccc(-c2ccc(Cl)cc2)c(F)c1 ZINC000043578244 175069569 /nfs/dbraw/zinc/06/95/69/175069569.db2.gz IVJCRNXCSBLDNU-UHFFFAOYSA-N -1 0 250.656 3.844 50 0 CHAARM Cc1sc(/C=C/c2scnc2C2CC2)nc1C(=O)[O-] ZINC000558451893 327095569 /nfs/dbraw/zinc/09/55/69/327095569.db2.gz PHWVOTQKTQFPLA-SNAWJCMRSA-N -1 0 292.385 3.654 50 0 CHAARM O=C([O-])c1cnc(OCc2cccc(Cl)c2)c(Cl)c1 ZINC000087093481 330372032 /nfs/dbraw/zinc/37/20/32/330372032.db2.gz UXTQHTQIQSFSAF-UHFFFAOYSA-N -1 0 298.125 3.666 50 0 CHAARM O=C([O-])[C@H](Sc1nncc2ccccc21)c1ccccc1 ZINC000004070281 534531798 /nfs/dbraw/zinc/53/17/98/534531798.db2.gz NBDVCFGPFZHFGK-CQSZACIVSA-N -1 0 296.351 3.548 50 0 CHAARM O=C(NCc1ccccc1)c1cc(Cl)c([O-])c(Cl)c1 ZINC000408526007 534677655 /nfs/dbraw/zinc/67/76/55/534677655.db2.gz RTPYFZMZFPTDPZ-UHFFFAOYSA-N -1 0 296.153 3.629 50 0 CHAARM Cc1cccc(C)c1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000096479729 534678081 /nfs/dbraw/zinc/67/80/81/534678081.db2.gz VFGKEECHVYIJRL-UHFFFAOYSA-N -1 0 297.354 3.573 50 0 CHAARM CC(C)(C)c1ncc(/C=C\c2ncc(C(=O)[O-])s2)s1 ZINC000346812087 526877145 /nfs/dbraw/zinc/87/71/45/526877145.db2.gz WHKOUXNPVLLZQB-PLNGDYQASA-N -1 0 294.401 3.766 50 0 CHAARM O=C([O-])C[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000011629079 570219680 /nfs/dbraw/zinc/21/96/80/570219680.db2.gz YGWFEBLGVWKAGO-CQSZACIVSA-N -1 0 260.720 3.947 50 0 CHAARM O=C([O-])c1nc(C(F)(F)F)ccc1-c1ccccc1F ZINC000047206350 566888405 /nfs/dbraw/zinc/88/84/05/566888405.db2.gz KFQOJMZJJHRNIK-UHFFFAOYSA-N -1 0 285.196 3.605 50 0 CHAARM O=C([O-])c1ncc(-c2cccc(F)c2)cc1C(F)(F)F ZINC000047205276 566890416 /nfs/dbraw/zinc/89/04/16/566890416.db2.gz MCGPNSJXSQSVIK-UHFFFAOYSA-N -1 0 285.196 3.605 50 0 CHAARM O=C([O-])CC1c2ccccc2C=Cc2ccccc21 ZINC000004542542 566909025 /nfs/dbraw/zinc/90/90/25/566909025.db2.gz JGDQIBDRPQXSJO-UHFFFAOYSA-N -1 0 250.297 3.777 50 0 CHAARM O=C([O-])CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000011629069 567059823 /nfs/dbraw/zinc/05/98/23/567059823.db2.gz KIAWGXRQLBWNEE-UHFFFAOYSA-N -1 0 262.255 3.571 50 0 CHAARM O=C([O-])c1ccc(F)c(NC(=O)c2coc3ccccc23)c1 ZINC000096406065 567143267 /nfs/dbraw/zinc/14/32/67/567143267.db2.gz ILEZRKKSHPRIGV-UHFFFAOYSA-N -1 0 299.257 3.522 50 0 CHAARM Cc1ccc(C(=O)[C@@H]2C[C@H](C(=O)[O-])C(C)(C)[C@@H]2C)c(C)c1 ZINC000059402447 567213158 /nfs/dbraw/zinc/21/31/58/567213158.db2.gz YUQKJNKZHLWJHK-BPLDGKMQSA-N -1 0 288.387 3.869 50 0 CHAARM CN1c2ccccc2Sc2ccc(CC(=O)[O-])cc21 ZINC000000001717 567816566 /nfs/dbraw/zinc/81/65/66/567816566.db2.gz LMINNBXUMGNKMM-UHFFFAOYSA-N -1 0 271.341 3.546 50 0 in-man CHAARM S=c1[n-]nc(Cc2ccccc2)n1-c1ccccc1 ZINC000000003576 567816572 /nfs/dbraw/zinc/81/65/72/567816572.db2.gz NORNNMHDCZHPNP-UHFFFAOYSA-N -1 0 267.357 3.521 50 0 CHAARM COc1ccc(-c2nc3ccccc3c(C(=O)[O-])c2C)cc1 ZINC000000115540 567818882 /nfs/dbraw/zinc/81/88/82/567818882.db2.gz IYWWVUCWJCSYFI-UHFFFAOYSA-N -1 0 293.322 3.917 50 0 CHAARM O=C(C=C([O-])c1ccccc1)c1cc(Cl)ccc1O ZINC000000130030 567819357 /nfs/dbraw/zinc/81/93/57/567819357.db2.gz VOVLKGWYQQCQHB-UHFFFAOYSA-N -1 0 274.703 3.501 50 0 CHAARM CC1(C)[C@H]2CC[C@]1(C)c1c2c(C(=O)[O-])nn1-c1ccccc1 ZINC000000204610 567822193 /nfs/dbraw/zinc/82/21/93/567822193.db2.gz TWKWHPUPCOCRHI-KPZWWZAWSA-N -1 0 296.370 3.745 50 0 CHAARM C[C@H](c1ccccc1)[C@@H](CC(=O)Nc1ccccc1)C(=O)[O-] ZINC000000297070 567824240 /nfs/dbraw/zinc/82/42/40/567824240.db2.gz BDMDXLRFUPFFHD-CZUORRHYSA-N -1 0 297.354 3.520 50 0 CHAARM CSc1ccc(-c2ccc(C(=O)[O-])c(Cl)n2)cc1 ZINC000000350000 567826129 /nfs/dbraw/zinc/82/61/29/567826129.db2.gz HUYKJQXNUUTHDN-UHFFFAOYSA-N -1 0 279.748 3.822 50 0 CHAARM CC(C)(C)c1cc(C(=O)[O-])c(O)c(C(C)(C)C)c1 ZINC000000388295 567828278 /nfs/dbraw/zinc/82/82/78/567828278.db2.gz ZWQBZEFLFSFEOS-UHFFFAOYSA-N -1 0 250.338 3.685 50 0 CHAARM O=C([O-])c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1 ZINC000000395863 567828912 /nfs/dbraw/zinc/82/89/12/567828912.db2.gz QZVLALCHSFACLK-UHFFFAOYSA-N -1 0 290.706 3.682 50 0 in-vitro CHAARM CC1(C)C[C@H]([C@@H](CC(=O)[O-])Cc2ccccc2)CCO1 ZINC000000519656 567833443 /nfs/dbraw/zinc/83/34/43/567833443.db2.gz YKPUDDGWRMLKKI-HUUCEWRRSA-N -1 0 276.376 3.525 50 0 biogenic,in-vitro CHAARM Cc1cccc(Cl)c1OCc1ccc(C(=O)[O-])o1 ZINC000002521394 567847371 /nfs/dbraw/zinc/84/73/71/567847371.db2.gz IJRZZPXUKJUXDF-UHFFFAOYSA-N -1 0 266.680 3.519 50 0 CHAARM Cc1ccc(-c2cc(C(=O)[O-])c3cccc(C)c3n2)o1 ZINC000002521240 567847521 /nfs/dbraw/zinc/84/75/21/567847521.db2.gz YMOJSLOOCZILHJ-UHFFFAOYSA-N -1 0 267.284 3.810 50 0 CHAARM O=C([O-])CSC(c1ccccc1)c1ccccc1 ZINC000002616117 567848772 /nfs/dbraw/zinc/84/87/72/567848772.db2.gz HTHFEDOFDBZPRX-UHFFFAOYSA-N -1 0 258.342 3.594 50 0 CHAARM O=C([O-])c1ccc(OCc2cccc(Cl)c2)cc1 ZINC000002599142 567848837 /nfs/dbraw/zinc/84/88/37/567848837.db2.gz QMXPJNHJNFUZAT-UHFFFAOYSA-N -1 0 262.692 3.617 50 0 CHAARM O=C([O-])c1ccc2[nH]c(-c3ccc(Cl)cc3)nc2c1 ZINC000003129252 567851703 /nfs/dbraw/zinc/85/17/03/567851703.db2.gz KFEDCUOAVSSAAS-UHFFFAOYSA-N -1 0 272.691 3.582 50 0 CHAARM O=C([O-])/C(=C\c1ccccc1)c1ccc(Cl)cc1 ZINC000003887047 567854220 /nfs/dbraw/zinc/85/42/20/567854220.db2.gz VPXGAYMGNMHRTI-UVTDQMKNSA-N -1 0 258.704 3.965 50 0 CHAARM Cc1ccc(C)n1[C@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000003880961 567854388 /nfs/dbraw/zinc/85/43/88/567854388.db2.gz