smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)c1cc(F)cc(CN2CCc3c(cccc3C(=O)[O-])C2)c1[O-] ZINC000851706680 979572246 /nfs/dbraw/zinc/57/22/46/979572246.db2.gz DWTDLSOPRZHKER-UHFFFAOYSA-N -2 3 343.354 2.990 20 10 EFCDHL O=C([O-])c1cc2n(n1)CCC[C@@H]2NCc1c([O-])ccc(Cl)c1F ZINC000900069874 980240467 /nfs/dbraw/zinc/24/04/67/980240467.db2.gz BNJHJXIISVKXTJ-JTQLQIEISA-N -2 3 339.754 2.704 20 10 EFCDHL COc1nscc1CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001599742733 991883299 /nfs/dbraw/zinc/88/32/99/991883299.db2.gz FVHXIYVRLHNKGB-UHFFFAOYSA-N -2 3 342.804 2.598 20 10 EFCDHL COc1cc(CN(CC(=O)[O-])Cc2cccc(F)c2[O-])cc(OC)c1 ZINC001599405670 997292685 /nfs/dbraw/zinc/29/26/85/997292685.db2.gz GLHJNEUXDDBIQB-UHFFFAOYSA-N -2 3 349.358 2.635 20 10 EFCDHL Cc1ccc(C(=O)Nc2ccc3c(c2)[nH]cc3C(=O)[O-])c([O-])c1O ZINC001600343794 1094987671 /nfs/dbraw/zinc/98/76/71/1094987671.db2.gz UNLWFJMRGKVXTJ-UHFFFAOYSA-N -2 3 326.308 2.838 20 10 EFCDHL O=C([O-])[C@H](NC(=O)c1cccc(O)c1[O-])c1ccc2ccccc2c1 ZINC001601398752 1095656353 /nfs/dbraw/zinc/65/63/53/1095656353.db2.gz CNCBNGNEVJEJSR-MRXNPFEDSA-N -2 3 337.331 2.807 20 10 EFCDHL O=C([O-])CN(Cc1cnc(C2CC2)nc1)Cc1cc(Cl)ccc1[O-] ZINC001602060241 1096047713 /nfs/dbraw/zinc/04/77/13/1096047713.db2.gz AAUFDYVDWQCZIF-UHFFFAOYSA-N -2 3 347.802 2.800 20 10 EFCDHL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1 ZINC001602232219 1096129692 /nfs/dbraw/zinc/12/96/92/1096129692.db2.gz RDNCNEJOBFJWNH-UHFFFAOYSA-N -3 3 345.735 2.684 20 10 EFCDHL O=C([O-])CN(Cc1nccn1C1CC1)Cc1cc(Cl)ccc1[O-] ZINC001608746989 1098010311 /nfs/dbraw/zinc/01/03/11/1098010311.db2.gz YBQWQQRLADEICL-UHFFFAOYSA-N -2 3 335.791 2.664 20 10 EFCDHL COc1c([O-])c(CN(C)[C@@H](C(=O)[O-])c2ccccc2)ccc1[N+](=O)[O-] ZINC001610278333 1098598402 /nfs/dbraw/zinc/59/84/02/1098598402.db2.gz JKHWODIRQNTZMG-CQSZACIVSA-N -2 3 346.339 2.567 20 10 EFCDHL Cc1ccc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2O)c([O-])c1O ZINC001610485149 1098704811 /nfs/dbraw/zinc/70/48/11/1098704811.db2.gz HRUBFRGIOJWLBM-UHFFFAOYSA-N -2 3 337.715 2.716 20 10 EFCDHL Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000322004561 1105380812 /nfs/dbraw/zinc/38/08/12/1105380812.db2.gz NYHUFGKPIWMQGN-UHFFFAOYSA-N -2 3 335.381 2.519 20 10 EFCDHL Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc([O-])cc2F)c1C ZINC000758169697 575861723 /nfs/dbraw/zinc/86/17/23/575861723.db2.gz AUBBAVROODCAIF-UHFFFAOYSA-N -2 3 340.332 2.857 20 10 EFCDHL CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000758775493 575877301 /nfs/dbraw/zinc/87/73/01/575877301.db2.gz XSKZDQHLQOJSGV-UHFFFAOYSA-N -2 3 345.298 2.813 20 10 EFCDHL CC(C)c1noc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])n1 ZINC000736538892 600144185 /nfs/dbraw/zinc/14/41/85/600144185.db2.gz WBRQCUFBFQXTQR-UHFFFAOYSA-N -2 3 339.779 2.639 20 10 EFCDHL Cn1c(Cl)cnc1CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000739014942 600314963 /nfs/dbraw/zinc/31/49/63/600314963.db2.gz ZFAKOJOVMUFGGO-UHFFFAOYSA-N -2 3 344.198 2.519 20 10 EFCDHL O=C([O-])CN(Cc1cn2ccccc2n1)Cc1cc(Cl)ccc1[O-] ZINC000739799406 600316022 /nfs/dbraw/zinc/31/60/22/600316022.db2.gz FJGQXNCSNAEKHH-UHFFFAOYSA-N -2 3 345.786 2.780 20 10 EFCDHL O=C([O-])c1ccc(CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])o1 ZINC000740132142 600525219 /nfs/dbraw/zinc/52/52/19/600525219.db2.gz DVTVCRSRPRUBQO-UHFFFAOYSA-N -2 3 326.692 2.535 20 10 EFCDHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(O)cc2SC)c1 ZINC000792702867 1279127474 /nfs/dbraw/zinc/12/74/74/1279127474.db2.gz GMYWWEYJKDESHA-UHFFFAOYSA-N -2 3 341.410 2.629 20 10 EFCDHL O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ccncc1[O-] ZINC001188638958 1291439910 /nfs/dbraw/zinc/43/99/10/1291439910.db2.gz QHXWODXBMPUONA-UHFFFAOYSA-N -2 3 329.743 2.624 20 10 EFCDHL Nc1ccccc1S(=O)(=O)[N-]c1ccc([O-])c(Br)c1 ZINC001193923667 1293486257 /nfs/dbraw/zinc/48/62/57/1293486257.db2.gz DUOPBEXRHXBFIV-UHFFFAOYSA-N -2 3 343.202 2.538 20 10 EFCDHL O=S(=O)([N-]c1ccc([O-])cc1F)c1c(F)c(F)cc(F)c1F ZINC000795349015 1300825432 /nfs/dbraw/zinc/82/54/32/1300825432.db2.gz SBJYZMJKSUGPAD-UHFFFAOYSA-N -2 3 339.241 2.889 20 10 EFCDHL Nc1cc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)ccc1O ZINC001210928193 1314411374 /nfs/dbraw/zinc/41/13/74/1314411374.db2.gz YMDYLLRLHGKDJO-UHFFFAOYSA-N -2 3 349.195 2.788 20 10 EFCDHL O=c1c(OC2CC2)c(-c2ccc(O)c(O)c2)oc2cc([O-])cc([O-])c12 ZINC001227463330 1311809384 /nfs/dbraw/zinc/80/93/84/1311809384.db2.gz WQFRCNNSFKRKMA-UHFFFAOYSA-N -2 3 342.303 2.824 20 10 EFCDHL COC[C@H](C)Oc1cc([O-])cc2c1C(=O)c1c([O-])cc(C)cc1C2=O ZINC001227993638 1311885873 /nfs/dbraw/zinc/88/58/73/1311885873.db2.gz DYRDDXCCUCTHBO-JTQLQIEISA-N -2 3 342.347 2.595 20 10 EFCDHL CO[C@H](C)COc1cc([O-])cc2c1C(=O)c1c([O-])cc(C)cc1C2=O ZINC001227993312 1311886124 /nfs/dbraw/zinc/88/61/24/1311886124.db2.gz AJXNXYCIAMFNQP-SNVBAGLBSA-N -2 3 342.347 2.595 20 10 EFCDHL CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)c([O-])cc2F)cc1 ZINC001259177335 1316215314 /nfs/dbraw/zinc/21/53/14/1316215314.db2.gz RGQHHNQSWXOLLX-UHFFFAOYSA-N -2 3 327.308 2.674 20 10 EFCDHL COc1cc(C)ccc1S(=O)(=O)[N-]c1ccc([O-])c(F)c1F ZINC001259203725 1316219631 /nfs/dbraw/zinc/21/96/31/1316219631.db2.gz QCANSKDQESHKKK-UHFFFAOYSA-N -2 3 329.324 2.788 20 10 EFCDHL COC(=O)c1cc([O-])c(F)cc1[N-]S(=O)(=O)CC1CCCCC1 ZINC001259619281 1316263043 /nfs/dbraw/zinc/26/30/43/1316263043.db2.gz HYAWFKQUTVCYJD-UHFFFAOYSA-N -2 3 345.392 2.640 20 10 EFCDHL O=S(=O)([N-]c1cc([O-])cc(Cl)c1)c1cccc2nsnc21 ZINC001260388688 1316336643 /nfs/dbraw/zinc/33/66/43/1316336643.db2.gz ULNVWANHJZFHLI-UHFFFAOYSA-N -2 3 341.801 2.851 20 10 EFCDHL O=C([O-])c1ccc(CNCc2cc(F)cc(F)c2[O-])nc1C1CC1 ZINC000904018941 1324860309 /nfs/dbraw/zinc/86/03/09/1324860309.db2.gz QOOKFRHAUGWVSY-UHFFFAOYSA-N -2 3 334.322 2.931 20 10 EFCDHL CCOc1ccc(-c2nn[n-]n2)cc1NCc1cccc(F)c1[O-] ZINC000825632619 1442049456 /nfs/dbraw/zinc/04/94/56/1442049456.db2.gz YAUQFFAFDMQFFH-UHFFFAOYSA-N -2 3 329.335 2.722 20 10 EFCDHL CCOc1ccc(-c2nnn[n-]2)cc1NCc1cccc(F)c1[O-] ZINC000825632619 1442049460 /nfs/dbraw/zinc/04/94/60/1442049460.db2.gz YAUQFFAFDMQFFH-UHFFFAOYSA-N -2 3 329.335 2.722 20 10 EFCDHL [O-]c1c(Cl)cccc1CNCc1ccc(-c2nnn[n-]2)cc1F ZINC000826510642 1443892058 /nfs/dbraw/zinc/89/20/58/1443892058.db2.gz BVZFYQYGLLJCNR-UHFFFAOYSA-N -2 3 333.754 2.655 20 10 EFCDHL O=C([O-])[C@H]1CCCN(c2ccc(CNCc3c([O-])cccc3F)o2)C1 ZINC001594915934 954751891 /nfs/dbraw/zinc/75/18/91/954751891.db2.gz IFKBEOBNOCRAJB-LBPRGKRZSA-N -2 3 348.374 2.715 20 10 EFCDHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)ccc1O ZINC000388928367 972199182 /nfs/dbraw/zinc/19/91/82/972199182.db2.gz BMLXNDCJPGOHJR-UHFFFAOYSA-N -2 3 341.772 2.853 20 10 EFCDHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1 ZINC001198778136 960584376 /nfs/dbraw/zinc/58/43/76/960584376.db2.gz AQXDOXFUXDAQRG-UHFFFAOYSA-N -3 3 327.745 2.545 20 10 EFCDHL CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1cccc(O)c1[O-] ZINC001591771734 975897493 /nfs/dbraw/zinc/89/74/93/975897493.db2.gz CPQZTSVTEHSEQT-UHFFFAOYSA-N -2 3 331.324 2.836 20 10 EFCDHL CSc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc1 ZINC000776433692 978748100 /nfs/dbraw/zinc/74/81/00/978748100.db2.gz YSPKUHKQONPDKQ-UHFFFAOYSA-N -2 3 339.394 2.613 20 10 EFCDHL CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000795354249 978831837 /nfs/dbraw/zinc/83/18/37/978831837.db2.gz SZTQOBZVRVJZCU-UHFFFAOYSA-N -2 3 335.381 2.762 20 10 EFCDHL O=C([O-])CCCOc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC001601998265 1096013223 /nfs/dbraw/zinc/01/32/23/1096013223.db2.gz RYGGMOWBXDEWNQ-UHFFFAOYSA-N -2 3 331.324 2.594 20 10 EFCDHL O=C([O-])c1coc(CNCc2c([O-])cccc2Br)c1 ZINC001602556893 1096296413 /nfs/dbraw/zinc/29/64/13/1096296413.db2.gz XYLMBPULKQHQEH-UHFFFAOYSA-N -2 3 326.146 2.736 20 10 EFCDHL COc1ccc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])o1 ZINC001607250326 1097575253 /nfs/dbraw/zinc/57/52/53/1097575253.db2.gz CASLJTZLRKWIRD-UHFFFAOYSA-N -2 3 325.748 2.734 20 10 EFCDHL O=C([O-])C[C@@H](NC(=O)c1cccc(O)c1[O-])c1cccc(Cl)c1 ZINC001608673067 1097985501 /nfs/dbraw/zinc/98/55/01/1097985501.db2.gz OMMREQOFJJCNNG-GFCCVEGCSA-N -2 3 335.743 2.697 20 10 EFCDHL CCCc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000013464117 