GIGKIGWKZMEQHX-CQSZACIVSA-N -1 0 277.751 3.822 50 0 CHAARM O=C([O-])c1ccccc1SCc1ccsc1 ZINC000004218501 567855835 /nfs/dbraw/zinc/85/58/35/567855835.db2.gz ZNSHPJTYGIZOKH-UHFFFAOYSA-N -1 0 250.344 3.739 50 0 CHAARM O=c1[nH][n-]c2c1C1(CCCCC1)Cc1ccccc1-2 ZINC000004440641 567857822 /nfs/dbraw/zinc/85/78/22/567857822.db2.gz GBYOITLAVUHEJG-UHFFFAOYSA-N -1 0 254.333 3.540 50 0 CHAARM CC(C)c1cc(C(=O)[O-])c2c(n1)onc2-c1ccccc1 ZINC000012398015 567863167 /nfs/dbraw/zinc/86/31/67/567863167.db2.gz IOPVMDIEYAXRKG-UHFFFAOYSA-N -1 0 282.299 3.711 50 0 CHAARM O=c1cc(C(F)(F)F)[n-]c2ccc(OC(F)(F)F)cc12 ZINC000015923739 567871669 /nfs/dbraw/zinc/87/16/69/567871669.db2.gz FOSLEIYRFCRULX-UHFFFAOYSA-N -1 0 297.154 3.858 50 0 CHAARM Cc1cc2c([n-]c(=S)n(C3CCCCC3)c2=O)s1 ZINC000017008390 567874524 /nfs/dbraw/zinc/87/45/24/567874524.db2.gz GUQSXODQEIOOHC-UHFFFAOYSA-N -1 0 280.418 3.934 50 0 CHAARM O=C([O-])[C@H](Oc1ccc(F)cc1Cl)c1ccccc1 ZINC000019669940 567878337 /nfs/dbraw/zinc/87/83/37/567878337.db2.gz NFLNHAANTYEWTK-CYBMUJFWSA-N -1 0 280.682 3.684 50 0 CHAARM CC(C)c1ccc(Oc2ccc(C(=O)[O-])cn2)cc1 ZINC000020081390 567880914 /nfs/dbraw/zinc/88/09/14/567880914.db2.gz FTQVIBRGTHJGCY-UHFFFAOYSA-N -1 0 257.289 3.696 50 0 CHAARM O=C([O-])c1cc(-c2cccs2)nc2cc(F)ccc21 ZINC000020080969 567880942 /nfs/dbraw/zinc/88/09/42/567880942.db2.gz SZSDSQZBVCIIAV-UHFFFAOYSA-N -1 0 273.288 3.801 50 0 CHAARM O=c1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)[nH]1 ZINC000026779552 567883181 /nfs/dbraw/zinc/88/31/81/567883181.db2.gz QOWKAANWZRYSHF-UHFFFAOYSA-N -1 0 274.629 3.521 50 0 CHAARM Cc1nc(-c2ccc(Br)cc2)sc1C(=O)[O-] ZINC000031892751 567885226 /nfs/dbraw/zinc/88/52/26/567885226.db2.gz PMEDEHFPUQRZJW-UHFFFAOYSA-N -1 0 298.161 3.579 50 0 CHAARM O=C([O-])c1cc(-c2ccncc2)nc2cccc(Cl)c21 ZINC000031775930 567885311 /nfs/dbraw/zinc/88/53/11/567885311.db2.gz RZBYQPUAEAKDNC-UHFFFAOYSA-N -1 0 284.702 3.648 50 0 CHAARM O=C([O-])c1cccc(-c2cc(Oc3ccccc3)ncn2)c1 ZINC000032918450 567886386 /nfs/dbraw/zinc/88/63/86/567886386.db2.gz HPCGNJVNRTUFNC-UHFFFAOYSA-N -1 0 292.294 3.634 50 0 CHAARM Cc1ccc(C(=O)C=C([O-])c2ccccc2Cl)c(O)c1 ZINC000004693021 567888387 /nfs/dbraw/zinc/88/83/87/567888387.db2.gz MTCAJYRFJCYRMW-UHFFFAOYSA-N -1 0 288.730 3.810 50 0 CHAARM CC(C)C[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000041392993 567891114 /nfs/dbraw/zinc/89/11/14/567891114.db2.gz RTNLSQASZHIGDN-LLVKDONJSA-N -1 0 271.154 3.663 50 0 CHAARM O=C([O-])c1sc(-c2ccncc2)nc1-c1ccccc1 ZINC000041581432 567891212 /nfs/dbraw/zinc/89/12/12/567891212.db2.gz XIUFXYLUJWNFRF-UHFFFAOYSA-N -1 0 282.324 3.570 50 0 CHAARM COc1ncc(-c2ccc(C(C)(C)C)cc2)cc1C(=O)[O-] ZINC000065348219 567898490 /nfs/dbraw/zinc/89/84/90/567898490.db2.gz IJEHLNHBDNVNGZ-UHFFFAOYSA-N -1 0 285.343 3.753 50 0 CHAARM O=C([O-])c1ccc(-c2ccc(O)c(F)c2)cc1Cl ZINC000065350159 567898713 /nfs/dbraw/zinc/89/87/13/567898713.db2.gz ILFLVNGGZILIJW-UHFFFAOYSA-N -1 0 266.655 3.550 50 0 CHAARM CC(=O)Nc1cccc(-c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000067772843 567900818 /nfs/dbraw/zinc/90/08/18/567900818.db2.gz KOQOKAYMBTVIQR-UHFFFAOYSA-N -1 0 289.718 3.664 50 0 CHAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCc1ccccc1 ZINC000100072426 567912064 /nfs/dbraw/zinc/91/20/64/567912064.db2.gz BTHUGBDAPDRNHB-UHFFFAOYSA-N -1 0 296.345 3.811 50 0 CHAARM Cc1ccc(-c2nn3c(=S)[n-]nc3c3ccccc32)cc1 ZINC000000126570 567923600 /nfs/dbraw/zinc/92/36/00/567923600.db2.gz ZVSJPVIVXBSTFS-UHFFFAOYSA-N -1 0 292.367 3.542 50 0 CHAARM O=C([O-])[C@@]1(c2ccccc2)CC[C@@H](Nc2ccccc2)C1 ZINC000000198162 567925153 /nfs/dbraw/zinc/92/51/53/567925153.db2.gz HTLWNNFFJOTFAH-AEFFLSMTSA-N -1 0 281.355 3.674 50 0 CHAARM O=c1oc2ccc(Cl)cc2cc1-c1nc2ccccc2[nH]1 ZINC000000195527 567925179 /nfs/dbraw/zinc/92/51/79/567925179.db2.gz SALMZXUHPJBGRH-UHFFFAOYSA-N -1 0 296.713 3.990 50 0 CHAARM CC(C)(C)c1cc(=O)n2[n-]cc(-c3ccc(F)cc3)c2n1 ZINC000100756913 567928561 /nfs/dbraw/zinc/92/85/61/567928561.db2.gz PAEXDVMYHZGCNV-UHFFFAOYSA-N -1 0 285.322 3.539 50 0 CHAARM O=c1c2cc(F)ccc2[n-]c(=S)n1C1CCCCC1 ZINC000000424943 567930392 /nfs/dbraw/zinc/93/03/92/567930392.db2.gz RXOHJGBJFRPJBE-UHFFFAOYSA-N -1 0 278.352 3.703 50 0 CHAARM C[C@]12CC3CC(SCC(=O)[O-])(C1)C[C@@](C)(C3)C2 ZINC000016576563 567938551 /nfs/dbraw/zinc/93/85/51/567938551.db2.gz NQDMNHAPGWNJET-AMZBWDOQSA-N -1 0 254.395 3.553 50 0 CHAARM CC(C)c1cccc(NC(=O)CC2(C(=O)[O-])CCCC2)c1 ZINC000013249097 567941399 /nfs/dbraw/zinc/94/13/99/567941399.db2.gz PRNSMVFSAWQREZ-UHFFFAOYSA-N -1 0 289.375 3.784 50 0 CHAARM Cc1c(-c2ccccc2)c2ccccc2n1CC(=O)[O-] ZINC000004676258 570247866 /nfs/dbraw/zinc/24/78/66/570247866.db2.gz LUFGUZFRTRRCIH-UHFFFAOYSA-N -1 0 265.312 3.701 50 0 CHAARM O=C([O-])c1ccccc1C(=O)Nc1ccc2ccccc2c1 ZINC000000240451 570341894 /nfs/dbraw/zinc/34/18/94/570341894.db2.gz HRQGBQARRPKYPR-UHFFFAOYSA-N -1 0 291.306 3.790 50 0 CHAARM Cc1ccccc1COc1ccc(C(=O)[O-])cc1Cl ZINC000013085100 956934903 /nfs/dbraw/zinc/93/49/03/956934903.db2.gz OIEYINRVODSYPJ-UHFFFAOYSA-N -1 0 276.719 3.926 50 0 CHAARM CC(C)c1nc(-c2ccccc2Cl)ncc1C(=O)[O-] ZINC000050438916 1118496250 /nfs/dbraw/zinc/49/62/50/1118496250.db2.gz CJIZEKSVMXLPJA-UHFFFAOYSA-N -1 0 276.723 3.619 50 0 CHAARM S=c1[n-]nc(C2CCCCC2)n1-c1ccccc1 ZINC000002523439 1128996281 /nfs/dbraw/zinc/99/62/81/1128996281.db2.gz WYVKEKWKMYVFIC-UHFFFAOYSA-N -1 0 259.378 3.978 50 0 CHAARM COc1ccc(Oc2ccc(Cl)cc2CC(=O)[O-])cc1 ZINC000328578959 1123563994 /nfs/dbraw/zinc/56/39/94/1123563994.db2.gz BUIGCIYKSDYLCT-UHFFFAOYSA-N -1 0 292.718 3.768 50 0 CHAARM Cc1ccc(Sc2ccc(/C=C\C(=O)[O-])o2)cc1 ZINC000225967192 1131560481 /nfs/dbraw/zinc/56/04/81/1131560481.db2.gz WQFNBXGHXBYKRN-YWEYNIOJSA-N -1 0 260.314 3.837 50 0 CHAARM CC(C)/C(=C/C(=O)[O-])c1ccc(Br)cc1 ZINC000097371568 185590345 /nfs/dbraw/zinc/59/03/45/185590345.db2.gz UZODWJREQLGISR-XFFZJAGNSA-N -1 0 269.138 3.573 50 0 CHAARM CC(C)c1ccccc1C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000100080549 185704685 /nfs/dbraw/zinc/70/46/85/185704685.db2.gz DMGDRRLSYISNSU-BETUJISGSA-N -1 0 274.360 3.884 50 0 CHAARM O=C([O-])c1c(-c2ccc(Cl)cc2)noc1C(F)(F)F ZINC000086014486 179215146 /nfs/dbraw/zinc/21/51/46/179215146.db2.gz ZJHAYVJVAXHPHX-UHFFFAOYSA-N -1 0 291.612 3.712 50 0 CHAARM O=C([O-])c1cc(-c2cccs2)nc2ccccc21 ZINC000000064786 169523610 /nfs/dbraw/zinc/52/36/10/169523610.db2.gz YDZHUFHFHQWQQB-UHFFFAOYSA-N -1 0 255.298 3.662 50 0 CHAARM CCCc1ccc(OCc2ccc(C(=O)[O-])o2)cc1 ZINC000000133413 169548880 /nfs/dbraw/zinc/54/88/80/169548880.db2.gz HMMGVXIPLFPJFJ-UHFFFAOYSA-N -1 0 260.289 3.509 50 0 CHAARM CC(C)c1ccc(Nc2ncccc2C(=O)[O-])cc1 ZINC000000930774 169683096 /nfs/dbraw/zinc/68/30/96/169683096.db2.gz DCLXMHUTJZKNCY-UHFFFAOYSA-N -1 0 256.305 3.647 50 0 CHAARM CCc1cc2c(ncnc2Nc2ccc(C(=O)[O-])cc2)s1 ZINC000001291401 169694182 /nfs/dbraw/zinc/69/41/82/169694182.db2.gz WSKFGLJPTONFLC-UHFFFAOYSA-N -1 0 299.355 3.696 50 0 CHAARM O=c1cc(C(F)(F)F)[n-]c2ccc(Br)cc12 ZINC000004830865 170025405 /nfs/dbraw/zinc/02/54/05/170025405.db2.gz HIBGBUAHZUWVNW-UHFFFAOYSA-N -1 0 292.054 3.722 50 0 CHAARM CC(C)CC(=O)Nc1sc2c(c1C(=O)[O-])CCCCC2 ZINC000004865627 170032598 /nfs/dbraw/zinc/03/25/98/170032598.db2.gz HQSUWYUQLRRQGL-UHFFFAOYSA-N -1 0 295.404 3.700 50 0 CHAARM Cc1ccc(CNc2cc(C(=O)[O-])ccc2C)s1 ZINC000004935127 170042078 /nfs/dbraw/zinc/04/20/78/170042078.db2.gz WQGYPZFFTVMXHY-UHFFFAOYSA-N -1 0 261.346 3.675 50 0 CHAARM CC(C)Oc1ccc([C@H](CC(=O)[O-])C(C)C)cc1 ZINC000005048159 170060757 /nfs/dbraw/zinc/06/07/57/170060757.db2.gz OWEMFIYUYVNSFA-CQSZACIVSA-N -1 0 250.338 3.688 50 0 CHAARM Cc1ccc(C(=O)[O-])cc1NC(=S)Nc1ccccc1 ZINC000005375198 170090387 /nfs/dbraw/zinc/09/03/87/170090387.db2.gz RKOAHYSTRTWPQV-UHFFFAOYSA-N -1 0 286.356 3.502 50 0 CHAARM COc1ccc(-c2n[n-]c(=S)n2-c2ccc(C)cc2)cc1 ZINC000005687774 170129508 /nfs/dbraw/zinc/12/95/08/170129508.db2.gz XSCGKIDMJUFUJZ-UHFFFAOYSA-N -1 0 297.383 3.914 50 0 CHAARM O=C([O-])c1ccccc1SCCC(F)=C(F)F ZINC000005764100 170138587 /nfs/dbraw/zinc/13/85/87/170138587.db2.gz DMTBGFTWVSWNAF-UHFFFAOYSA-N -1 0 262.252 3.945 50 0 CHAARM Cc1nc(-c2c(C)oc3cc([O-])c(C)cc3c2=O)cs1 ZINC000006008841 170167556 /nfs/dbraw/zinc/16/75/56/170167556.db2.gz QYKSBIZYPYAIQF-UHFFFAOYSA-N -1 0 287.340 3.547 50 0 CHAARM S=c1[n-]nc(CCc2ccccc2)n1-c1ccccc1 ZINC000006534154 170211182 /nfs/dbraw/zinc/21/11/82/170211182.db2.gz VXCWKKYFAOEINW-UHFFFAOYSA-N -1 0 281.384 3.715 50 0 CHAARM COc1ccc(Cc2c(C)[nH]c3ccc(C(=O)[O-])cc32)cc1 ZINC000008715447 170348739 /nfs/dbraw/zinc/34/87/39/170348739.db2.gz HJXCVUVMOWZKTI-UHFFFAOYSA-N -1 0 295.338 3.774 50 0 CHAARM CCOc1cc(C(=O)[O-])ccc1OCc1cccc(C)c1 ZINC000011861773 170449832 /nfs/dbraw/zinc/44/98/32/170449832.db2.gz BWRIJUZGUSIKKH-UHFFFAOYSA-N -1 0 286.327 3.671 50 0 CHAARM O=C([O-])c1ccc(Oc2ccc(Br)cc2)o1 ZINC000012336531 170476677 /nfs/dbraw/zinc/47/66/77/170476677.db2.gz FQCNVCYLNHHFEJ-UHFFFAOYSA-N -1 0 283.077 3.533 50 0 CHAARM O=C([O-])C12c3ccccc3C(c3ccccc31)c1ccccc12 ZINC000019909216 170920665 /nfs/dbraw/zinc/92/06/65/170920665.db2.gz JZZLUQJJPOYTRC-UHFFFAOYSA-N -1 0 298.341 3.913 50 0 CHAARM C[C@H]1CC=CC[C@H]1COCc1cccc(C(=O)[O-])c1 ZINC000020519073 171233069 /nfs/dbraw/zinc/23/30/69/171233069.db2.gz XXFBBSJHZMRSHZ-WFASDCNBSA-N -1 0 260.333 3.504 50 0 CHAARM CCOc1cccc(CNc2cccc(C(=O)[O-])c2C)c1 ZINC000020881181 171277878 /nfs/dbraw/zinc/27/78/78/171277878.db2.gz PLBMBFWZOOTQPH-UHFFFAOYSA-N -1 0 285.343 3.704 50 0 CHAARM C[C@@H](Oc1ccc(-c2nc3ccccc3s2)cc1)C(=O)[O-] ZINC000021964964 171343613 /nfs/dbraw/zinc/34/36/13/171343613.db2.gz MWPVGPUGWCAROK-SNVBAGLBSA-N -1 0 299.351 3.815 50 0 CHAARM O=C([O-])c1cc(-c2ccc(F)cc2)nc2onc(C3CC3)c21 ZINC000022175406 171370606 /nfs/dbraw/zinc/37/06/06/171370606.db2.gz SKYTVXWEFWNEHT-UHFFFAOYSA-N -1 0 298.273 3.605 50 0 CHAARM CC1(C)Cc2cccc(OCc3ccc(C(=O)[O-])cc3)c2O1 ZINC000026422348 171483379 /nfs/dbraw/zinc/48/33/79/171483379.db2.gz UACCNTFMAFPBCN-UHFFFAOYSA-N -1 0 298.338 3.677 50 0 CHAARM O=C([O-])c1ccc2sc(-c3ccccc3)nc2c1 ZINC000033420403 171791774 /nfs/dbraw/zinc/79/17/74/171791774.db2.gz TYWPDVVKWKYPFW-UHFFFAOYSA-N -1 0 255.298 3.662 50 0 CHAARM O=C([O-])c1cc(/C=C\c2cccc(O)c2)nc2ccccc21 ZINC000033463043 171804503 /nfs/dbraw/zinc/80/45/03/171804503.db2.gz HRDRKTYUVQMXGN-HJWRWDBZSA-N -1 0 291.306 3.809 50 0 CHAARM O=C([O-])[C@@H](Sc1ccc(F)cc1F)c1ccccc1 ZINC000037374890 173164372 /nfs/dbraw/zinc/16/43/72/173164372.db2.gz DVDAIOQKIUPXRT-ZDUSSCGKSA-N -1 0 280.295 3.883 50 0 CHAARM O=C([O-])[C@H](Sc1ccc(F)cc1F)c1ccccc1 ZINC000037374892 173164633 /nfs/dbraw/zinc/16/46/33/173164633.db2.gz DVDAIOQKIUPXRT-CYBMUJFWSA-N -1 0 280.295 3.883 50 0 CHAARM COc1ccc(-c2cnc3ccccc3c2)c(C(=O)[O-])c1 