471831156 /nfs/dbraw/zinc/83/11/56/471831156.db2.gz LGTAIVSOLBEYAL-UHFFFAOYSA-N -2 3 335.381 2.844 20 10 EFCDHL O=C(c1ccccc1[O-])N1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000179764605 473721925 /nfs/dbraw/zinc/72/19/25/473721925.db2.gz VXSZQGZUTRPWKD-UHFFFAOYSA-N -2 3 346.814 2.709 20 10 EFCDHL CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000766047058 577101276 /nfs/dbraw/zinc/10/12/76/577101276.db2.gz DGASEOFXFCWNKS-UHFFFAOYSA-N -2 3 347.392 2.721 20 10 EFCDHL CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000766047046 577101377 /nfs/dbraw/zinc/10/13/77/577101377.db2.gz CIXQIRXIUJUXQU-UHFFFAOYSA-N -2 3 342.376 2.944 20 10 EFCDHL COCCc1ccc(S(=O)(=O)[N-]c2ccc([O-])cc2C(C)=O)cc1 ZINC000766047034 577101393 /nfs/dbraw/zinc/10/13/93/577101393.db2.gz BZUXJRQMZOCZNE-UHFFFAOYSA-N -2 3 349.408 2.585 20 10 EFCDHL O=C([O-])CN(Cc1nccn1C(F)F)Cc1cc(Cl)ccc1[O-] ZINC000739794097 600315696 /nfs/dbraw/zinc/31/56/96/600315696.db2.gz QQZFTNFAWXMZJZ-UHFFFAOYSA-N -2 3 345.733 2.724 20 10 EFCDHL O=S(=O)(Cc1cc(F)cc(F)c1)[N-]c1cc(F)c([O-])cc1F ZINC001185135056 1290601876 /nfs/dbraw/zinc/60/18/76/1290601876.db2.gz KLFMACUWBHBROO-UHFFFAOYSA-N -2 3 335.278 2.891 20 10 EFCDHL CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc([O-])c(F)c2F)c1 ZINC001189225948 1291622320 /nfs/dbraw/zinc/62/23/20/1291622320.db2.gz OVINHFJJEQGBMP-UHFFFAOYSA-N -2 3 327.308 2.674 20 10 EFCDHL O=S(=O)(Cc1ccc(F)cc1F)[N-]c1ccc([O-])c(F)c1F ZINC001189813946 1291876697 /nfs/dbraw/zinc/87/66/97/1291876697.db2.gz IVDHRSZBIPHGBZ-UHFFFAOYSA-N -2 3 335.278 2.891 20 10 EFCDHL CC[C@@H](COC)Oc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12 ZINC001234749479 1313188842 /nfs/dbraw/zinc/18/88/42/1313188842.db2.gz UHQVAHCFXOWMLU-JTQLQIEISA-N -2 3 346.335 2.867 20 10 EFCDHL CCO[C@@H](C)COc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12 ZINC001234753884 1313189273 /nfs/dbraw/zinc/18/92/73/1313189273.db2.gz SBQXUPMIUUEQDS-VIFPVBQESA-N -2 3 346.335 2.867 20 10 EFCDHL Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cc1N ZINC001250022567 1315167916 /nfs/dbraw/zinc/16/79/16/1315167916.db2.gz NDXSDEVTSVKARR-UHFFFAOYSA-N -2 3 330.768 2.876 20 10 EFCDHL CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cc(F)c([O-])cc1Cl ZINC000901962903 1311246905 /nfs/dbraw/zinc/24/69/05/1311246905.db2.gz NJXBTLQFNCPGPY-VIFPVBQESA-N -2 3 339.816 2.988 20 10 EFCDHL CC(=O)[C@H](C)Oc1cc([O-])cc2c1C(=O)c1c([O-])cc(C)cc1C2=O ZINC001227994638 1311885905 /nfs/dbraw/zinc/88/59/05/1311885905.db2.gz OFZLNWJVGHSACZ-JTQLQIEISA-N -2 3 340.331 2.538 20 10 EFCDHL O=C(c1cc(O)c([O-])c(O)c1)c1ccc([O-])c(O)c1OC1CC=CC1 ZINC001229787854 1312139443 /nfs/dbraw/zinc/13/94/43/1312139443.db2.gz YDRUKIDNAHGCPU-UHFFFAOYSA-N -2 3 344.319 2.543 20 10 EFCDHL O=S(=O)([N-]Cc1cc(Cl)c2cccnc2c1[O-])C(F)(F)F ZINC001252378529 1315441762 /nfs/dbraw/zinc/44/17/62/1315441762.db2.gz MBPFAPUQKNTSDX-UHFFFAOYSA-N -2 3 340.710 2.533 20 10 EFCDHL O=S(=O)([N-]c1cc(F)c([O-])c(F)c1)c1cc(F)c(F)c(F)c1 ZINC001259499985 1316252308 /nfs/dbraw/zinc/25/23/08/1316252308.db2.gz BOAZWGOTAXNLSA-UHFFFAOYSA-N -2 3 339.241 2.889 20 10 EFCDHL COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc([O-])c(F)c1F ZINC001260296911 1316329753 /nfs/dbraw/zinc/32/97/53/1316329753.db2.gz PSBQYJLUERTEPA-UHFFFAOYSA-N -2 3 329.324 2.788 20 10 EFCDHL Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc1Cl ZINC000751191322 1324720937 /nfs/dbraw/zinc/72/09/37/1324720937.db2.gz XDEFRKNNVVGXAV-UHFFFAOYSA-N -2 3 341.772 2.853 20 10 EFCDHL CN(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000825957858 1425852589 /nfs/dbraw/zinc/85/25/89/1425852589.db2.gz IJUAYNAHBSDWSI-UHFFFAOYSA-N -2 3 347.781 2.997 20 10 EFCDHL O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000013464067 713224994 /nfs/dbraw/zinc/22/49/94/713224994.db2.gz KBHSBWPSDAFDQW-UHFFFAOYSA-N -2 3 327.745 2.545 20 10 EFCDHL O=C([O-])[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708073162 969033299 /nfs/dbraw/zinc/03/32/99/969033299.db2.gz YXAMJXIDUMZOBI-SSDOTTSWSA-N -2 3 334.597 2.715 20 10 EFCDHL Cc1cc(Br)c([O-])c(CN2CCC[C@@]2(C)C(=O)[O-])c1 ZINC001605101915 972755065 /nfs/dbraw/zinc/75/50/65/972755065.db2.gz IORSXAHJDUYHJG-AWEZNQCLSA-N -2 3 328.206 2.902 20 10 EFCDHL CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000790412143 978799157 /nfs/dbraw/zinc/79/91/57/978799157.db2.gz YLDFFZYPKLSCDZ-UHFFFAOYSA-N -2 3 335.381 2.762 20 10 EFCDHL CC(C)(NCc1cc(Cl)c(F)cc1[O-])c1cc(C(=O)[O-])on1 ZINC001590870353 990771634 /nfs/dbraw/zinc/77/16/34/990771634.db2.gz BZBPAQOQFINETB-UHFFFAOYSA-N -2 3 328.727 2.896 20 10 EFCDHL Cn1nc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1Cl ZINC001601010442 1095465610 /nfs/dbraw/zinc/46/56/10/1095465610.db2.gz MWFHUVMSCNNLPT-UHFFFAOYSA-N -2 3 344.198 2.519 20 10 EFCDHL CCCCOC(=O)[C@H](C)N(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001605281606 1097080122 /nfs/dbraw/zinc/08/01/22/1097080122.db2.gz INIKSGHGWKLYQW-NSHDSACASA-N -2 3 343.807 2.664 20 10 EFCDHL CCc1onc(C)c1CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001605895200 1097269806 /nfs/dbraw/zinc/26/98/06/1097269806.db2.gz POXFQGBBVXJQGD-UHFFFAOYSA-N -2 3 338.791 2.991 20 10 EFCDHL COc1c([O-])c(CNc2ccc(C)c(C(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC001607050497 1097502719 /nfs/dbraw/zinc/50/27/19/1097502719.db2.gz NZMYAJNSORIRTR-UHFFFAOYSA-N -2 3 332.312 2.928 20 10 EFCDHL Cc1cc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c(C)c(C)c1O ZINC001607697534 1097702263 /nfs/dbraw/zinc/70/22/63/1097702263.db2.gz KOLZHSWFTKKBLM-UHFFFAOYSA-N -2 3 349.408 2.745 20 10 EFCDHL Cc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C(=O)[O-])cc2)ccc1O ZINC001607696932 1097702331 /nfs/dbraw/zinc/70/23/31/1097702331.db2.gz QKZQJJKFYUJXAY-UHFFFAOYSA-N -2 3 349.408 2.864 20 10 EFCDHL Cc1ccc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)c([O-])c1O ZINC001607735132 1097713987 /nfs/dbraw/zinc/71/39/87/1097713987.db2.gz YHAGGVRHNKBGOB-UHFFFAOYSA-N -2 3 347.392 2.976 20 10 EFCDHL Cn1ncc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1Cl ZINC001608157465 1097848959 /nfs/dbraw/zinc/84/89/59/1097848959.db2.gz HKLYHNFCOQIXBV-UHFFFAOYSA-N -2 3 344.198 2.519 20 10 EFCDHL O=C([O-])c1coc(CNCc2cccc(Br)c2[O-])c1 ZINC001608989430 1098100802 /nfs/dbraw/zinc/10/08/02/1098100802.db2.gz KXPIWSQZDMPOFW-UHFFFAOYSA-N -2 3 326.146 2.736 20 10 EFCDHL COc1c([O-])c(CNc2ccc(CCC(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC001610278369 1098597966 /nfs/dbraw/zinc/59/79/66/1098597966.db2.gz LGZBCVKUQZTMCT-UHFFFAOYSA-N -2 3 346.339 2.938 20 10 EFCDHL CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(O)c2[O-])cc1 ZINC001610384526 1098648628 /nfs/dbraw/zinc/64/86/28/1098648628.db2.gz FZYOAGRYIPDDLO-ZDUSSCGKSA-N -2 3 347.392 2.766 20 10 EFCDHL Cc1ccc(C(=O)Nc2nc(CCCC(=O)[O-])cs2)c([O-])c1O ZINC001610485293 1098705209 /nfs/dbraw/zinc/70/52/09/1098705209.db2.gz SZDHEFQNJOAWOM-UHFFFAOYSA-N -2 3 336.369 2.522 20 10 EFCDHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)cc1C ZINC000321949340 1105207163 /nfs/dbraw/zinc/20/71/63/1105207163.db2.gz CREJOAUYVNDABU-UHFFFAOYSA-N -2 3 335.381 2.762 20 10 EFCDHL Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc([O-])cc2F)c1F ZINC000184616363 1119270650 /nfs/dbraw/zinc/27/06/50/1119270650.db2.gz VECMVWLMUUWDAF-UHFFFAOYSA-N -2 3 344.295 2.688 20 10 EFCDHL Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc([O-])cc1F ZINC000184622205 474566605 /nfs/dbraw/zinc/56/66/05/474566605.db2.gz RQFKWOXAQKIHPY-UHFFFAOYSA-N -2 3 326.305 2.549 20 10 EFCDHL O=c1nc(C=Cc2ccc(N3CCCCC3)cc2)c([N+](=O)[O-])c([O-])[n-]1 ZINC000287184510 475097871 /nfs/dbraw/zinc/09/78/71/475097871.db2.gz KKLZOGNDYOCPBX-RMKNXTFCSA-N -2 3 342.355 2.957 20 10 EFCDHL COc1cccc([C@@H](CC(=O)[O-])NCc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000756336874 575719549 /nfs/dbraw/zinc/71/95/49/575719549.db2.gz BONSLLFQHZCWLT-OAHLLOKOSA-N -2 3 346.339 2.615 20 10 EFCDHL CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1cnc(Cl)c(C)c1 ZINC000758774358 575877335 /nfs/dbraw/zinc/87/73/35/575877335.db2.gz QBHICXNUYRVPKT-UHFFFAOYSA-N -2 3 340.788 2.752 20 10 EFCDHL CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([O-])cc2C(C)=O)cc1 ZINC000758772639 575877345 /nfs/dbraw/zinc/87/73/45/575877345.db2.gz APNNXDNUOTZECA-UHFFFAOYSA-N -2 3 333.365 2.598 20 10 EFCDHL COc1ccc(C=C2SC(=S)[N-]C2=O)c(Br)c1[O-] ZINC000761015619 576101331 /nfs/dbraw/zinc/10/13/31/576101331.db2.gz OVOHUIJBHPXCMF-QPJJXVBHSA-N -2 3 346.227 2.652 20 10 EFCDHL COc1ccc(C=C2SC(=S)[N-]C2=O)c(Br)c1[O-] ZINC000761015618 576101384 /nfs/dbraw/zinc/10/13/84/576101384.db2.gz OVOHUIJBHPXCMF-DAXSKMNVSA-N -2 3 346.227 2.652 20 10 EFCDHL O=C(NCc1cccc(Br)c1[O-])c1c([O-])cccc1F ZINC000765766411 577074037 /nfs/dbraw/zinc/07/40/37/577074037.db2.gz WGSTVQHAXCTREC-UHFFFAOYSA-N -2 3 340.148 2.929 20 10 EFCDHL CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000766048491 577101583 /nfs/dbraw/zinc/10/15/83/577101583.db2.gz UDWRGCFZFUJLDX-JTQLQIEISA-N -2 3 347.392 2.719 20 10 EFCDHL COc1ccc(S(=O)(=O)[N-]c2ccc([O-])cc2C(C)=O)cc1C ZINC000766048892 577101749 /nfs/dbraw/zinc/10/17/49/577101749.db2.gz XMCYHWWPGMJOBI-UHFFFAOYSA-N -2 3 335.381 2.713 20 10 EFCDHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(O)cc2C)c1C ZINC000322054324 601332114 /nfs/dbraw/zinc/33/21/14/601332114.db2.gz XPIIHBKOOCRPLD-UHFFFAOYSA-N -2 3 335.381 2.816 20 10 EFCDHL O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)c1 ZINC000808114413 1281540718 /nfs/dbraw/zinc/54/07/18/1281540718.db2.gz XBMORIWXIPQLLA-UHFFFAOYSA-N -2 3 346.723 2.894 20 10 EFCDHL O=C(c1ccccc1)c1ccc([O-])c(CN2CCn3cncc3C2)c1[O-] ZINC000811787336 1284649946 /nfs/dbraw/zinc/64/99/46/1284649946.db2.gz JFTSKXQUFYQHNE-UHFFFAOYSA-N -2 3 349.390 2.541 20 10 EFCDHL O=S(=O)(C[C@@H]1CCCO1)[N-]c1cc(Cl)c([O-])cc1Cl ZINC001193263785 1293221644 /nfs/dbraw/zinc/22/16/44/1293221644.db2.gz IEYXROOOODRPCU-ZETCQYMHSA-N -2 3 326.201 2.620 20 10 EFCDHL Cc1cc(S(=O)(=O)[N-]c2ccc(O)cc2)cc(C(=O)[O-])c1Cl ZINC000776745286 1300591529 /nfs/dbraw/zinc/59/15/29/1300591529.db2.gz VURDQYVHFUUSSY-UHFFFAOYSA-N -2 3 341.772 2.853 20 10 EFCDHL Cn1cc(S(=O)(=O)[N-]c2ccc([O-])cc2F)c(C2CCCC2)n1 ZINC000901911959 1311186581 /nfs/dbraw/zinc/18/65/81/1311186581.db2.gz HGFWNMISZWRJEN-UHFFFAOYSA-N -2 3 339.392 2.723 20 10 EFCDHL CC(C)n1cc(S(=O)(=O)[N-]c2cc(F)c([O-])cc2Cl)cn1 ZINC000901963554 1311247738 /nfs/dbraw/zinc/24/77/38/1311247738.db2.gz UHTDLINIWFXXCK-UHFFFAOYSA-N -2 3 333.772 2.763 20 10 EFCDHL [O-]c1c(Br)cccc1CNc1ccc(-c2nn[n-]n2)cc1 ZINC000826510803 1424416246 /nfs/dbraw/zinc/41/62/46/1424416246.db2.gz LFLZQEAJNGEWMS-UHFFFAOYSA-N -2 3 346.188 2.947 20 10 EFCDHL [O-]c1c(Br)cccc1CNc1ccc(-c2nnn[n-]2)cc1 ZINC000826510803 1424416249 /nfs/dbraw/zinc/41/62/49/1424416249.db2.gz LFLZQEAJNGEWMS-UHFFFAOYSA-N -2 3 346.188 2.947 20 10 EFCDHL Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1C(=O)[O-] ZINC000317621963 718492661 /nfs/dbraw/zinc/49/26/61/718492661.db2.gz AZRITNYCPQOMFF-UHFFFAOYSA-N -3 3 341.772 2.853 20 10 EFCDHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cs1 ZINC000225614071 728174682 /nfs/dbraw/zinc/17/46/82/728174682.db2.gz KNBHMSYQWZCOCL-UHFFFAOYSA-N -3 3 333.774 2.606 20 10 EFCDHL O=C([O-])CCc1cccc(NC(=O)NCc2c([O-])cccc2F)c1 ZINC001574710631 962709538 /nfs/dbraw/zinc/70/95/38/962709538.db2.gz ZTNSBTUDWBABJV-UHFFFAOYSA-N -2 3 332.331 2.870 20 10 EFCDHL COc1c([O-])c(CNc2cccc(CC(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC001604679795 973870109 /nfs/dbraw/zinc/87/01/09/973870109.db2.gz DVPZPYUGXRYKDN-UHFFFAOYSA-N -2 3 332.312 2.548 20 10 EFCDHL O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1cccc2c1CCCC2 ZINC000776433654 978748106 /nfs/dbraw/zinc/74/81/06/978748106.db2.gz YAFMFEWAOKGGAG-UHFFFAOYSA-N -2 3 347.392 2.770 20 10 EFCDHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)ccc1O ZINC000793412784 978808317 /nfs/dbraw/zinc/80/83/17/978808317.db2.gz UAFLYEROTXPISI-UHFFFAOYSA-N -2 3 339.344 2.647 20 10 EFCDHL CC(=O)c1cc(F)cc(CN2CC[C@](C(=O)[O-])(C(F)(F)F)C2)c1[O-] ZINC000846277690 979443970 /nfs/dbraw/zinc/44/39/70/979443970.db2.gz KCCOHNGPYOEWOO-AWEZNQCLSA-N -2 3 349.280 2.573 20 10 EFCDHL CC(=O)c1cc(F)cc(CN2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)c1[O-] ZINC000846277692 979444465 /nfs/dbraw/zinc/44/44/65/979444465.db2.gz KCCOHNGPYOEWOO-CQSZACIVSA-N -2 3 349.280 2.573 20 10 EFCDHL CC(=O)c1cc(F)cc(CN[C@@H](C)c2ncc(C(=O)[O-])s2)c1[O-] ZINC001589270601 985962959 /nfs/dbraw/zinc/96/29/59/985962959.db2.gz CRVJICZRFLYLFV-ZETCQYMHSA-N -2 3 338.360 2.739 20 10 EFCDHL C[C@H]1CC[C@](NC(=O)c2cccc(O)c2[O-])(C(=O)[O-])c2ccccc21 ZINC001594322996 999245579 /nfs/dbraw/zinc/24/55/79/999245579.db2.gz PSTAZEBZUPUHLU-JEOXALJRSA-N -2 3 341.363 2.705 20 10 EFCDHL Cc1c(NC(=O)NCc2c([O-])cccc2F)ccc(F)c1C(=O)[O-] ZINC001600042599 1094737038 /nfs/dbraw/zinc/73/70/38/1094737038.db2.gz WHRUKTFXGFDZCV-UHFFFAOYSA-N -2 3 336.294 2.999 20 10 EFCDHL O=C([O-])[C@@]1(C(F)(F)F)CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001601706731 1095851103 /nfs/dbraw/zinc/85/11/03/1095851103.db2.gz BZBQCUPRKWFNJV-GFCCVEGCSA-N -2 3 325.233 2.509 20 10 EFCDHL O=C([O-])[C@@H]1CSCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001601856518 1095936081 /nfs/dbraw/zinc/93/60/81/1095936081.db2.gz JXKCAIAWQWCPAX-VIFPVBQESA-N -2 3 336.240 2.949 20 10 EFCDHL O=C([O-])[C@H]1[C@@H]2CN(Cc3cc(Cl)cc(Br)c3[O-])C[C@@H]21 ZINC001602205076 1096116522 /nfs/dbraw/zinc/11/65/22/1096116522.db2.gz TUFSYKHDNONMKU-JZYVYDRUSA-N -2 3 346.608 2.571 20 10 EFCDHL O=C([O-])[C@H](NCc1cc(F)c(F)cc1[O-])c1cc(F)ccc1F ZINC001608548921 1097949771 /nfs/dbraw/zinc/94/97/71/1097949771.db2.gz VFQVTGAYLNYDGZ-CQSZACIVSA-N -2 3 329.249 2.864 20 10 EFCDHL Cn1cc(Cl)c(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])n1 ZINC001610604166 1098779806 /nfs/dbraw/zinc/77/98/06/1098779806.db2.gz DEXBYCBQQRKNED-UHFFFAOYSA-N -2 3 344.198 2.519 20 10 EFCDHL O=C([O-])CN(Cc1cccc2c1OCO2)Cc1cc(Cl)ccc1[O-] ZINC001610780541 1098883516 /nfs/dbraw/zinc/88/35/16/1098883516.db2.gz XZDFWGRHRYFVNQ-UHFFFAOYSA-N -2 3 349.770 2.861 20 10 EFCDHL O=C([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC001610811970 1098906259 /nfs/dbraw/zinc/90/62/59/1098906259.db2.gz FBULQOHYUWISOS-UHFFFAOYSA-N -2 3 327.745 2.545 20 10 EFCDHL O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000366100206 242342294 /nfs/dbraw/zinc/34/22/94/242342294.db2.gz WNKOSEPJLSIIJP-UHFFFAOYSA-N -2 3 341.363 2.539 20 10 EFCDHL C[C@H](c1ccccc1)N(Cc1nc(=O)n(C)[n-]1)Cc1ccccc1[O-] ZINC000754082725 575387342 /nfs/dbraw/zinc/38/73/42/575387342.db2.gz QMGPAIUQFWRKHX-CQSZACIVSA-N -2 3 338.411 2.577 20 10 EFCDHL COc1cccc([C@H](CC(=O)[O-])NCc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000756336873 575719533 /nfs/dbraw/zinc/71/95/33/575719533.db2.gz BONSLLFQHZCWLT-HNNXBMFYSA-N -2 3 346.339 2.615 20 10 EFCDHL CSc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000757658145 575847943 /nfs/dbraw/zinc/84/79/43/575847943.db2.gz XAKSXTNTDVFQON-UHFFFAOYSA-N -2 3 339.394 2.613 20 10 EFCDHL Cc1cc(S(=O)(=O)[N-]c2ccc([O-])cc2F)cc([N+](=O)[O-])c1F ZINC000758169666 575861689 /nfs/dbraw/zinc/86/16/89/575861689.db2.gz AOCYGVCVMUNOFQ-UHFFFAOYSA-N -2 3 344.295 2.688 20 10 EFCDHL O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc([O-])cc1F ZINC000758168998 575861719 /nfs/dbraw/zinc/86/17/19/575861719.db2.gz JSEAUUXSBMJGPV-UHFFFAOYSA-N -2 3 346.723 2.894 20 10 EFCDHL CCOc1ccc(S(=O)(=O)[N-]c2ccc([O-])cc2C(C)=O)cc1 ZINC000758772692 575877290 /nfs/dbraw/zinc/87/72/90/575877290.db2.gz BKLSDDHEIBOTJR-UHFFFAOYSA-N -2 3 335.381 2.794 20 10 EFCDHL CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000758774327 575877293 /nfs/dbraw/zinc/87/72/93/575877293.db2.gz PNKOLCOPUCZZKR-UHFFFAOYSA-N -2 3 327.308 2.674 20 10 EFCDHL CCOCCN(C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000771637010 581229300 /nfs/dbraw/zinc/22/93/00/581229300.db2.gz TVUCHOIXVQAXFC-UHFFFAOYSA-N -2 3 329.396 2.797 20 10 EFCDHL O=C([O-])CN(CC(=O)Nc1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000739783831 600145213 /nfs/dbraw/zinc/14/52/13/600145213.db2.gz NIMOYRYFXJWUAN-UHFFFAOYSA-N -2 3 348.786 2.571 20 10 EFCDHL CC(C)n1ccc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])n1 ZINC000736533087 600262192 /nfs/dbraw/zinc/26/21/92/600262192.db2.gz ZBIGMJJSQYQOEO-UHFFFAOYSA-N -2 3 337.807 2.910 20 10 EFCDHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)ccc1O ZINC000806633063 1281118690 /nfs/dbraw/zinc/11/86/90/1281118690.db2.gz ZZYCYZBJPIVTPQ-UHFFFAOYSA-N -2 3 343.307 2.829 20 10 EFCDHL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c(C)c(C)c1O