ZINC000038068230 174080337 /nfs/dbraw/zinc/08/03/37/174080337.db2.gz YCKKILPTRZQUSL-UHFFFAOYSA-N -1 0 279.295 3.609 50 0 CHAARM CCCc1ccc(Oc2ncccc2C(=O)[O-])cc1 ZINC000040451283 174265793 /nfs/dbraw/zinc/26/57/93/174265793.db2.gz DPQXGFHFZQUMTA-UHFFFAOYSA-N -1 0 257.289 3.525 50 0 CHAARM CC(C)C[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000041392991 174545659 /nfs/dbraw/zinc/54/56/59/174545659.db2.gz RTNLSQASZHIGDN-NSHDSACASA-N -1 0 271.154 3.663 50 0 CHAARM O=C([O-])[C@@H]1CCCC[C@H]1CC(=O)c1ccc(Cl)cc1 ZINC000043879389 175116241 /nfs/dbraw/zinc/11/62/41/175116241.db2.gz PZKWNHCRQTZIHT-WCQYABFASA-N -1 0 280.751 3.804 50 0 CHAARM O=C([O-])/C=C/c1ccc(F)c(Oc2ccccc2)c1 ZINC000044214321 175154246 /nfs/dbraw/zinc/15/42/46/175154246.db2.gz HKHOWWNSOOXVDB-VQHVLOKHSA-N -1 0 258.248 3.716 50 0 CHAARM COc1c(C(C)(C)C)cc(C(=O)[O-])cc1C(C)(C)C ZINC000071455668 176178106 /nfs/dbraw/zinc/17/81/06/176178106.db2.gz XLICOLVSHXFUJG-UHFFFAOYSA-N -1 0 264.365 3.988 50 0 CHAARM O=C([O-])Cc1ncc(C(F)(F)F)cc1-c1cccc(F)c1 ZINC000047206726 566889252 /nfs/dbraw/zinc/88/92/52/566889252.db2.gz BYIMHUTUSGKSFS-UHFFFAOYSA-N -1 0 299.223 3.534 50 0 CHAARM O=C([O-])Cc1ncc(C(F)(F)F)cc1-c1ccccc1F ZINC000047206724 566889871 /nfs/dbraw/zinc/88/98/71/566889871.db2.gz OTGUVHWGXZIQQY-UHFFFAOYSA-N -1 0 299.223 3.534 50 0 CHAARM CS(=O)(=O)[N-]c1ccc(Cl)cc1Oc1ccccc1 ZINC000000401982 566946470 /nfs/dbraw/zinc/94/64/70/566946470.db2.gz ZWBOFNHRMHFUMB-UHFFFAOYSA-N -1 0 297.763 3.504 50 0 CHAARM Cc1ccc(Cl)cc1NC(=O)c1ccccc1C(=O)[O-] ZINC000001640171 567044865 /nfs/dbraw/zinc/04/48/65/567044865.db2.gz FOVBBNXBGNXICC-UHFFFAOYSA-N -1 0 289.718 3.599 50 0 CHAARM C[C@H](/C=C/c1ccccc1)OC(=O)c1ccccc1C(=O)[O-] ZINC000000402107 567056182 /nfs/dbraw/zinc/05/61/82/567056182.db2.gz GCKJZRTZJCMNQL-XZHRJIJLSA-N -1 0 296.322 3.644 50 0 CHAARM C[C@H](CC1CCCCC1)OC(=O)c1ccccc1C(=O)[O-] ZINC000019877583 567089244 /nfs/dbraw/zinc/08/92/44/567089244.db2.gz GMDAKJZJIZNLGS-GFCCVEGCSA-N -1 0 290.359 3.901 50 0 CHAARM Cc1oc(-c2ccc(C(F)(F)F)cc2)cc1C(=O)[O-] ZINC000163977522 567093103 /nfs/dbraw/zinc/09/31/03/567093103.db2.gz WYVHDSDGEDHCCC-UHFFFAOYSA-N -1 0 270.206 3.972 50 0 CHAARM O=C(Nc1ccncc1)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000162833252 567159723 /nfs/dbraw/zinc/15/97/23/567159723.db2.gz NARURRAMHWHUFT-UHFFFAOYSA-N -1 0 298.129 3.738 50 0 CHAARM Cc1oc2cc([O-])ccc2c(=O)c1-c1ccccc1F ZINC000032502172 567191707 /nfs/dbraw/zinc/19/17/07/567191707.db2.gz GGIQYMJSOSBPTJ-UHFFFAOYSA-N -1 0 270.259 3.613 50 0 CHAARM Cn1c(C(=O)[O-])ccc1-c1c(Cl)cccc1Cl ZINC000067299921 567195130 /nfs/dbraw/zinc/19/51/30/567195130.db2.gz GIPJPHBACBWONP-UHFFFAOYSA-N -1 0 270.115 3.697 50 0 CHAARM O=C([O-])c1ccccc1C(=O)Nc1cccc2ccccc21 ZINC000000028113 567816526 /nfs/dbraw/zinc/81/65/26/567816526.db2.gz JXTHEWSKYLZVJC-UHFFFAOYSA-N -1 0 291.306 3.790 50 0 in-vitro CHAARM CC(C)(Oc1ccc([C@H]2CC2(Cl)Cl)cc1)C(=O)[O-] ZINC000000004942 567816546 /nfs/dbraw/zinc/81/65/46/567816546.db2.gz KPSRODZRAIWAKH-SNVBAGLBSA-N -1 0 289.158 3.590 50 0 world CHAARM CCOc1ccc(-c2cc(C(=O)[O-])c3ccccc3n2)cc1 ZINC000000035891 567816806 /nfs/dbraw/zinc/81/68/06/567816806.db2.gz IHEXTMYSORWWOQ-UHFFFAOYSA-N -1 0 293.322 3.999 50 0 CHAARM CC(C)(C)CC(C)(C)c1ccc(OCC(=O)[O-])cc1 ZINC000000064844 567817304 /nfs/dbraw/zinc/81/73/04/567817304.db2.gz GPLFPJQMVKFQMK-UHFFFAOYSA-N -1 0 264.365 3.864 50 0 CHAARM O=C([O-])/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000000093036 567818025 /nfs/dbraw/zinc/81/80/25/567818025.db2.gz QWPUNBPIUCTWSD-VAWYXSNFSA-N -1 0 290.322 3.637 50 0 CHAARM O=C([O-])/C(=C/c1ccsc1)c1cc(F)cc(F)c1 ZINC000000110628 567818566 /nfs/dbraw/zinc/81/85/66/567818566.db2.gz JYJVZVFMPKYTSG-KGVSQERTSA-N -1 0 266.268 3.652 50 0 CHAARM CSc1ccccc1[N-]C(=S)Nc1cccnc1 ZINC000000116740 567818588 /nfs/dbraw/zinc/81/85/88/567818588.db2.gz FDTCYNFZAVQZSM-UHFFFAOYSA-N -1 0 275.402 3.612 50 0 CHAARM O=c1oc2ccccc2c([O-])c1Sc1ccccc1 ZINC000000185234 567821853 /nfs/dbraw/zinc/82/18/53/567821853.db2.gz ZTMBRCRTMABELR-UHFFFAOYSA-N -1 0 270.309 3.650 50 0 CHAARM Cc1cc(C(=O)[O-])c(NC(=O)c2ccccc2Cl)s1 ZINC000000235388 567822381 /nfs/dbraw/zinc/82/23/81/567822381.db2.gz HDKPUQFHQGRBPC-UHFFFAOYSA-N -1 0 295.747 3.660 50 0 CHAARM O=C([O-])c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000000266884 567823305 /nfs/dbraw/zinc/82/33/05/567823305.db2.gz LYDQZIXGFBEQKT-UHFFFAOYSA-N -1 0 257.072 3.952 50 0 CHAARM Cc1c([O-])ccc2c(=O)c(Oc3ccccc3F)coc12 ZINC000000390349 567828398 /nfs/dbraw/zinc/82/83/98/567828398.db2.gz IQQMIFYMCCRRGN-UHFFFAOYSA-N -1 0 286.258 3.738 50 0 CHAARM CCCC(CCC)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000000461928 567831574 /nfs/dbraw/zinc/83/15/74/567831574.db2.gz WDBHZKXAAFDCLZ-UHFFFAOYSA-N -1 0 263.337 3.540 50 0 CHAARM O=C([O-])c1cc(-c2ccccc2)nn1-c1ccccc1Cl ZINC000000732365 567834835 /nfs/dbraw/zinc/83/48/35/567834835.db2.gz CYRDEXQRDDHLDQ-UHFFFAOYSA-N -1 0 298.729 3.891 50 0 CHAARM O=C([O-])C[C@@H](Sc1ccccc1)c1ccccc1 ZINC000001724661 567842813 /nfs/dbraw/zinc/84/28/13/567842813.db2.gz CDSMEKVWCGNQNJ-CQSZACIVSA-N -1 0 258.342 3.995 50 0 in-vitro CHAARM CCCCCCc1cc2c(C)cc(=O)oc2cc1O ZINC000002144721 567844875 /nfs/dbraw/zinc/84/48/75/567844875.db2.gz XYWUXVDEWJKWNX-UHFFFAOYSA-N -1 0 260.333 3.930 50 0 CHAARM O=C([O-])CCCCCCC(=O)c1c(F)cccc1F