ZINC000775291502 1291818393 /nfs/dbraw/zinc/81/83/93/1291818393.db2.gz JXKYGOIZMXGYMU-UHFFFAOYSA-N -2 3 335.381 2.816 20 10 EFCDHL O=S(=O)([N-]c1ccc([O-])cc1F)c1ncccc1C(F)(F)F ZINC001194561521 1293669411 /nfs/dbraw/zinc/66/94/11/1293669411.db2.gz DLYCEFABKWDNKJ-UHFFFAOYSA-N -2 3 336.266 2.746 20 10 EFCDHL O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1ccc2nccnc2c1 ZINC001198148455 1294912329 /nfs/dbraw/zinc/91/23/29/1294912329.db2.gz OIQBXAFXTPAMAV-UHFFFAOYSA-N -2 3 335.772 2.790 20 10 EFCDHL CC[C@H](COc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12)OC ZINC001234753519 1313189478 /nfs/dbraw/zinc/18/94/78/1313189478.db2.gz OUSOOQDOIMJVKE-SNVBAGLBSA-N -2 3 346.335 2.867 20 10 EFCDHL O=C1OCc2c1cccc2S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1 ZINC000776750792 1300646868 /nfs/dbraw/zinc/64/68/68/1300646868.db2.gz LGPRULIAWRRMHW-UHFFFAOYSA-N -2 3 339.756 2.517 20 10 EFCDHL Nc1ccc(F)cc1S(=O)(=O)[N-]c1cc(Cl)c([O-])cc1F ZINC001250026460 1315168676 /nfs/dbraw/zinc/16/86/76/1315168676.db2.gz OSMQAKHPEVWGEL-UHFFFAOYSA-N -2 3 334.731 2.707 20 10 EFCDHL COc1ccc(C)cc1S(=O)(=O)[N-]c1cc(F)c([O-])cc1F ZINC001260297991 1316330546 /nfs/dbraw/zinc/33/05/46/1316330546.db2.gz KQQVSETXAGDYMM-UHFFFAOYSA-N -2 3 329.324 2.788 20 10 EFCDHL O=S(=O)([N-]c1c([S-])cccc1Cl)c1cccc2nonc21 ZINC001260442296 1316338943 /nfs/dbraw/zinc/33/89/43/1316338943.db2.gz VONJTDUNWHZWFS-UHFFFAOYSA-N -2 3 341.801 2.966 20 10 EFCDHL COc1ccc(F)cc1S(=O)(=O)[N-]c1cc(F)c([O-])cc1F ZINC001260650882 1316354492 /nfs/dbraw/zinc/35/44/92/1316354492.db2.gz MIWXTGIHIVRNOI-UHFFFAOYSA-N -2 3 333.287 2.619 20 10 EFCDHL Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(O)c(C(=O)[O-])c1 ZINC000314214130 716952111 /nfs/dbraw/zinc/95/21/11/716952111.db2.gz CESIFRTYNWZYSG-UHFFFAOYSA-N -2 3 341.772 2.853 20 10 EFCDHL CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000790412194 978798976 /nfs/dbraw/zinc/79/89/76/978798976.db2.gz ZYWXRNFKQJSCKG-UHFFFAOYSA-N -2 3 339.344 2.593 20 10 EFCDHL O=C([O-])c1cc2n(n1)CCC[C@H]2NCc1c([O-])ccc(Cl)c1F ZINC000900069875 980240567 /nfs/dbraw/zinc/24/05/67/980240567.db2.gz BNJHJXIISVKXTJ-SNVBAGLBSA-N -2 3 339.754 2.704 20 10 EFCDHL O=C([O-])[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccc2ccccc2c1 ZINC001601398751 1095656410 /nfs/dbraw/zinc/65/64/10/1095656410.db2.gz CNCBNGNEVJEJSR-INIZCTEOSA-N -2 3 337.331 2.807 20 10 EFCDHL O=C([O-])c1sc2ccccc2c1CNC(=O)c1cccc(O)c1[O-] ZINC001601530101 1095719811 /nfs/dbraw/zinc/71/98/11/1095719811.db2.gz JGRUADGVSJQBJJ-UHFFFAOYSA-N -2 3 343.360 2.941 20 10 EFCDHL O=C([O-])CN(CCOCC1CCC1)Cc1cc(Cl)ccc1[O-] ZINC001602056093 1096042795 /nfs/dbraw/zinc/04/27/95/1096042795.db2.gz FRHGDPQSMVXPQE-UHFFFAOYSA-N -2 3 327.808 2.749 20 10 EFCDHL COc1cc(NC(=O)NCc2c([O-])cccc2F)ccc1C(=O)[O-] ZINC001607177830 1097551848 /nfs/dbraw/zinc/55/18/48/1097551848.db2.gz DRRNYNOCZHRUIQ-UHFFFAOYSA-N -2 3 334.303 2.560 20 10 EFCDHL O=C([O-])C[C@H](NC(=O)c1cccc(O)c1[O-])c1cccc(Cl)c1 ZINC001608673070 1097985868 /nfs/dbraw/zinc/98/58/68/1097985868.db2.gz OMMREQOFJJCNNG-LBPRGKRZSA-N -2 3 335.743 2.697 20 10 EFCDHL O=C([O-])CN(Cc1cc(C2CC2)no1)Cc1cc(Cl)ccc1[O-] ZINC001608746806 1098009047 /nfs/dbraw/zinc/00/90/47/1098009047.db2.gz MYMUYVQIFOEWCA-UHFFFAOYSA-N -2 3 336.775 2.998 20 10 EFCDHL O=C([O-])[C@@H](NCc1c([O-])ccc(Cl)c1F)c1cccc(O)c1 ZINC001610720637 1098848763 /nfs/dbraw/zinc/84/87/63/1098848763.db2.gz PEZWIXRZMPMHQP-AWEZNQCLSA-N -2 3 325.723 2.806 20 10 EFCDHL O=C([O-])CN(Cc1cnn2ccccc12)Cc1cc(Cl)ccc1[O-] ZINC001610780394 1098882273 /nfs/dbraw/zinc/88/22/73/1098882273.db2.gz MOAFHIRZMJPRIO-UHFFFAOYSA-N -2 3 345.786 2.780 20 10 EFCDHL CC(=O)c1cc(F)cc(CN2CCc3occc3[C@@H]2C(=O)[O-])c1[O-] ZINC000530171608 317069481 /nfs/dbraw/zinc/06/94/81/317069481.db2.gz XQWAEICIPRBCPP-OAHLLOKOSA-N -2 3 333.315 2.511 20 10 EFCDHL O=C([N-][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C(F)(F)F ZINC000134266227 472889875 /nfs/dbraw/zinc/88/98/75/472889875.db2.gz OEOHVHXLVCALNI-LLVKDONJSA-N -2 3 336.741 2.689 20 10 EFCDHL O=C(c1cccc([O-])c1)N1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000180011053 473774906 /nfs/dbraw/zinc/77/49/06/473774906.db2.gz DKQWIPUFWPBZNB-UHFFFAOYSA-N -2 3 346.814 2.709 20 10 EFCDHL COc1ccc([C@@H](CC(=O)[O-])NCc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000756333629 575719123 /nfs/dbraw/zinc/71/91/23/575719123.db2.gz RQIPGDBUDCKYKY-OAHLLOKOSA-N -2 3 346.339 2.615 20 10 EFCDHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc([O-])cc2F)c(Cl)c1 ZINC000758168533 575861645 /nfs/dbraw/zinc/86/16/45/575861645.db2.gz BRYFWBIDIWFOQO-UHFFFAOYSA-N -3 3 345.735 2.684 20 10 EFCDHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2F)c(Cl)c1 ZINC000758168533 575861646 /nfs/dbraw/zinc/86/16/46/575861646.db2.gz BRYFWBIDIWFOQO-UHFFFAOYSA-N -2 3 345.735 2.684 20 10 EFCDHL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc([O-])cc2F)c1 ZINC000758169586 575861664 /nfs/dbraw/zinc/86/16/64/575861664.db2.gz ULWASHRATQEPMA-UHFFFAOYSA-N -3 3 345.735 2.684 20 10 EFCDHL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(O)cc2F)c1 ZINC000758169586 575861665 /nfs/dbraw/zinc/86/16/65/575861665.db2.gz ULWASHRATQEPMA-UHFFFAOYSA-N -2 3 345.735 2.684 20 10 EFCDHL CC(=O)c1cc(F)cc(CN(CC(=O)[O-])Cc2ccccc2)c1[O-] ZINC000825946631 601149490 /nfs/dbraw/zinc/14/94/90/601149490.db2.gz IDBLADBHLLNVSC-UHFFFAOYSA-N -2 3 331.343 2.821 20 10 EFCDHL O=S(=O)(Cc1cc(F)ccc1F)[N-]c1cc(F)c([O-])cc1F ZINC001189689611 1291812262 /nfs/dbraw/zinc/81/22/62/1291812262.db2.gz DEJFKWGGDGJGBN-UHFFFAOYSA-N -2 3 335.278 2.891 20 10 EFCDHL Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Br)c2)cn1 ZINC001198313987 1294985299 /nfs/dbraw/zinc/98/52/99/1294985299.db2.gz KCODVNVLFPHYHJ-UHFFFAOYSA-N -2 3 343.202 2.659 20 10 EFCDHL CCOC[C@H](C)Oc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12 ZINC001234749725 1313188685 /nfs/dbraw/zinc/18/86/85/1313188685.db2.gz VLIMTSJWDUTFTI-VIFPVBQESA-N -2 3 346.335 2.867 20 10 EFCDHL CO[C@H](CS(=O)(=O)[N-]c1cc(F)c([O-])cc1Cl)C(C)C ZINC000901962401 1311246718 /nfs/dbraw/zinc/24/67/18/1311246718.db2.gz HBEFIMANVUHNNF-GFCCVEGCSA-N -2 3 325.789 2.597 20 10 EFCDHL O=S(=O)(CCc1ccc(F)cc1)[N-]c1cc(F)c([O-])cc1F ZINC001259761081 1316274218 /nfs/dbraw/zinc/27/42/18/1316274218.db2.gz JPDGQVWAHTWDIQ-UHFFFAOYSA-N -2 3 331.315 2.794 20 10 EFCDHL CCn1cc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2Cl)cn1 ZINC001259838082 1316285310 /nfs/dbraw/zinc/28/53/10/1316285310.db2.gz USRYJOHYEGKAMT-UHFFFAOYSA-N -2 3 336.200 2.716 20 10 EFCDHL O=S(=O)([N-]c1cc(F)c([O-])cc1F)c1ccc2c(c1)CCC2 ZINC001259861639 1316288448 /nfs/dbraw/zinc/28/84/48/1316288448.db2.gz XEWNARJGYNFQLI-UHFFFAOYSA-N -2 3 325.336 2.960 20 10 EFCDHL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000317032646 717611820 /nfs/dbraw/zinc/61/18/20/717611820.db2.gz ZCFVUMPLHHGMAZ-UHFFFAOYSA-N -2 3 341.772 2.853 20 10 EFCDHL Cc1cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)ccc1C(=O)[O-] ZINC000319522683 721024358 /nfs/dbraw/zinc/02/43/58/721024358.db2.gz DNCIPNLLYYYXIU-UHFFFAOYSA-N -3 3 341.772 2.853 20 10 EFCDHL C[C@H]1CN(Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CCO1 ZINC000728194477 723841837 /nfs/dbraw/zinc/84/18/37/723841837.db2.gz LQVXOMZDSPICFA-ZDUSSCGKSA-N -2 3 327.380 2.550 20 10 EFCDHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c1C ZINC000322413990 970884806 /nfs/dbraw/zinc/88/48/06/970884806.db2.gz AMZAELANWWQUPI-UHFFFAOYSA-N -2 3 335.381 2.816 20 10 EFCDHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cc1 ZINC000808115344 978852220 /nfs/dbraw/zinc/85/22/20/978852220.db2.gz YTBCDWCYSPJXGE-UHFFFAOYSA-N -3 3 345.735 2.684 20 10 EFCDHL COc1ccc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])nc1 ZINC001599558516 998140330 /nfs/dbraw/zinc/14/03/30/998140330.db2.gz GFFRZCQMOPFSIB-UHFFFAOYSA-N -2 3 336.775 2.536 20 10 EFCDHL Cc1cc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])sn1 ZINC001600190661 1094857158 /nfs/dbraw/zinc/85/71/58/1094857158.db2.gz QBECOJCOMHWQFP-UHFFFAOYSA-N -2 3 326.805 2.897 20 10 EFCDHL O=C([O-])c1cnc(Cl)c(NC(=O)NCc2c([O-])cccc2F)c1 ZINC001601530863 1095720129 /nfs/dbraw/zinc/72/01/29/1095720129.db2.gz ZOAUDQIYIGMLNP-UHFFFAOYSA-N -2 3 339.710 2.600 20 10 EFCDHL O=C([O-])[C@@]1(C(F)(F)F)CCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC001601706878 