ZINC000002243662 567845634 /nfs/dbraw/zinc/84/56/34/567845634.db2.gz HONVCDHOINANQZ-UHFFFAOYSA-N -1 0 270.275 3.573 50 0 CHAARM O=C([O-])[C@H](c1cccs1)c1ccc(C(F)(F)F)cc1 ZINC000002382491 567846053 /nfs/dbraw/zinc/84/60/53/567846053.db2.gz PGLWXILEHVBBGX-NSHDSACASA-N -1 0 286.274 3.983 50 0 CHAARM Cc1cc(Cl)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000002521426 567847455 /nfs/dbraw/zinc/84/74/55/567847455.db2.gz FKROTSBHFRRBNI-UHFFFAOYSA-N -1 0 276.719 3.926 50 0 CHAARM Cc1cc(OCc2ccc(C(=O)[O-])cc2)ccc1Cl ZINC000002521405 567847542 /nfs/dbraw/zinc/84/75/42/567847542.db2.gz GGKPGCQWTJQIRC-UHFFFAOYSA-N -1 0 276.719 3.926 50 0 CHAARM O=C([O-])CC[C@H]1CCCCCCCCCCC1=O ZINC000002556213 567848096 /nfs/dbraw/zinc/84/80/96/567848096.db2.gz ZWJHEHCSBAMCBQ-CYBMUJFWSA-N -1 0 254.370 3.951 50 0 CHAARM Cc1cccc2c(C(=O)[O-])cc(-c3ccco3)nc12 ZINC000002755173 567849247 /nfs/dbraw/zinc/84/92/47/567849247.db2.gz AQKBIVUDNKUHNT-UHFFFAOYSA-N -1 0 253.257 3.501 50 0 CHAARM O=C([O-])c1cccnc1Sc1ccccc1Cl ZINC000003426363 567852872 /nfs/dbraw/zinc/85/28/72/567852872.db2.gz YMCMJFXYOSGRJU-UHFFFAOYSA-N -1 0 265.721 3.584 50 0 CHAARM C[C@@H]1CCC[C@H](n2cnc3cc(C(=O)[O-])ccc32)[C@@H]1C ZINC000003913517 567854652 /nfs/dbraw/zinc/85/46/52/567854652.db2.gz JFJGSDXMDSYRFY-GYSYKLTISA-N -1 0 272.348 3.732 50 0 CHAARM COc1cccc(Nc2ncc(C(=O)[O-])c3ccccc23)c1 ZINC000004034403 567855157 /nfs/dbraw/zinc/85/51/57/567855157.db2.gz JISALRNAGIYGKP-UHFFFAOYSA-N -1 0 294.310 3.685 50 0 CHAARM CCOc1ccc(/C=C(\C(=O)[O-])c2cccs2)cc1 ZINC000004218721 567856015 /nfs/dbraw/zinc/85/60/15/567856015.db2.gz PZCSQTLUNYNINW-RAXLEYEMSA-N -1 0 274.341 3.772 50 0 CHAARM O=C([O-])c1ccc(COc2cccc(Cl)c2)s1 ZINC000012357609 567862771 /nfs/dbraw/zinc/86/27/71/567862771.db2.gz QIRNDRHHPZXSCN-UHFFFAOYSA-N -1 0 268.721 3.679 50 0 CHAARM CSc1ccc(-c2ccc(C(=O)[O-])s2)cc1 ZINC000012955856 567864422 /nfs/dbraw/zinc/86/44/22/567864422.db2.gz XESWRPZAGPHDST-UHFFFAOYSA-N -1 0 250.344 3.835 50 0 CHAARM CC(C)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000013042453 567864637 /nfs/dbraw/zinc/86/46/37/567864637.db2.gz MYHDXQYRRVCOHG-UHFFFAOYSA-N -1 0 281.402 3.672 50 0 CHAARM Cc1cc(NC2CCCCC2)nc(-c2ccccc2[O-])n1 ZINC000013122507 567864872 /nfs/dbraw/zinc/86/48/72/567864872.db2.gz RLDIRYHENJYXKS-UHFFFAOYSA-N -1 0 283.375 3.902 50 0 CHAARM S=c1[n-]nc(C(c2ccccc2)c2ccccc2)o1 ZINC000017946026 567876189 /nfs/dbraw/zinc/87/61/89/567876189.db2.gz YCCKTVQLIQQBMK-UHFFFAOYSA-N -1 0 268.341 3.539 50 0 in-vivo CHAARM O=C([O-])C1=C(c2nc3ccccc3s2)CCCC1 ZINC000022864835 567881735 /nfs/dbraw/zinc/88/17/35/567881735.db2.gz UKMNTIUDVJSSNV-UHFFFAOYSA-N -1 0 259.330 3.709 50 0 CHAARM CC(=O)C(Sc1ccc(C)cc1)=C([O-])c1ccccc1 ZINC000100839372 567888712 /nfs/dbraw/zinc/88/87/12/567888712.db2.gz MXQZAHZNHPTZTJ-QGZVFWFLSA-N -1 0 284.380 3.928 50 0 CHAARM O=C([O-])CCCCn1ccc2cc(Br)ccc21 ZINC000034974030 567889114 /nfs/dbraw/zinc/88/91/14/567889114.db2.gz FPHJMJDCDLSXDP-UHFFFAOYSA-N -1 0 296.164 3.659 50 0 CHAARM O=C([O-])c1ccc(-c2ccc(F)c(F)c2)cc1Cl ZINC000065350382 567898506 /nfs/dbraw/zinc/89/85/06/567898506.db2.gz SPJCVBACFLZVGJ-UHFFFAOYSA-N -1 0 268.646 3.983 50 0 CHAARM Cc1c(C(=O)[O-])cccc1-c1cc(O)ccc1Cl ZINC000065351252 567898531 /nfs/dbraw/zinc/89/85/31/567898531.db2.gz IKXZFFSKUCRXOB-UHFFFAOYSA-N -1 0 262.692 3.719 50 0 CHAARM Cc1c(C(=O)[O-])c(-c2ccccc2)nn1Cc1ccccc1 ZINC000066442607 567899901 /nfs/dbraw/zinc/89/99/01/567899901.db2.gz FOJZTJWOSKGABB-UHFFFAOYSA-N -1 0 292.338 3.605 50 0 CHAARM O=C(C=C([O-])c1ccc(F)cc1)c1cc(Cl)ccc1O ZINC000100765096 567928654 /nfs/dbraw/zinc/92/86/54/567928654.db2.gz NRNFZUJYPSVLDH-UHFFFAOYSA-N -1 0 292.693 3.640 50 0 CHAARM Cc1ccc(NC(=O)c2ccc(C)c(C)c2)c(C(=O)[O-])c1 ZINC000004649224 567938387 /nfs/dbraw/zinc/93/83/87/567938387.db2.gz SAAFTIYJXXOMMU-UHFFFAOYSA-N -1 0 283.327 3.562 50 0 CHAARM O=C([O-])C[C@@H](c1ccccc1)[C@@H]1CCc2ccccc2C1=O ZINC000196395070 570304197 /nfs/dbraw/zinc/30/41/97/570304197.db2.gz FNJYHUMCHFPHNB-IRXDYDNUSA-N -1 0 294.350 3.690 50 0 CHAARM [O-]C(c1ccc2ncccc2c1)(C(F)(F)F)C(F)(F)F ZINC000001421835 570335164 /nfs/dbraw/zinc/33/51/64/570335164.db2.gz WLKXUEBKRPIGDY-UHFFFAOYSA-N -1 0 295.182 3.547 50 0 CHAARM Cc1[nH]c2ccccc2c1C=NNc1cccc(C(=O)[O-])c1 ZINC000254798862 961321428 /nfs/dbraw/zinc/32/14/28/961321428.db2.gz RXBGKSWOEJIJHG-UHFFFAOYSA-N -1 0 293.326 3.621 50 0 CHAARM CC(C)C[C@H](Cc1cccc(Br)c1)C(=O)[O-] ZINC000037653648 1125623239 /nfs/dbraw/zinc/62/32/39/1125623239.db2.gz ITEGDFSRLXAEGQ-LLVKDONJSA-N -1 0 285.181 3.739 50 0 CHAARM O=C([O-])c1ccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)cc1 ZINC000003229382 1125680641 /nfs/dbraw/zinc/68/06/41/1125680641.db2.gz PUUNUAFTWRKKEA-NTUHNPAUSA-N -1 0 299.713 3.531 50 0 CHAARM O=C([O-])C/C(=C/c1cccc(O)c1)c1nc2ccccc2o1 ZINC000024828368 1121452929 /nfs/dbraw/zinc/45/29/29/1121452929.db2.gz BZVVTUOIVIAKBW-WQLSENKSSA-N -1 0 295.294 3.549 50 0 CHAARM O=C([O-])/C=C\c1csc(/C=C\c2cccc(F)c2)n1 ZINC000606442803 1121665843 /nfs/dbraw/zinc/66/58/43/1121665843.db2.gz HJZCQYCRMRCIEI-PEPZGXQESA-N -1 0 275.304 3.550 50 0 CHAARM C[C@@H](CC(=O)[O-])CC(=O)N(c1ccccc1)c1ccccc1 ZINC000004680806 1125442531 /nfs/dbraw/zinc/44/25/31/1125442531.db2.gz BTCAWNFNFFMXRJ-CQSZACIVSA-N -1 0 297.354 3.852 50 0 CHAARM CCCCCC1=C(N=Nc2nc(C)cc(=O)[n-]2)CCC1C ZINC000254290270 1129681004 /nfs/dbraw/zinc/68/10/04/1129681004.db2.gz KGUKBELBMCCNDP-UHFFFAOYSA-N -1 0 288.395 3.949 50 0 CHAARM O=C(C[C@H]1CC[C@@H](C(=O)[O-])CC1)c1cccc(Cl)c1 ZINC000100449362 230391975 /nfs/dbraw/zinc/39/19/75/230391975.db2.gz NYTRSJIUYQSYKZ-XYPYZODXSA-N -1 0 280.751 3.804 50 0 CHAARM Cc1cc(C(F)(F)F)cc(-c2cccc(C(=O)[O-])c2)n1 ZINC000091695635 180229169 /nfs/dbraw/zinc/22/91/69/180229169.db2.gz HAXVMOMSTHKFHV-UHFFFAOYSA-N -1 0 281.233 3.774 50 0 CHAARM O=C([O-])c1cnc(Cl)cc1-c1ccc(Cl)cc1 ZINC000261508358 190040065 /nfs/dbraw/zinc/04/00/65/190040065.db2.gz RQKIPKLSFPBJKZ-UHFFFAOYSA-N -1 0 268.099 3.754 50 0 CHAARM C[C@H](C(=O)[O-])c1ccc2c(c1)CC(=O)c1ccccc1S2 ZINC000000016678 169506626 /nfs/dbraw/zinc/50/66/26/169506626.db2.gz MUXFZBHBYYYLTH-JTQLQIEISA-N -1 0 298.363 3.765 50 0 world CHAARM Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)[O-] ZINC000000105162 169537842 /nfs/dbraw/zinc/53/78/42/169537842.db2.gz WQXUUMUOERZZAE-UHFFFAOYSA-N -1 0 272.087 3.655 50 0 in-vitro CHAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)c1cccc2ccccc21 ZINC000071772405 184575913 /nfs/dbraw/zinc/57/59/13/184575913.db2.gz IIMIUKWQEUEQOF-HOTGVXAUSA-N -1 0 282.339 3.914 50 0 CHAARM O=C([O-])c1cccc2ccc(-c3ccc(Cl)nc3)nc21 ZINC000071788770 184576832 /nfs/dbraw/zinc/57/68/32/184576832.db2.gz IBQTUUIPZACTSU-UHFFFAOYSA-N -1 0 284.702 3.648 50 0 CHAARM Cc1ccc2nc(-c3ccccc3O)c(C)c(C(=O)[O-])c2c1 ZINC000001457153 169707163 /nfs/dbraw/zinc/70/71/63/169707163.db2.gz ADXUXAUDSZIRHI-UHFFFAOYSA-N -1 0 293.322 3.922 50 0 CHAARM CCCC[C@@H](C(=O)[O-])[C@H](C)CC(=O)Nc1ccccc1 ZINC000002329724 169786460 /nfs/dbraw/zinc/78/64/60/169786460.db2.gz MRPWMJUQIHSLRT-TZMCWYRMSA-N -1 0 277.364 3.542 50 0 CHAARM Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000002534248 169803971 /nfs/dbraw/zinc/80/39/71/169803971.db2.gz BBTKLRFROISVMD-UHFFFAOYSA-N -1 0 256.301 3.581 50 0 CHAARM COc1ccc2nc(-c3ccc(C)o3)cc(C(=O)[O-])c2c1 ZINC000003757693 169911273 /nfs/dbraw/zinc/91/12/73/169911273.db2.gz OXBVROWWURYIFD-UHFFFAOYSA-N -1 0 283.283 3.510 50 0 CHAARM O=C([O-])c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC000004658787 169994617 /nfs/dbraw/zinc/99/46/17/169994617.db2.gz PSLFQKRPFOCZHR-UHFFFAOYSA-N -1 0 272.178 3.543 50 0 in-vivo CHAARM Cc1ccc(OCCSc2ccccc2C(=O)[O-])cc1 ZINC000004702097 170001965 /nfs/dbraw/zinc/00/19/65/170001965.db2.gz REIWEPQQWHHOCY-UHFFFAOYSA-N -1 0 288.368 3.864 50 0 CHAARM Cc1cccc(NC(=O)c2ccccc2Cl)c1C(=O)[O-] ZINC000004823900 170023697 /nfs/dbraw/zinc/02/36/97/170023697.db2.gz ZXDDWWNTOPHXQH-UHFFFAOYSA-N -1 0 289.718 3.599 50 0 CHAARM Cc1ccc(NC(=O)c2ccccc2Cl)c(C(=O)[O-])c1 ZINC000004905191 170039176 /nfs/dbraw/zinc/03/91/76/170039176.db2.gz HPGFARNPEWZQDF-UHFFFAOYSA-N -1 0 289.718 3.599 50 0 CHAARM O=C([O-])CCCCCCCCCC[C@@H]1CCOC1=O ZINC000005185093 170075054 /nfs/dbraw/zinc/07/50/54/170075054.db2.gz IRSRBMWOTPXSHN-CYBMUJFWSA-N -1 0 270.369 3.535 50 0 CHAARM CC(C)c1ccccc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000005413918 170096155 /nfs/dbraw/zinc/09/61/55/170096155.db2.gz CCYFHZVZJDVQRA-KBPBESRZSA-N -1 0 289.375 3.640 50 0 CHAARM O=C([O-])c1nc2ccc(Cl)cc2c(-c2ccccc2)n1 ZINC000005685088 170128296 /nfs/dbraw/zinc/12/82/96/170128296.db2.gz WOBNNOBIWRSTFY-UHFFFAOYSA-N -1 0 284.702 3.648 50 0 CHAARM COc1ccc(Oc2coc3c(C)c([O-])ccc3c2=O)cc1 ZINC000005730087 170134304 /nfs/dbraw/zinc/13/43/04/170134304.db2.gz YUSOOVAXHOQTFK-UHFFFAOYSA-N -1 0 298.294 3.608 50 0 CHAARM C[C@H](Oc1ccc(C(C)(C)c2ccccc2)cc1)C(=O)[O-] ZINC000006007558 170167965 /nfs/dbraw/zinc/16/79/65/170167965.db2.gz KXNUIPJWPYXKIL-ZDUSSCGKSA-N -1 0 284.355 3.864 50 0 CHAARM CCOc1ccc(-n2c(=S)[n-]nc2-c2ccco2)cc1 ZINC000006499338 170206929 /nfs/dbraw/zinc/20/69/29/170206929.db2.gz LDDIAGDYZRPALL-UHFFFAOYSA-N -1 0 287.344 3.589 50 0 CHAARM Cc1ccccc1-c1n[n-]c(=S)n1-c1ccccc1 ZINC000006713282 170231535 /nfs/dbraw/zinc/23/15/35/170231535.db2.gz FTNVVWLBVDOSPJ-UHFFFAOYSA-N -1 0 267.357 3.905 50 0 CHAARM O=C([O-])c1ccc(CSc2nncc3ccccc32)cc1 ZINC000006829915 170247579 /nfs/dbraw/zinc/24/75/79/170247579.db2.gz OHXQEZHOXRQQFE-UHFFFAOYSA-N -1 0 296.351 3.620 50 0 CHAARM O=C([O-])c1ccc(OCc2cccc(F)c2)c(Cl)c1 ZINC000007603967 170292911 /nfs/dbraw/zinc/29/29/11/170292911.db2.gz RIRZJNDLDRPHJF-UHFFFAOYSA-N -1 0 280.682 3.756 50 0 CHAARM O=C([O-])[C@@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC000011994787 170465657 /nfs/dbraw/zinc/46/56/57/170465657.db2.gz NGUVKIVGNXLBQE-ZDUSSCGKSA-N -1 0 262.692 3.545 50 0 CHAARM O=C([O-])c1ccccc1OCc1cccc(C(F)(F)F)c1 ZINC000013080225 170530675 /nfs/dbraw/zinc/53/06/75/170530675.db2.gz NIXGYHZVZPJAAN-UHFFFAOYSA-N -1 0 296.244 3.983 50 0 CHAARM CCc1ccc(Cl)c(CC)c1NC(=O)CCCC(=O)[O-] ZINC000014199929 170624626 /nfs/dbraw/zinc/62/46/26/170624626.db2.gz NILUUNMDOWHCMB-UHFFFAOYSA-N -1 0 297.782 3.658 50 0 CHAARM Cc1ccccc1NC(=O)CC[C@H](CCC(C)C)C(=O)[O-] ZINC000016624677 170706238 /nfs/dbraw/zinc/70/62/38/170706238.db2.gz NLNUZWTXJCJLDI-AWEZNQCLSA-N -1 0 291.391 3.851 50 0 CHAARM O=C([O-])CCc1ccc(-c2ccccc2Cl)o1 ZINC000020267805 171124398 /nfs/dbraw/zinc/12/43/98/171124398.db2.gz GZJKVQGICNQLGL-UHFFFAOYSA-N -1 0 250.681 3.617 50 0 CHAARM Cn1nc(-c2ccc(C3CCCCC3)cc2)cc1C(=O)[O-] ZINC000026420223 171483126 /nfs/dbraw/zinc/48/31/26/171483126.db2.gz PXBJIFXIBAKFEK-UHFFFAOYSA-N -1 0 284.359 3.833 50 0 CHAARM O=C([O-])c1cc2sccc2n1CCc1ccccc1 ZINC000032501249 171730046 /nfs/dbraw/zinc/73/00/46/171730046.db2.gz RGGIWFRAURWRGZ-UHFFFAOYSA-N -1 0 271.341 3.644 50 0 CHAARM FC(F)(F)c1cc([S-])ccc1Br ZINC000036532978 172638592 /nfs/dbraw/zinc/63/85/92/172638592.db2.gz KAVKNHLQWWOBBY-UHFFFAOYSA-N -1 0 257.074 3.757 50 0 CHAARM O=C([O-])c1cnc(-c2ccccc2C(F)(F)F)s1 ZINC000037343337 173143095 /nfs/dbraw/zinc/14/30/95/173143095.db2.gz FORQZODQNCOHEC-UHFFFAOYSA-N -1 0 273.235 3.527 50 0 CHAARM Cc1ccc(Cn2ccnc2-c2ccccc2C(=O)[O-])cc1 ZINC000071497621 176191848 /nfs/dbraw/zinc/19/18/48/176191848.db2.gz NFQHQPRINAAHKS-UHFFFAOYSA-N -1 0 292.338 3.605 50 0 CHAARM Cc1ccc2nc(-c3ccccc3)cc(C(=O)[O-])c2c1 ZINC000000076295 326789325 /nfs/dbraw/zinc/78/93/25/326789325.db2.gz QTHANKFZSPYAPO-UHFFFAOYSA-N -1 0 263.296 3.908 50 0 CHAARM COc1ccc(-c2c/c(=N\[O-])c3cc(F)ccc3o2)cc1 ZINC000013302171 326839162 /nfs/dbraw/zinc/83/91/62/326839162.db2.gz ZAWXQCROUISMNN-NBVRZTHBSA-N -1 0 285.274 3.537 50 0 CHAARM CC(C)(C)c1ccc(C([O-])=CC(=O)C(F)(F)F)cc1 ZINC000100478889 526761762 /nfs/dbraw/zinc/76/17/62/526761762.db2.gz UROAUAWOKMUVMK-UHFFFAOYSA-N -1 0 272.266 3.688 50 0 CHAARM O=C(Nc1ccc([S-])cc1)c1ccccc1Cl ZINC000016449344 567873114 /nfs/dbraw/zinc/87/31/14/567873114.db2.gz AFXDVNTWIJXFAW-UHFFFAOYSA-N -1 0 263.749 3.881 50 0 CHAARM CC[C@]1(C)Cc2c(sc3[n-]c(=S)[nH]c(=S)c23)CO1 ZINC000001259283 566860491 /nfs/dbraw/zinc/86/04/91/566860491.db2.gz HNPNHWDLKLBDBW-GFCCVEGCSA-N -1 0 298.458 3.884 50 0 CHAARM COc1ccc(C)cc1[N-]c1nc(-c2ccccc2)no1 ZINC000015770749 566895007 /nfs/dbraw/zinc/89/50/07/566895007.db2.gz UNBFSJFDOVPJFY-UHFFFAOYSA-N -1 0 281.315 3.797 50 0 CHAARM Cc1coc(-c2cc(C(=O)[O-])c3cc(C)ccc3n2)c1 ZINC000075279670 566939637 /nfs/dbraw/zinc/93/96/37/566939637.db2.gz NVSJQBLDYKTHBB-UHFFFAOYSA-N -1 0 267.284 3.810 50 0 CHAARM CC(C)(CCSc1ccc(Cl)cc1)C(=O)[O-] ZINC000075284137 566940488 /nfs/dbraw/zinc/94/04/88/566940488.db2.gz NBRDMFXBSPKBIW-UHFFFAOYSA-N -1 0 258.770 3.933 50 0 CHAARM Cc1oc2cc(C(=O)[O-])n(Cc3ccccc3)c2c1C ZINC000075278969 566940513 /nfs/dbraw/zinc/94/05/13/566940513.db2.gz PXVSWYXKBNEYFD-UHFFFAOYSA-N -1 0 269.300 3.598 50 0 CHAARM CC(C)Oc1cccc(C=NNc2ccccc2C(=O)[O-])c1 ZINC000252476820 566973371 /nfs/dbraw/zinc/97/33/71/566973371.db2.gz CEMNPFCKYQTCBW-UHFFFAOYSA-N -1 0 298.342 3.618 50 0 CHAARM Cc1cc(SCCC(=O)[O-])c2cc(Cl)ccc2n1 ZINC000002349726 567100522 /nfs/dbraw/zinc/10/05/22/567100522.db2.gz MYIVSFOTLPIJKN-UHFFFAOYSA-N -1 0 281.764 3.763 50 0 CHAARM CCOc1ccc2nc(C)cc(SCCC(=O)[O-])c2c1 ZINC000002404971 567112605 /nfs/dbraw/zinc/11/26/05/567112605.db2.gz QAUSGQDHJCNHTN-UHFFFAOYSA-N -1 0 291.372 3.509 50 0 CHAARM COc1ccc(C)cc1[C@@H]1C[C@@H](C(=O)[O-])C(C)(C)[C@@H]1C ZINC000059432163 567192747 /nfs/dbraw/zinc/19/27/47/567192747.db2.gz LWFAZDJFNGDVSA-BZPMIXESSA-N -1 0 276.376 3.854 50 0 CHAARM Oc1cc(N2Cc3ccccc3C2)c(F)cc1Cl ZINC000000167510 567821191 /nfs/dbraw/zinc/82/11/91/567821191.db2.gz FWTNWYRZMTYSHL-UHFFFAOYSA-N -1 0 263.699 3.705 50 0 CHAARM O=C([O-])c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC000000125031 567819013 /nfs/dbraw/zinc/81/90/13/567819013.db2.gz JZFPYUNJRRFVQU-UHFFFAOYSA-N -1 0 282.221 3.542 50 0 world CHAARM C=Cc1ccccc1/C=C(\C(=O)[O-])c1ccccc1 ZINC000000330188 567825674 /nfs/dbraw/zinc/82/56/74/567825674.db2.gz PSEYKFRIRANLGX-VBKFSLOCSA-N -1 0 250.297 3.955 50 0 CHAARM C[C@H](C[C@@H](C)C(=O)Nc1ccccc1C(C)(C)C)C(=O)[O-] ZINC000000345911 567825780 /nfs/dbraw/zinc/82/57/80/567825780.db2.gz WKPLLVBUQQDINJ-VXGBXAGGSA-N -1 0 291.391 3.670 50 0 CHAARM Cc1ccccc1-c1cc(C(=O)[O-])c2ccccc2n1 ZINC000000442692 567830227 /nfs/dbraw/zinc/83/02/27/567830227.db2.gz YLQGICXPTGQXFS-UHFFFAOYSA-N -1 0 263.296 3.908 50 0 CHAARM CCCC(CCC)C(=O)Nc1ccccc1C(=O)[O-] ZINC000000468085 567832000 /nfs/dbraw/zinc/83/20/00/567832000.db2.gz HNOHYMZYYNBNCH-UHFFFAOYSA-N -1 0 263.337 3.540 50 0 CHAARM Cc1cccc(NC(=O)c2cc(Cl)ccc2[O-])c1 ZINC000000610431 567833898 /nfs/dbraw/zinc/83/38/98/567833898.db2.gz XMKNUOYWXPHJHN-UHFFFAOYSA-N -1 0 261.708 3.606 50 0 CHAARM O=C([O-])CCCCC(=O)c1cc(Cl)cc(Cl)c1 ZINC000002378660 567845401 /nfs/dbraw/zinc/84/54/01/567845401.db2.gz JFHBKVOETFDMJK-UHFFFAOYSA-N -1 0 275.131 3.821 50 0 CHAARM O=C([O-])c1cc(-c2ccccc2O)nc2c(Cl)cccc12 ZINC000002521450 567847351 /nfs/dbraw/zinc/84/73/51/567847351.db2.gz KVFZPSDQSZKXFB-UHFFFAOYSA-N -1 0 299.713 3.959 50 0 CHAARM O=C([O-])c1ccc(COc2cccc(C(F)(F)F)c2)o1 ZINC000002521385 567847558 /nfs/dbraw/zinc/84/75/58/567847558.db2.gz OJENWIFMNHMEFI-UHFFFAOYSA-N -1 0 286.205 3.576 50 0 CHAARM O=C([O-])/C(=C/c1ccccc1)c1ccc(Cl)cc1 ZINC000011589312 567860084 /nfs/dbraw/zinc/86/00/84/567860084.db2.gz VPXGAYMGNMHRTI-GXDHUFHOSA-N -1 0 258.704 3.965 50 0 CHAARM O=C([O-])c1ccc(COc2ccc(F)cc2Cl)s1 ZINC000012357625 567862639 /nfs/dbraw/zinc/86/26/39/567862639.db2.gz ZGFFSPKCSZGCAQ-UHFFFAOYSA-N -1 0 286.711 3.818 50 0 CHAARM O=C([O-])c1nc(-c2ccc3ccccc3c2)cs1 ZINC000012404819 567862930 /nfs/dbraw/zinc/86/29/30/567862930.db2.gz VTDDRXDSQCHJJF-UHFFFAOYSA-N -1 0 255.298 3.662 50 0 CHAARM O=C([O-])c1ccccc1-c1ncc(-c2ccccc2F)o1 ZINC000012760963 567863777 /nfs/dbraw/zinc/86/37/77/567863777.db2.gz LGKCFCXPJGIKKH-UHFFFAOYSA-N -1 0 283.258 3.846 50 0 CHAARM Cc1ccc(C)c(CSc2nc(CC(=O)[O-])cs2)c1 ZINC000013415969 567866169 /nfs/dbraw/zinc/86/61/69/567866169.db2.gz RSPQZZKKFHRYHJ-UHFFFAOYSA-N -1 0 293.413 3.679 50 0 CHAARM O=c1cc(C(F)(F)F)[n-]c2ccc(C(F)(F)F)cc12 ZINC000015924237 567871716 /nfs/dbraw/zinc/87/17/16/567871716.db2.gz AOGNHURBEDTPIZ-UHFFFAOYSA-N -1 0 281.155 3.978 50 0 CHAARM Cc1ccc2nc(-c3ccc(O)cc3)cc(C(=O)[O-])c2c1 ZINC000019798421 567879243 /nfs/dbraw/zinc/87/92/43/567879243.db2.gz RYBGUJBWECBNFT-UHFFFAOYSA-N -1 0 279.295 3.614 50 0 CHAARM Cc1ccc(SCc2nc(=O)c3sccc3[n-]2)cc1 ZINC000024696378 567882581 /nfs/dbraw/zinc/88/25/81/567882581.db2.gz VNKANMNDYITYIR-UHFFFAOYSA-N -1 0 288.397 3.585 50 0 CHAARM O=C([O-])c1csc(Nc2cc(Cl)ccc2Cl)n1 ZINC000033507867 567886616 /nfs/dbraw/zinc/88/66/16/567886616.db2.gz GRZJALQTWNPLAW-UHFFFAOYSA-N -1 0 289.143 3.892 50 0 CHAARM FC(F)(F)c1cc(Br)ccc1[S-] ZINC000036532974 567889405 /nfs/dbraw/zinc/88/94/05/567889405.db2.gz XBPGBNVNPXUGPS-UHFFFAOYSA-N -1 0 257.074 3.757 50 0 CHAARM FC(F)(F)c1ccc(Br)c([S-])c1 ZINC000036532975 567889414 /nfs/dbraw/zinc/88/94/14/567889414.db2.gz ZXVCDJUEVOLNEV-UHFFFAOYSA-N -1 0 257.074 3.757 50 0 CHAARM O=C([O-])CCC(=O)c1cc(Cl)c(Cl)c(Cl)c1 ZINC000043214186 567892251 /nfs/dbraw/zinc/89/22/51/567892251.db2.gz AUEWPFHIMKARPQ-UHFFFAOYSA-N -1 0 281.522 3.694 50 0 CHAARM Cc1cc(Br)ccc1C(=O)CCCCC(=O)[O-] ZINC000043214134 567892357 /nfs/dbraw/zinc/89/23/57/567892357.db2.gz PAWGPSUTOOCDQN-UHFFFAOYSA-N -1 0 299.164 3.585 50 0 CHAARM CCOc1ccc(Oc2ncc(Cl)cc2C(=O)[O-])cc1 ZINC000049470422 567893135 /nfs/dbraw/zinc/89/31/35/567893135.db2.gz VJKFXCBYZIKRNM-UHFFFAOYSA-N -1 0 293.706 3.624 50 0 CHAARM O=C([O-])CCc1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000049786158 567893900 /nfs/dbraw/zinc/89/39/00/567893900.db2.gz ZQEJOLXAIUSMHU-UHFFFAOYSA-N -1 0 286.114 3.666 50 0 CHAARM O=Cc1ccc(-c2cc(C(=O)[O-])ccc2Cl)cc1 ZINC000065349762 567898551 /nfs/dbraw/zinc/89/85/51/567898551.db2.gz XFSNYZOUSWRPPL-UHFFFAOYSA-N -1 0 260.676 3.518 50 0 CHAARM O=C([O-])c1ccc(-c2cc(O)cc(Br)c2)cc1 ZINC000065343828 567898614 /nfs/dbraw/zinc/89/86/14/567898614.db2.gz GFLRKQGGLVBGNL-UHFFFAOYSA-N -1 0 293.116 3.520 50 0 CHAARM O=C([O-])Cc1ccc2sc(-c3ccccc3)nc2c1 ZINC000000038228 567905450 /nfs/dbraw/zinc/90/54/50/567905450.db2.gz CGJFGPQHBSLGOO-UHFFFAOYSA-N -1 0 269.325 3.590 50 0 CHAARM CCC(CC)(CC(=O)Nc1cccc(SC)c1)C(=O)[O-] ZINC000011261627 567906125 /nfs/dbraw/zinc/90/61/25/567906125.db2.gz UAFQVVONJOBIGU-UHFFFAOYSA-N -1 0 295.404 3.628 50 0 CHAARM O=C([O-])c1ccc(Nc2nc(-c3ccccn3)cs2)cc1 ZINC000000088275 567908801 /nfs/dbraw/zinc/90/88/01/567908801.db2.gz AHSIVPPUDXPGPA-UHFFFAOYSA-N -1 0 297.339 3.647 50 0 CHAARM Cc1[n-]n(-c2cccc(C)c2)c(=O)c1CCc1ccccc1 ZINC000100072434 567911266 /nfs/dbraw/zinc/91/12/66/567911266.db2.gz KFLYUTCLRSQGOB-UHFFFAOYSA-N -1 0 292.382 3.980 50 0 CHAARM O=c1oc2ccccc2c([O-])c1[C@@H]1CCCc2ccccc21 ZINC000100025464 567911961 /nfs/dbraw/zinc/91/19/61/567911961.db2.gz ULSLJYXHZDTLQK-CQSZACIVSA-N -1 0 292.334 3.967 50 0 in-vitro CHAARM Cc1ccc(-c2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC000100070101 567912152 /nfs/dbraw/zinc/91/21/52/567912152.db2.gz FWEJPTNPUOYWAS-UHFFFAOYSA-N -1 0 250.301 3.553 50 0 CHAARM O=c1cc(-c2ccccc2)[n-]n1-c1nc2ccccc2s1 ZINC000100565113 567913541 /nfs/dbraw/zinc/91/35/41/567913541.db2.gz WNAHBSZZRSMTAU-UHFFFAOYSA-N -1 0 293.351 3.855 50 0 aggregator CHAARM CC(C(=O)c1ccc(F)cc1)=C([O-])c1ccc(F)cc1 ZINC000100784177 567913812 /nfs/dbraw/zinc/91/38/12/567913812.db2.gz COEVVOAKXHSGNW-UHFFFAOYSA-N -1 0 274.266 3.667 50 0 CHAARM COc1ccc2oc(-c3ccccc3)c(C(=O)[O-])c2c1 ZINC000000116884 567923359 /nfs/dbraw/zinc/92/33/59/567923359.db2.gz ZAWWFXRAMMHWMM-UHFFFAOYSA-N -1 0 268.268 3.807 50 0 biogenic CHAARM COc1ccc(-c2oc3ccc(OC)cc3c2C(=O)[O-])cc1 ZINC000011865218 567928624 /nfs/dbraw/zinc/92/86/24/567928624.db2.gz ZSTMYNHIGYVMMR-UHFFFAOYSA-N -1 0 298.294 3.815 50 0 biogenic CHAARM Cc1cccc(NC(=S)Nc2ccccc2)c1C(=O)[O-] ZINC000004661270 567932954 /nfs/dbraw/zinc/93/29/54/567932954.db2.gz MPHVEQPOSUMGGS-UHFFFAOYSA-N -1 0 286.356 3.502 50 0 CHAARM CC(C)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000000200496 567935496 /nfs/dbraw/zinc/93/54/96/567935496.db2.gz WASRRXYMRFYFOG-GJZGRUSLSA-N -1 0 289.375 3.640 50 0 CHAARM CCc1cc(C(=O)[O-])c(NC(=O)c2cccc(C)c2)s1 ZINC000000266463 567935602 /nfs/dbraw/zinc/93/56/02/567935602.db2.gz POBWXVTZXOMTEE-UHFFFAOYSA-N -1 0 289.356 3.569 50 0 CHAARM O=C([O-])c1cc2sccc2n1Cc1cccc(F)c1 ZINC000032501245 570337975 /nfs/dbraw/zinc/33/79/75/570337975.db2.gz IZDKLFPECJFLCE-UHFFFAOYSA-N -1 0 275.304 3.588 50 0 CHAARM O=C([O-])c1cccc(OCc2nc3ccccc3s2)c1 ZINC000012851715 570341264 /nfs/dbraw/zinc/34/12/64/570341264.db2.gz FFNQKERQWFLSMZ-UHFFFAOYSA-N -1 0 285.324 3.574 50 0 CHAARM O=C([O-])[C@H](Nc1ccc(Cl)cc1)c1ccccc1 ZINC000001735803 570350887 /nfs/dbraw/zinc/35/08/87/570350887.db2.gz DPUWGZGZBBLNHZ-CYBMUJFWSA-N -1 0 261.708 3.578 50 0 CHAARM Cc1ccc(Cn2cc(-c3ccncc3)cc2C(=O)[O-])cc1 ZINC000169676899 570351539 /nfs/dbraw/zinc/35/15/39/570351539.db2.gz BNKLRSRWUOCMPX-UHFFFAOYSA-N -1 0 292.338 3.605 50 0 CHAARM CCCc1onc(-c2ccc(Cl)s2)c1C(=O)[O-] ZINC000675057970 570365059 /nfs/dbraw/zinc/36/50/59/570365059.db2.gz SYOKORZRMSUJIV-UHFFFAOYSA-N -1 0 271.725 3.707 50 0 CHAARM CCCCCC1CCC(C(=O)N[C@@H](C(=O)[O-])C(C)C)CC1 ZINC000002601593 570396982 /nfs/dbraw/zinc/39/69/82/570396982.db2.gz GYKXAGDNRYWNDU-YMAMQOFZSA-N -1 0 297.439 3.599 50 0 CHAARM