1095851220 /nfs/dbraw/zinc/85/12/20/1095851220.db2.gz FWSYVJMYULBPEQ-GFCCVEGCSA-N -2 3 325.233 2.509 20 10 EFCDHL O=C([O-])c1nc(CNCc2ccc(F)c(F)c2[O-])ccc1Cl ZINC001602569574 1096303730 /nfs/dbraw/zinc/30/37/30/1096303730.db2.gz XSOIVEZBYQPXIQ-UHFFFAOYSA-N -2 3 328.702 2.707 20 10 EFCDHL COc1c([O-])c(CN(C)[C@H](C(=O)[O-])c2ccccc2)ccc1[N+](=O)[O-] ZINC001610278332 1098597728 /nfs/dbraw/zinc/59/77/28/1098597728.db2.gz JKHWODIRQNTZMG-AWEZNQCLSA-N -2 3 346.339 2.567 20 10 EFCDHL COc1ccnc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1 ZINC001610368630 1098642602 /nfs/dbraw/zinc/64/26/02/1098642602.db2.gz CMABSZJSDYMXNW-UHFFFAOYSA-N -2 3 336.775 2.536 20 10 EFCDHL O=C([O-])[C@H](NCc1c([O-])ccc(Cl)c1F)c1cccc(O)c1 ZINC001610720638 1098847218 /nfs/dbraw/zinc/84/72/18/1098847218.db2.gz PEZWIXRZMPMHQP-CQSZACIVSA-N -2 3 325.723 2.806 20 10 EFCDHL Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1 ZINC000322266666 1105989955 /nfs/dbraw/zinc/98/99/55/1105989955.db2.gz UPQZKKPKEQVONG-UHFFFAOYSA-N -2 3 339.344 2.647 20 10 EFCDHL O=C([O-])[C@H](NCc1c([O-])ccc(Cl)c1F)c1ccc(O)cc1 ZINC000756364685 575723728 /nfs/dbraw/zinc/72/37/28/575723728.db2.gz PCPUEBDAIQKAJW-CQSZACIVSA-N -2 3 325.723 2.806 20 10 EFCDHL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc([O-])cc1F ZINC000758170036 575861649 /nfs/dbraw/zinc/86/16/49/575861649.db2.gz GXZUQQUTCQJHDU-UHFFFAOYSA-N -2 3 341.408 2.801 20 10 EFCDHL COc1cc(F)c(S(=O)(=O)[N-]c2ccc([O-])cc2F)c(F)c1 ZINC000758168950 575861703 /nfs/dbraw/zinc/86/17/03/575861703.db2.gz IIAZUBWKRDJRCZ-UHFFFAOYSA-N -2 3 333.287 2.619 20 10 EFCDHL CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000758775353 575877311 /nfs/dbraw/zinc/87/73/11/575877311.db2.gz WHLCYONUCKUMMC-UHFFFAOYSA-N -2 3 327.308 2.674 20 10 EFCDHL O=C(NCc1cccc(Br)c1[O-])c1ccc([O-])c(F)c1 ZINC000765728477 577070925 /nfs/dbraw/zinc/07/09/25/577070925.db2.gz TVAUODQMMQNPNL-UHFFFAOYSA-N -2 3 340.148 2.929 20 10 EFCDHL CC(=O)c1cc(Cl)cc(CN2CCSC[C@H]2CC(=O)[O-])c1[O-] ZINC000825946648 601888071 /nfs/dbraw/zinc/88/80/71/601888071.db2.gz JHWTZLODJDZELW-GFCCVEGCSA-N -2 3 343.832 2.640 20 10 EFCDHL CC(=O)c1cc(F)cc(CN2CCc3ccc(C(=O)[O-])cc3C2)c1[O-] ZINC000833400300 604849136 /nfs/dbraw/zinc/84/91/36/604849136.db2.gz BXYMTLBIVVAVBR-UHFFFAOYSA-N -2 3 343.354 2.990 20 10 EFCDHL O=C(Nc1ccc(F)c(Br)c1[O-])c1cccc(O)c1[O-] ZINC001148219061 1281457748 /nfs/dbraw/zinc/45/77/48/1281457748.db2.gz QNCHUCIPBRHWKZ-UHFFFAOYSA-N -2 3 342.120 2.957 20 10 EFCDHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)cc(O)cc1C ZINC001185914025 1290791329 /nfs/dbraw/zinc/79/13/29/1290791329.db2.gz KIPBMHIQJSAYGW-UHFFFAOYSA-N -2 3 335.381 2.816 20 10 EFCDHL CO[C@@H](C)CCOc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12 ZINC001234750143 1313188520 /nfs/dbraw/zinc/18/85/20/1313188520.db2.gz ZMJMFAMYRZHCMB-VIFPVBQESA-N -2 3 346.335 2.867 20 10 EFCDHL O=c1c2cc(O)c([O-])cc2oc2cc([O-])cc(O[C@@H]3CCCOC3)c12 ZINC001234749280 1313188570 /nfs/dbraw/zinc/18/85/70/1313188570.db2.gz QUWVIRJFYSRUGK-SNVBAGLBSA-N -2 3 344.319 2.621 20 10 EFCDHL CO[C@H](C)CCOc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12 ZINC001234750142 1313188668 /nfs/dbraw/zinc/18/86/68/1313188668.db2.gz ZMJMFAMYRZHCMB-SECBINFHSA-N -2 3 346.335 2.867 20 10 EFCDHL O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1ccc2c(c1)COC2 ZINC000776750835 1300647126 /nfs/dbraw/zinc/64/71/26/1300647126.db2.gz LSNSTHBBHYESOZ-UHFFFAOYSA-N -2 3 325.773 2.877 20 10 EFCDHL O=C([O-])CCCN1C(=O)/C(=C\c2ccc([O-])c(F)c2)SC1=S ZINC000207393699 1304271740 /nfs/dbraw/zinc/27/17/40/1304271740.db2.gz QHOSXDIXYPWVRA-YRNVUSSQSA-N -2 3 341.385 2.597 20 10 EFCDHL CC(=O)[C@@H](C)Oc1cc([O-])cc2c1C(=O)c1c([O-])cc(C)cc1C2=O ZINC001227994640 1311886263 /nfs/dbraw/zinc/88/62/63/1311886263.db2.gz OFZLNWJVGHSACZ-SNVBAGLBSA-N -2 3 340.331 2.538 20 10 EFCDHL CC[C@@H](C)Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229786909 1312139662 /nfs/dbraw/zinc/13/96/62/1312139662.db2.gz PKJWHNXJPOMHFY-MRVPVSSYSA-N -2 3 334.324 2.623 20 10 EFCDHL Cc1ccc(N)cc1S(=O)(=O)[N-]c1cc(F)c([O-])c(Cl)c1 ZINC001214488476 1314698425 /nfs/dbraw/zinc/69/84/25/1314698425.db2.gz FDVNTMLRQZXBCB-UHFFFAOYSA-N -2 3 330.768 2.876 20 10 EFCDHL O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc([O-])cc1F ZINC000315713086 1315436397 /nfs/dbraw/zinc/43/63/97/1315436397.db2.gz UJWHCANRVKLWGX-UHFFFAOYSA-N -2 3 346.723 2.894 20 10 EFCDHL O=S(=O)([N-]c1cc(F)c([O-])cc1F)c1ccc(F)c(F)c1F ZINC001259079681 1316205959 /nfs/dbraw/zinc/20/59/59/1316205959.db2.gz MUZPSJGGVFDWDJ-UHFFFAOYSA-N -2 3 339.241 2.889 20 10 EFCDHL CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([O-])c(F)c2F)cc1 ZINC001259176745 1316214988 /nfs/dbraw/zinc/21/49/88/1316214988.db2.gz OBCDGIKUBFMRGN-UHFFFAOYSA-N -2 3 327.308 2.674 20 10 EFCDHL COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc([O-])c(F)c1 ZINC001260771083 1316367332 /nfs/dbraw/zinc/36/73/32/1316367332.db2.gz WLCJJOUTVUEGNH-UHFFFAOYSA-N -2 3 325.361 2.958 20 10 EFCDHL O=S(=O)([N-]c1ccc(F)c([O-])c1)c1ccc(Cl)c2nonc21 ZINC001261071154 1316388344 /nfs/dbraw/zinc/38/83/44/1316388344.db2.gz OYKKYZKHGUZBIJ-UHFFFAOYSA-N -2 3 343.723 2.522 20 10 EFCDHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1 ZINC000317901950 716391097 /nfs/dbraw/zinc/39/10/97/716391097.db2.gz HHLXYEMKUZSRPR-UHFFFAOYSA-N -3 3 341.772 2.853 20 10 EFCDHL O=C([O-])[C@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708073164 969032583 /nfs/dbraw/zinc/03/25/83/969032583.db2.gz YXAMJXIDUMZOBI-ZETCQYMHSA-N -2 3 334.597 2.715 20 10 EFCDHL [O-]c1c(Cl)cccc1CNc1cc(-c2nnn[n-]2)nc(C2CC2)n1 ZINC001593539069 1094350325 /nfs/dbraw/zinc/35/03/25/1094350325.db2.gz QRSIABGKQZOPHN-UHFFFAOYSA-N -2 3 343.778 2.505 20 10 EFCDHL [O-]c1c(Cl)cccc1CNc1snc(Cl)c1-c1nnn[n-]1 ZINC001593539079 1094350540 /nfs/dbraw/zinc/35/05/40/1094350540.db2.gz RKJXLKQLEWSQIR-UHFFFAOYSA-N -2 3 343.199 2.948 20 10 EFCDHL O=C([O-])C1(CCCCNC(=O)NCc2c([O-])cccc2F)CCC1 ZINC001601496806 1095705475 /nfs/dbraw/zinc/70/54/75/1095705475.db2.gz QEFQLWHDRZZIIR-UHFFFAOYSA-N -2 3 338.379 2.756 20 10 EFCDHL CN(C)c1cc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])ccn1 ZINC001606049653 1097306946 /nfs/dbraw/zinc/30/69/46/1097306946.db2.gz CMRAXQAGLCRARG-UHFFFAOYSA-N -2 3 349.818 2.593 20 10 EFCDHL Cn1ncc(C2CC2)c1CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001608157112 1097848752 /nfs/dbraw/zinc/84/87/52/1097848752.db2.gz MMEDFGQNANNXFV-UHFFFAOYSA-N -2 3 349.818 2.743 20 10 EFCDHL O=C([O-])[C@H]1CN(Cc2cc(F)c(F)cc2[O-])c2ccc(F)cc2O1 ZINC001608645320 1097975581 /nfs/dbraw/zinc/97/55/81/1097975581.db2.gz OWBALDRWRFWCRS-OAHLLOKOSA-N -2 3 339.269 2.662 20 10 EFCDHL O=C([O-])CN(Cc1cc(Cl)ccc1[O-])Cc1cccc2nccn21 ZINC001608746836 1098009667 /nfs/dbraw/zinc/00/96/67/1098009667.db2.gz OLYJJURASADSLU-UHFFFAOYSA-N -2 3 345.786 2.780 20 10 EFCDHL O=C([O-])CN(Cc1cnc(C2CC2)o1)Cc1cc(Cl)ccc1[O-] ZINC001608748225 1098010188 /nfs/dbraw/zinc/01/01/88/1098010188.db2.gz BNCLFWUYCSMKBL-UHFFFAOYSA-N -2 3 336.775 2.998 20 10 EFCDHL C[C@@H](c1ccccc1)N(Cc1nc(=O)n(C)[n-]1)Cc1ccccc1[O-] ZINC000754082723 575387329 /nfs/dbraw/zinc/38/73/29/575387329.db2.gz QMGPAIUQFWRKHX-AWEZNQCLSA-N -2 3 338.411 2.577 20 10 EFCDHL CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000758775167 575877315 /nfs/dbraw/zinc/87/73/15/575877315.db2.gz SIULUONGQUIAND-UHFFFAOYSA-N -2 3 331.393 2.884 20 10 EFCDHL Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000391270512 601332624 /nfs/dbraw/zinc/33/26/24/601332624.db2.gz KZZNSWZBDARZKS-RUDMXATFSA-N -2 3 333.365 2.599 20 10 EFCDHL O=S(=O)([N-]c1ccc([O-])cc1F)c1ccc(C(F)(F)F)cn1 ZINC001194295737 1293592911 /nfs/dbraw/zinc/59/29/11/1293592911.db2.gz WAIGOPBSGWDWJW-UHFFFAOYSA-N -2 3 336.266 2.746 20 10 EFCDHL Cc1ncc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2Cl)n1C ZINC001198399090 1295030092 /nfs/dbraw/zinc/03/00/92/1295030092.db2.gz VKGMJKRVTCXHEA-UHFFFAOYSA-N -2 3 336.200 2.542 20 10 EFCDHL O=c1c2cc(O)c([O-])cc2oc2cc([O-])cc(OC3CCOCC3)c12 ZINC001234748062 1313188528 /nfs/dbraw/zinc/18/85/28/1313188528.db2.gz ZOKNAXYXQGRDBT-UHFFFAOYSA-N -2 3 344.319 2.621 20 10 EFCDHL CC[C@H](COC)Oc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12 ZINC001234749480 1313189025 /nfs/dbraw/zinc/18/90/25/1313189025.db2.gz UHQVAHCFXOWMLU-SNVBAGLBSA-N -2 3 346.335 2.867 20 10 EFCDHL COc1ccc(O)c(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1 ZINC000776748694 1300625613 /nfs/dbraw/zinc/62/56/13/1300625613.db2.gz CGVWZMMAOVISRC-UHFFFAOYSA-N -2 3 329.761 2.561 20 10 EFCDHL O=C1OCc2ccc(S(=O)(=O)[N-]c3ccc([O-])c(Cl)c3)cc21 ZINC000776748767 1300630922 /nfs/dbraw/zinc/63/09/22/1300630922.db2.gz GEZUQEUOQDOVBU-UHFFFAOYSA-N -2 3 339.756 2.517 20 10 EFCDHL O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(C(F)F)c2)ccc1O ZINC000780395003 1311365436 /nfs/dbraw/zinc/36/54/36/1311365436.db2.gz GSHPSUWEZIBIEW-UHFFFAOYSA-N -2 3 343.307 2.829 20 10 EFCDHL O=c1cc(-c2cc(O)c([O-])c(O)c2)oc2cc([O-])cc(OC3CC3)c12 ZINC001229444903 1312097447 /nfs/dbraw/zinc/09/74/47/1312097447.db2.gz YPPYHXRVVDFVNB-UHFFFAOYSA-N -2 3 342.303 2.824 20 10 EFCDHL CC[C@H](C)Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229786910 1312139355 /nfs/dbraw/zinc/13/93/55/1312139355.db2.gz PKJWHNXJPOMHFY-QMMMGPOBSA-N -2 3 334.324 2.623 20 10 EFCDHL C[C@@H](Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1)C1CC1 ZINC001229787336 1312139372 /nfs/dbraw/zinc/13/93/72/1312139372.db2.gz VCQQQISAGQPYRV-MRVPVSSYSA-N -2 3 346.335 2.623 20 10 EFCDHL C[C@H](Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1)C1CC1 ZINC001229787338 1312139590 /nfs/dbraw/zinc/13/95/90/1312139590.db2.gz VCQQQISAGQPYRV-QMMMGPOBSA-N -2 3 346.335 2.623 20 10 EFCDHL O=S(=O)([N-]c1cncc([O-])c1)c1cc(Cl)cc(Cl)c1[O-] ZINC001251389722 1315345257 /nfs/dbraw/zinc/34/52/57/1315345257.db2.gz DRZBOFNHEALGDY-UHFFFAOYSA-N -3 3 335.168 2.600 20 10 EFCDHL O=S(=O)([N-]c1ccc([O-])c(F)c1F)c1cc(F)c(F)cc1F ZINC001259040021 1316200751 /nfs/dbraw/zinc/20/07/51/1316200751.db2.gz XFOYJERASBGLOA-UHFFFAOYSA-N -2 3 339.241 2.889 20 10 EFCDHL O=S(=O)([N-]c1cc(F)c([O-])cc1F)c1cc(F)c(F)c(F)c1 ZINC001259500934 1316251991 /nfs/dbraw/zinc/25/19/91/1316251991.db2.gz QBEXMNNALHZWSG-UHFFFAOYSA-N -2 3 339.241 2.889 20 10 EFCDHL COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc([O-])c(F)c1F ZINC001260650476 1316354285 /nfs/dbraw/zinc/35/42/85/1316354285.db2.gz ZRAUGDULBLRFOB-UHFFFAOYSA-N -2 3 333.287 2.619 20 10 EFCDHL COc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(F)c2F)cc1F ZINC001260662008 1316355890 /nfs/dbraw/zinc/35/58/90/1316355890.db2.gz XASSEXYGNQYRQW-UHFFFAOYSA-N -2 3 333.287 2.619 20 10 EFCDHL COc1ccc(S(=O)(=O)[N-]c2cc(F)c([O-])cc2F)cc1F ZINC001260662421 1316356317 /nfs/dbraw/zinc/35/63/17/1316356317.db2.gz RPSUMMKMMNGQNH-UHFFFAOYSA-N -2 3 333.287 2.619 20 10 EFCDHL C[C@@H]1CN(Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CCO1 ZINC000728194476 723842014 /nfs/dbraw/zinc/84/20/14/723842014.db2.gz LQVXOMZDSPICFA-CYBMUJFWSA-N -2 3 327.380 2.550 20 10 EFCDHL Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC000392667328 725428648 /nfs/dbraw/zinc/42/86/48/725428648.db2.gz WOPVALIGWWAPLP-UHFFFAOYSA-N -2 3 347.392 2.618 20 10 EFCDHL O=C([O-])[C@@H]1C[C@H](NC(=O)NCc2c([O-])cccc2F)c2ccccc21 ZINC001594766411 953534546 /nfs/dbraw/zinc/53/45/46/953534546.db2.gz YDILDFSEKVUPMI-DOMZBBRYSA-N -2 3 344.342 2.644 20 10 EFCDHL O=C([O-])[C@H]1C[C@H](NC(=O)NCc2c([O-])cccc2F)c2ccccc21 ZINC001594766421 953534669 /nfs/dbraw/zinc/53/46/69/953534669.db2.gz YDILDFSEKVUPMI-WFASDCNBSA-N -2 3 344.342 2.644 20 10 EFCDHL CCc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000790416417 978799000 /nfs/dbraw/zinc/79/90/00/978799000.db2.gz XPSUHVGFUBKZBO-UHFFFAOYSA-N -2 3 335.381 2.762 20 10 EFCDHL CC(=O)c1cc(F)cc(CN2CCc3cccc(C(=O)[O-])c3C2)c1[O-] ZINC000846274744 979441725 /nfs/dbraw/zinc/44/17/25/979441725.db2.gz ACZFTRFGSPUEIP-UHFFFAOYSA-N -2 3 343.354 2.990 20 10 EFCDHL CCCn1cncc1CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001596118378 983452869 /nfs/dbraw/zinc/45/28/69/983452869.db2.gz WXOHHMLRWLCYKB-UHFFFAOYSA-N -2 3 337.807 2.739 20 10 EFCDHL CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C)cc1C(=O)[O-] ZINC001597482745 987982573 /nfs/dbraw/zinc/98/25/73/987982573.db2.gz YCTQGXUCIUOTGS-UHFFFAOYSA-N -2 3 335.381 2.762 20 10 EFCDHL CN(C)c1ncccc1CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001598358736 991481113 /nfs/dbraw/zinc/48/11/13/991481113.db2.gz LJSFOAZFYIFPIZ-UHFFFAOYSA-N -2 3 349.818 2.593 20 10 EFCDHL COc1ncccc1CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001599737116 991790842 /nfs/dbraw/zinc/79/08/42/991790842.db2.gz DRADUERXGXWUIB-UHFFFAOYSA-N -2 3 336.775 2.536 20 10 EFCDHL [O-]c1c(Cl)cccc1CNc1nc(-c2nnn[n-]2)c(Cl)s1 ZINC001582814640 1091674622 /nfs/dbraw/zinc/67/46/22/1091674622.db2.gz ORQZUZBPNMSBKR-UHFFFAOYSA-N -2 3 343.199 2.948 20 10 EFCDHL [O-]c1c(Cl)cccc1CNc1nc(-c2nn[n-]n2)c(Cl)s1 ZINC001582814640 1091674630 /nfs/dbraw/zinc/67/46/30/1091674630.db2.gz ORQZUZBPNMSBKR-UHFFFAOYSA-N -2 3 343.199 2.948 20 10 EFCDHL Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c(C(=O)[O-])c1 ZINC001600483229 1095100289 /nfs/dbraw/zinc/10/02/89/1095100289.db2.gz PCHJXOLDJRYPJQ-UHFFFAOYSA-N -3 3 341.772 2.853 20 10 EFCDHL Cc1sc([C@H]2CCCN2C(=O)c2cccc(O)c2[O-])nc1C(=O)[O-] ZINC001600881470 1095403961 /nfs/dbraw/zinc/40/39/61/1095403961.db2.gz DUESUMONNQDSCX-SNVBAGLBSA-N -2 3 348.380 2.538 20 10 EFCDHL Cn1cc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c(Cl)n1 ZINC001600950041 1095441676 /nfs/dbraw/zinc/44/16/76/1095441676.db2.gz IQJPWSOCIZKWTL-UHFFFAOYSA-N -2 3 344.198 2.519 20 10 EFCDHL O=C([O-])[C@]1(C(F)(F)F)CCN(Cc2cc(F)cc(F)c2[O-])C1 ZINC001601706879 1095853989 /nfs/dbraw/zinc/85/39/89/1095853989.db2.gz FWSYVJMYULBPEQ-LBPRGKRZSA-N -2 3 325.233 2.509 20 10 EFCDHL O=C([O-])[C@H]1CSCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001601856517 1095936027 /nfs/dbraw/zinc/93/60/27/1095936027.db2.gz JXKCAIAWQWCPAX-SECBINFHSA-N -2 3 336.240 2.949 20 10 EFCDHL O=C([O-])Cn1ncc2ccc(NCc3cc(F)c(F)cc3[O-])cc21 ZINC001602170260 1096101150 /nfs/dbraw/zinc/10/11/50/1096101150.db2.gz WDLRXMSNJMYKNM-UHFFFAOYSA-N -2 3 333.294 2.717 20 10 EFCDHL O=C([O-])c1ccc(NC(=O)c2cccc(O)c2[O-])c(OC(F)F)c1 ZINC001602379529 1096215423 /nfs/dbraw/zinc/21/54/23/1096215423.db2.gz NPKMLULPATUAMH-UHFFFAOYSA-N -2 3 339.250 2.650 20 10 EFCDHL COCc1cc(NC(=O)NCc2c([O-])cccc2F)cc(C(=O)[O-])c1 ZINC001606948325 1097478443 /nfs/dbraw/zinc/47/84/43/1097478443.db2.gz GSCNWGKBMKZOFE-UHFFFAOYSA-N -2 3 348.330 2.698 20 10 EFCDHL Cc1ccc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c([O-])c1O ZINC001607735153 1097713571 /nfs/dbraw/zinc/71/35/71/1097713571.db2.gz ZPNDHNHLNULOLP-UONOGXRCSA-N -2 3 327.336 2.847 20 10 EFCDHL O=C([O-])c1cc(NC(=O)NCc2c([O-])cccc2F)c(F)cc1F ZINC001608463982 1097926644 /nfs/dbraw/zinc/92/66/44/1097926644.db2.gz MHDZNTBCDJVPNQ-UHFFFAOYSA-N -2 3 340.257 2.829 20 10 EFCDHL O=C([O-])CN(Cc1cnc(Cl)cn1)Cc1cc(Cl)ccc1[O-] ZINC001608748219 1098010572 /nfs/dbraw/zinc/01/05/72/1098010572.db2.gz AUQXGAVKFFGHPR-UHFFFAOYSA-N -2 3 342.182 2.576 20 10 EFCDHL O=C([O-])c1ccc(N2CCN(Cc3cccc(F)c3[O-])CC2)s1 ZINC001608898782 1098063925 /nfs/dbraw/zinc/06/39/25/1098063925.db2.gz NUICCNHCFDFNIZ-UHFFFAOYSA-N -2 3 336.388 2.613 20 10 EFCDHL Cc1noc(C)c1S(=O)(=O)[N-]c1ccc([O-])c(COC(C)C)c1 ZINC000290606973 474579454 /nfs/dbraw/zinc/57/94/54/474579454.db2.gz ZXAVWTNFTMIJFX-UHFFFAOYSA-N -2 3 340.401 2.723 20 10 EFCDHL C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1cccc(F)c1[O-] ZINC000292803926 475203826 /nfs/dbraw/zinc/20/38/26/475203826.db2.gz NXCJTMSVYLQNJN-BXKDBHETSA-N -2 3 334.313 2.563 20 10 EFCDHL O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1ccc([O-])cc1F ZINC000758168948 575861685 /nfs/dbraw/zinc/86/16/85/575861685.db2.gz IFJAIGGDXYEDCR-UHFFFAOYSA-N -2 3 346.723 2.894 20 10 EFCDHL CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000766047814 577101281 /nfs/dbraw/zinc/10/12/81/577101281.db2.gz LFEWXWIMLCISJV-UHFFFAOYSA-N -2 3 345.298 2.813 20 10 EFCDHL CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc([O-])cc2C(C)=O)c1 ZINC000766047319 577101408 /nfs/dbraw/zinc/10/14/08/577101408.db2.gz KBHHYQBGLYBOGS-UHFFFAOYSA-N -2 3 347.392 2.988 20 10 EFCDHL O=C([O-])CN(Cc1nnsc1Cl)Cc1cc(Cl)ccc1[O-] ZINC000739793620 600144661 /nfs/dbraw/zinc/14/46/61/600144661.db2.gz IKGRVFKCALOYMO-UHFFFAOYSA-N -2 3 348.211 2.637 20 10 EFCDHL COc1cccc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])n1 ZINC000738097929 600431667 /nfs/dbraw/zinc/43/16/67/600431667.db2.gz TZCONZMLKJXXGN-UHFFFAOYSA-N -2 3 336.775 2.536 20 10 EFCDHL O=C(Nc1cc(Br)ccc1[O-])c1c([O-])c(O)ccc1F ZINC000790071010 1277208459 /nfs/dbraw/zinc/20/84/59/1277208459.db2.gz PEBCHJBHGJKNQQ-UHFFFAOYSA-N -2 3 342.120 2.957 20 10 EFCDHL CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1 ZINC000821192092 1277466063 /nfs/dbraw/zinc/46/60/63/1277466063.db2.gz ROTRZABCYJCALQ-LBPRGKRZSA-N -2 3 335.809 2.519 20 10 EFCDHL CCC[C@H](CC)S(=O)(=O)[N-]c1cc(F)c([O-])cc1C(=O)OC ZINC000844664375 1279174015 /nfs/dbraw/zinc/17/40/15/1279174015.db2.gz RCBWTSZBXRNCNO-VIFPVBQESA-N -2 3 333.381 2.638 20 10 EFCDHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c(C)c(C)c1O ZINC000775291239 1291818691 /nfs/dbraw/zinc/81/86/91/1291818691.db2.gz GOWAZGHQOKKAMC-UHFFFAOYSA-N -2 3 335.381 2.816 20 10 EFCDHL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000776744052 1300579342 /nfs/dbraw/zinc/57/93/42/1300579342.db2.gz DJSHKTDGPBUIFL-UHFFFAOYSA-N -2 3 341.772 2.853 20 10 EFCDHL O=C(c1cc(O)c([O-])c(O)c1)c1ccc([O-])c(O)c1O[C@H]1C=CCC1 ZINC001229791271 1312140595 /nfs/dbraw/zinc/14/05/95/1312140595.db2.gz MKGVIRWNRFYKCC-JTQLQIEISA-N -2 3 344.319 2.543 20 10 EFCDHL O=C([O-])[C@@H]1C[C@@H](NC(=O)NCc2c([O-])cccc2F)c2ccccc21 ZINC001594766414 953534695 /nfs/dbraw/zinc/53/46/95/953534695.db2.gz YDILDFSEKVUPMI-IUODEOHRSA-N -2 3 344.342 2.644 20 10 EFCDHL O=C([O-])C1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000715761509 977781954 /nfs/dbraw/zinc/78/19/54/977781954.db2.gz MIULPQBSTKVUNL-UHFFFAOYSA-N -2 3 332.169 2.590 20 10 EFCDHL CC(=O)c1cc(F)cc(CN2CCc3cc(C(=O)[O-])ccc3C2)c1[O-] ZINC001589270458 985961044 /nfs/dbraw/zinc/96/10/44/985961044.db2.gz ABRMPUUQNDSFLK-UHFFFAOYSA-N -2 3 343.354 2.990 20 10 EFCDHL COc1c([O-])c(CN2CCc3cc(C(=O)[O-])ccc32)ccc1[N+](=O)[O-] ZINC001599345314 997994626 /nfs/dbraw/zinc/99/46/26/997994626.db2.gz HTDSZQKAPNMPJD-UHFFFAOYSA-N -2 3 344.323 2.570 20 10 EFCDHL [O-]c1c(Cl)cccc1CNc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001607111272 1097518456 /nfs/dbraw/zinc/51/84/56/1097518456.db2.gz PNWZIDDELABGFM-UHFFFAOYSA-N -2 3 343.199 2.948 20 10 EFCDHL O=C([O-])c1cc(NC(=O)c2cccc(O)c2[O-])cc(F)c1Cl ZINC001608502670 1097933553 /nfs/dbraw/zinc/93/35/53/1097933553.db2.gz ILGYEXVPXNRAKO-UHFFFAOYSA-N -2 3 325.679 2.841 20 10 EFCDHL O=C([O-])c1ccc2c(c1)[C@H](CNC(=O)c1cccc(O)c1[O-])CCC2 ZINC001608919703 1098072474 /nfs/dbraw/zinc/07/24/74/1098072474.db2.gz ZWEDBSQLKHEQHV-ZDUSSCGKSA-N -2 3 341.363 2.646 20 10 EFCDHL CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(O)c2[O-])cc1 ZINC001610384525 1098648300 /nfs/dbraw/zinc/64/83/00/1098648300.db2.gz FZYOAGRYIPDDLO-CYBMUJFWSA-N -2 3 347.392 2.766 20 10 EFCDHL O=C([O-])C[C@H]1CSCCN1Cc1cccc(Br)c1[O-] ZINC001610765861 1098873099 /nfs/dbraw/zinc/87/30/99/1098873099.db2.gz HRVNMGKMBGOVJA-JTQLQIEISA-N -2 3 346.246 2.547 20 10 EFCDHL O=C([O-])CN(Cc1cc2n(n1)CCCC2)Cc1cc(Cl)ccc1[O-] ZINC001610780409 1098882771 /nfs/dbraw/zinc/88/27/71/1098882771.db2.gz NRHOBDZICUNECK-UHFFFAOYSA-N -2 3 349.818 2.665 20 10 EFCDHL CCc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1C(=O)[O-] ZINC000322619770 1106578260 /nfs/dbraw/zinc/57/82/60/1106578260.db2.gz RHIAXLGXMYWAGF-UHFFFAOYSA-N -2 3 335.381 2.762 20 10 EFCDHL CCc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1C(=O)[O-] ZINC000322701470 1106636194 /nfs/dbraw/zinc/63/61/94/1106636194.db2.gz LVDMACCQICVLPJ-UHFFFAOYSA-N -2 3 335.381 2.762 20 10 EFCDHL Cc1nc(C=Cc2ccc(N(C)C)c(F)c2)[n-]c(=O)c1CCC(=O)[O-] ZINC000282176676 473971390 /nfs/dbraw/zinc/97/13/90/473971390.db2.gz OHAMWPFBYWZZAC-VMPITWQZSA-N -2 3 345.374 2.883 20 10 EFCDHL COc1ccc(S(=O)(=O)[N-]c2ccc([O-])cc2F)c2cccnc12 ZINC000758168792 575861711 /nfs/dbraw/zinc/86/17/11/575861711.db2.gz GYMHQNMHXPCXJZ-UHFFFAOYSA-N -2 3 348.355 2.889 20 10 EFCDHL CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000758774152 575877326 /nfs/dbraw/zinc/87/73/26/575877326.db2.gz MVFJRSQLKBVZRW-UHFFFAOYSA-N -2 3 327.308 2.674 20 10 EFCDHL COc1ccc(S(=O)(=O)[N-]c2ccc([O-])cc2C(C)=O)cc1F ZINC000758774184 575877339 /nfs/dbraw/zinc/87/73/39/575877339.db2.gz NMMBUPWCPTVKGT-UHFFFAOYSA-N -2 3 339.344 2.543 20 10 EFCDHL CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000761978167 576236500 /nfs/dbraw/zinc/23/65/00/576236500.db2.gz ZECDVEHPVUNQEL-UHFFFAOYSA-N -2 3 344.751 2.583 20 10 EFCDHL O=C(NCc1cccc(Br)c1[O-])c1ccc([O-])cc1F ZINC000765727218 577070840 /nfs/dbraw/zinc/07/08/40/577070840.db2.gz KTVBAWYUJBNFHQ-UHFFFAOYSA-N -2 3 340.148 2.929 20 10 EFCDHL COc1ccc(S(=O)(=O)[N-]c2ccc([O-])cc2C(C)=O)c(C)c1 ZINC000766047134 577101317 /nfs/dbraw/zinc/10/13/17/577101317.db2.gz GFMPTILAMDMAMW-UHFFFAOYSA-N -2 3 335.381 2.713 20 10 EFCDHL CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000766048619 577101796 /nfs/dbraw/zinc/10/17/96/577101796.db2.gz USYNHEWZLXLFLK-UHFFFAOYSA-N -2 3 345.298 2.813 20 10 EFCDHL CC(=O)c1cc(F)cc(CN(C)Cc2cc(C(=O)[O-])c(C)o2)c1[O-] ZINC000825946822 601149569 /nfs/dbraw/zinc/14/95/69/601149569.db2.gz RSVYFYQELXCUEH-UHFFFAOYSA-N -2 3 335.331 2.966 20 10 EFCDHL O=C([O-])CN(Cc1cnc2ccccn12)Cc1cc(Cl)ccc1[O-] ZINC000833249146 602327921 /nfs/dbraw/zinc/32/79/21/602327921.db2.gz FTDAEUQHTQHJJV-UHFFFAOYSA-N -2 3 345.786 2.780 20 10 EFCDHL CC(=O)c1cc(F)cc(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)c1[O-] ZINC000846270606 1280093858 /nfs/dbraw/zinc/09/38/58/1280093858.db2.gz JWYXGGPLHMZHCE-QGZVFWFLSA-N -2 3 343.354 2.918 20 10 EFCDHL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc([O-])c(F)c1F ZINC000830184638 1285726455 /nfs/dbraw/zinc/72/64/55/1285726455.db2.gz LCOXXILZZDEVOI-UHFFFAOYSA-N -2 3 345.371 2.865 20 10 EFCDHL O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1cc(O)c([O-])c(Cl)c1 ZINC001193625279 1293373760 /nfs/dbraw/zinc/37/37/60/1293373760.db2.gz GCYBITMRGLIQKY-UHFFFAOYSA-N -2 3 345.742 2.895 20 10 EFCDHL CC[C@@H](COc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12)OC ZINC001234753518 1313189305 /nfs/dbraw/zinc/18/93/05/1313189305.db2.gz OUSOOQDOIMJVKE-JTQLQIEISA-N -2 3 346.335 2.867 20 10 EFCDHL CCO[C@H](C)COc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12 ZINC001234753881 1313189545 /nfs/dbraw/zinc/18/95/45/1313189545.db2.gz SBQXUPMIUUEQDS-SECBINFHSA-N -2 3 346.335 2.867 20 10 EFCDHL O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc([O-])c(Cl)c3)cc2o1 ZINC000776749016 1300627485 /nfs/dbraw/zinc/62/74/85/1300627485.db2.gz UQLZZLKPYWMVSP-UHFFFAOYSA-N -2 3 340.744 2.693 20 10 EFCDHL Nc1cc(F)ccc1S(=O)(=O)[N-]c1cc(F)c([O-])c(Cl)c1 ZINC001214494110 1314699426 /nfs/dbraw/zinc/69/94/26/1314699426.db2.gz IBEFBISPYDXOJM-UHFFFAOYSA-N -2 3 334.731 2.707 20 10 EFCDHL O=S(=O)([N-]c1ccc([O-])c(F)c1F)c1cc(F)c(F)c(F)c1 ZINC001259500423 1316252073 /nfs/dbraw/zinc/25/20/73/1316252073.db2.gz QWRQFEZFHAUXOP-UHFFFAOYSA-N -2 3 339.241 2.889 20 10 EFCDHL Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000740700900 1322204719 /nfs/dbraw/zinc/20/47/19/1322204719.db2.gz JDJQCIUDJILHEU-UHFFFAOYSA-N -2 3 347.392 2.688 20 10 EFCDHL Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(O)c(C(=O)[O-])c1 ZINC000314294608 719358840 /nfs/dbraw/zinc/35/88/40/719358840.db2.gz SPEPXIIDAPMLOE-UHFFFAOYSA-N -2 3 341.772 2.853 20 10 EFCDHL O=C([O-])c1ccccc1C1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC001595250177 949551891 /nfs/dbraw/zinc/55/18/91/949551891.db2.gz FESXAGGWHXSVGV-UHFFFAOYSA-N -2 3 341.363 2.816 20 10 EFCDHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])c(C)c1 ZINC000013463984 957094138 /nfs/dbraw/zinc/09/41/38/957094138.db2.gz YJNUFBSAROAGML-UHFFFAOYSA-N -2 3 335.381 2.816 20 10 EFCDHL Cc1cc(Br)c([O-])c(CN2CCC[C@]2(C)C(=O)[O-])c1 ZINC001605101917 972755585 /nfs/dbraw/zinc/75/55/85/972755585.db2.gz IORSXAHJDUYHJG-CQSZACIVSA-N -2 3 328.206 2.902 20 10 EFCDHL CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000790416410 978799386 /nfs/dbraw/zinc/79/93/86/978799386.db2.gz XBAAMHDYAFNLRM-UHFFFAOYSA-N -2 3 335.381 2.762 20 10 EFCDHL CCCn1nccc1CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001596121632 983459879 /nfs/dbraw/zinc/45/98/79/983459879.db2.gz FPJNOBCHVKSTGU-UHFFFAOYSA-N -2 3 337.807 2.739 20 10 EFCDHL COCc1cc(NC(=O)c2ccc(C)c(O)c2[O-])cc(C(=O)[O-])c1 ZINC001599288827 997027897 /nfs/dbraw/zinc/02/78/97/997027897.db2.gz UCAZMKXTDWGGJC-UHFFFAOYSA-N -2 3 331.324 2.503 20 10 EFCDHL [O-]c1c(Cl)cc(Cl)cc1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001593538697 1094349477 /nfs/dbraw/zinc/34/94/77/1094349477.db2.gz BBKPTSFKNLGRJZ-UHFFFAOYSA-N -2 3 337.170 2.886 20 10 EFCDHL Cc1ccc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c([O-])c1O ZINC001600343764 1094988324 /nfs/dbraw/zinc/98/83/24/1094988324.db2.gz RLDXVXANSDIBFW-UHFFFAOYSA-N -2 3 345.351 2.902 20 10 EFCDHL Cc1sc([C@@H]2CCCN2C(=O)c2cccc(O)c2[O-])nc1C(=O)[O-] ZINC001600881469 1095403014 /nfs/dbraw/zinc/40/30/14/1095403014.db2.gz DUESUMONNQDSCX-JTQLQIEISA-N -2 3 348.380 2.538 20 10 EFCDHL O=C([O-])[C@@]1(C(F)(F)F)CCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001601707919 1095856274 /nfs/dbraw/zinc/85/62/74/1095856274.db2.gz WHKGFABAFAWDEE-GFCCVEGCSA-N -2 3 325.233 2.509 20 10 EFCDHL O=C([O-])CN(Cc1cn(C2CC2)cn1)Cc1cc(Cl)ccc1[O-] ZINC001608748312 1098010138 /nfs/dbraw/zinc/01/01/38/1098010138.db2.gz LASPJTOSVVYHRH-UHFFFAOYSA-N -2 3 335.791 2.664 20 10 EFCDHL Cc1cc([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)ccc1O ZINC000322751973 1106633794 /nfs/dbraw/zinc/63/37/94/1106633794.db2.gz XIVAPOXNHLEBER-UHFFFAOYSA-N -2 3 339.344 2.647 20 10 EFCDHL COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc([O-])cc2F)c1 ZINC000758170197 575861658 /nfs/dbraw/zinc/86/16/58/575861658.db2.gz JOTIPFKHEUUWNF-UHFFFAOYSA-N -2 3 331.752 2.994 20 10 EFCDHL O=S(=O)([N-]c1ccc([O-])cc1F)c1ccccc1-c1ccno1 ZINC000758169651 575861725 /nfs/dbraw/zinc/86/17/25/575861725.db2.gz WTWHKILMQBXVEA-UHFFFAOYSA-N -2 3 334.328 2.987 20 10 EFCDHL O=S(=O)([N-]c1ccc([O-])cc1F)c1ccc(Br)o1 ZINC000758943486 575880841 /nfs/dbraw/zinc/88/08/41/575880841.db2.gz FIGYMDHBGFGXRG-UHFFFAOYSA-N -2 3 336.138 2.688 20 10 EFCDHL O=C(NCc1cccc(Br)c1[O-])c1ccc(F)cc1[O-] ZINC000765764097 577074084 /nfs/dbraw/zinc/07/40/84/577074084.db2.gz HZJBHFMRXDGCIP-UHFFFAOYSA-N -2 3 340.148 2.929 20 10 EFCDHL O=C([O-])CN(Cc1cc(Cl)ccc1[O-])CC(F)(F)C(F)F ZINC000739793174 600262207 /nfs/dbraw/zinc/26/22/07/600262207.db2.gz BMWNKKMEQHJNDG-UHFFFAOYSA-N -2 3 329.677 2.833 20 10 EFCDHL Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000391270514 601332698 /nfs/dbraw/zinc/33/26/98/601332698.db2.gz KZZNSWZBDARZKS-WTKPLQERSA-N -2 3 333.365 2.599 20 10 EFCDHL CCc1noc(C)c1CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000830344521 601953620 /nfs/dbraw/zinc/95/36/20/601953620.db2.gz USMIALGTBODKLZ-UHFFFAOYSA-N -2 3 338.791 2.991 20 10 EFCDHL Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000318532776 604990177 /nfs/dbraw/zinc/99/01/77/604990177.db2.gz JXFPYNUIROCIFY-UHFFFAOYSA-N -2 3 341.772 2.853 20 10 EFCDHL CCC[C@@H](CC)S(=O)(=O)[N-]c1cc(F)c([O-])cc1C(=O)OC ZINC000844664374 1279173784 /nfs/dbraw/zinc/17/37/84/1279173784.db2.gz RCBWTSZBXRNCNO-SECBINFHSA-N -2 3 333.381 2.638 20 10 EFCDHL Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2C)cc1C(=O)[O-] ZINC001184697017 1290494835 /nfs/dbraw/zinc/49/48/35/1290494835.db2.gz NIHLJAFDNGWDHI-UHFFFAOYSA-N -2 3 335.381 2.816 20 10 EFCDHL Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccc([O-])c(F)c3)c2)o1 ZINC001192264562 1292849336 /nfs/dbraw/zinc/84/93/36/1292849336.db2.gz LTIANYJQIRGELC-UHFFFAOYSA-N -2 3 349.343 2.691 20 10 EFCDHL O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)c1cc(O)c([O-])c(Cl)c1 ZINC001193605855 1293390554 /nfs/dbraw/zinc/39/05/54/1293390554.db2.gz MJBQIWXHMQMHOA-UHFFFAOYSA-N -2 3 345.742 2.895 20 10 EFCDHL O=c1c(OC2CC2)c(-c2ccc(O)cc2)oc2cc([O-])c(O)c([O-])c12 ZINC001234740568 1313188143 /nfs/dbraw/zinc/18/81/43/1313188143.db2.gz YCCZSFZUZHOCDD-UHFFFAOYSA-N -2 3 342.303 2.824 20 10 EFCDHL O=c1c2cc(O)c([O-])cc2oc2cc([O-])cc(OC[C@H]3CCCO3)c12 ZINC001234750133 1313189096 /nfs/dbraw/zinc/18/90/96/1313189096.db2.gz YZCQMOVBIYZFMR-SNVBAGLBSA-N -2 3 344.319 2.621 20 10 EFCDHL COc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1OC ZINC000776750580 1300646616 /nfs/dbraw/zinc/64/66/16/1300646616.db2.gz HYGUHVSKTPKAEB-UHFFFAOYSA-N -2 3 343.788 2.864 20 10 EFCDHL O=C([O-])CCCN1C(=O)/C(=C/c2ccc([O-])c(F)c2)SC1=S ZINC000203050955 1302385807 /nfs/dbraw/zinc/38/58/07/1302385807.db2.gz QHOSXDIXYPWVRA-XFFZJAGNSA-N -2 3 341.385 2.597 20 10 EFCDHL O=S(=O)([N-]c1cc(F)c([O-])cc1Cl)c1cnc2n1CCCC2 ZINC000901963091 1311247331 /nfs/dbraw/zinc/24/73/31/1311247331.db2.gz OZIAHFVAGUEBIV-UHFFFAOYSA-N -2 3 345.783 2.518 20 10 EFCDHL O=C(c1cc(O)c([O-])c(O)c1)c1ccc([O-])c(O)c1OC1CCCC1 ZINC001229785295 1312138720 /nfs/dbraw/zinc/13/87/20/1312138720.db2.gz GUMWRRVVAYPZKR-UHFFFAOYSA-N -2 3 346.335 2.767 20 10 EFCDHL CSc1ccccc1[N-]C(=S)NCC(=O)c1ccc([O-])c(O)c1 ZINC001249712973 1315126197 /nfs/dbraw/zinc/12/61/97/1315126197.db2.gz GHRFRLWFUFJFCN-UHFFFAOYSA-N -2 3 348.449 2.989 20 10 EFCDHL C[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1[O-])c1ccno1 ZINC001251448083 1315349039 /nfs/dbraw/zinc/34/90/39/1315349039.db2.gz UZXSZQWVCXBFLR-LURJTMIESA-N -2 3 337.184 2.727 20 10 EFCDHL O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000315747009 1315438352 /nfs/dbraw/zinc/43/83/52/1315438352.db2.gz YJOMHYAVGCFZRI-UHFFFAOYSA-N -2 3 341.772 2.618 20 10 EFCDHL COc1cc(C)ccc1S(=O)(=O)[N-]c1cc(F)c([O-])c(F)c1 ZINC001259204050 1316219823 /nfs/dbraw/zinc/21/98/23/1316219823.db2.gz AJPZVYLEBUMJHH-UHFFFAOYSA-N -2 3 329.324 2.788 20 10 EFCDHL O=C([O-])CC[C@@H]1Cc2ccccc2N(C(=O)c2cccc(O)c2[O-])C1 ZINC001595024755 951332714 /nfs/dbraw/zinc/33/27/14/951332714.db2.gz LMNNXFOLRNXLQU-GFCCVEGCSA-N -2 3 341.363 2.782 20 10 EFCDHL Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc1Cl ZINC000728149979 978292288 /nfs/dbraw/zinc/29/22/88/978292288.db2.gz ZRYLSLSMFQVFEC-UHFFFAOYSA-N -2 3 341.772 2.853 20 10 EFCDHL CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000790416077 978799289 /nfs/dbraw/zinc/79/92/89/978799289.db2.gz OMWJJKRUSIPAES-UHFFFAOYSA-N -2 3 335.381 2.762 20 10 EFCDHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)c1 ZINC000808113734 978852013 /nfs/dbraw/zinc/85/20/13/978852013.db2.gz HWCKGYFWDLXVEL-UHFFFAOYSA-N -3 3 345.735 2.684 20 10 EFCDHL CCCc1c(C(=O)NCc2c([O-])cccc2F)[nH]c(C)c1C(=O)[O-] ZINC001596042539 983330298 /nfs/dbraw/zinc/33/02/98/983330298.db2.gz XTYODCYFACRIKH-UHFFFAOYSA-N -2 3 334.347 2.749 20 10 EFCDHL CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC001597482618 987979839 /nfs/dbraw/zinc/97/98/39/987979839.db2.gz OPQDLJHRDUAQRH-YHYXMXQVSA-N -2 3 347.392 2.853 20 10 EFCDHL CC(C)(C)c1nc(NC(=O)c2cccc(O)c2[O-])sc1C(=O)[O-] ZINC001590544959 990178002 /nfs/dbraw/zinc/17/80/02/990178002.db2.gz MYBKMFIIZAGCCO-UHFFFAOYSA-N -2 3 336.369 2.802 20 10 EFCDHL Cc1ccc(C(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)c([O-])c1 ZINC001600331185 1094979401 /nfs/dbraw/zinc/97/94/01/1094979401.db2.gz LEOJPUUNRGDOLU-UHFFFAOYSA-N -2 3 349.770 2.787 20 10 EFCDHL Cc1ccc(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)c([O-])c1O ZINC001607734569 1097714044 /nfs/dbraw/zinc/71/40/44/1097714044.db2.gz CQTMRQVNJICZCB-UHFFFAOYSA-N -2 3 336.369 2.937 20 10 EFCDHL Cc1cnc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])s1 ZINC001607906766 1097773876 /nfs/dbraw/zinc/77/38/76/1097773876.db2.gz LSWJTNUTUXSKET-UHFFFAOYSA-N -2 3 326.805 2.897 20 10 EFCDHL O=C([O-])c1nc(CNCc2cc(F)c(F)cc2[O-])ccc1Cl ZINC001608995656 1098103853 /nfs/dbraw/zinc/10/38/53/1098103853.db2.gz HZOKZLUKRLRKQS-UHFFFAOYSA-N -2 3 328.702 2.707 20 10 EFCDHL O=C([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(O)cc1F ZINC001610848184 1098933527 /nfs/dbraw/zinc/93/35/27/1098933527.db2.gz WCMOTOOEUMEIAH-UHFFFAOYSA-N -2 3 345.735 2.684 20 10 EFCDHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)c(C)c1 ZINC000322683902 1106616061 /nfs/dbraw/zinc/61/60/61/1106616061.db2.gz HPXDKJBGTPMEPL-UHFFFAOYSA-N -2 3 335.381 2.762 20 10 EFCDHL CCn1nc(C)c(S(=O)(=O)[N-]c2cc(F)c([O-])cc2Cl)c1C ZINC000901963414 1110035168 /nfs/dbraw/zinc/03/51/68/1110035168.db2.gz SBUAFHRJTZHETI-UHFFFAOYSA-N -2 3 347.799 2.819 20 10 EFCDHL O=C([O-])c1cncc(NCc2cc(Cl)c3cccnc3c2[O-])n1 ZINC001168527431 1119875147 /nfs/dbraw/zinc/87/51/47/1119875147.db2.gz HXKWVJISBQRQIX-UHFFFAOYSA-N -2 3 330.731 2.694 20 10 EFCDHL O=C(c1ccc([O-])cc1)N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000130967904 472641489 /nfs/dbraw/zinc/64/14/89/472641489.db2.gz OXVOPCSODYFYMO-UHFFFAOYSA-N -2 3 346.814 2.709 20 10 EFCDHL O=C([O-])c1cc([N-]S(=O)(=O)c2cccc3c2CCCC3)ccc1O ZINC000757653721 575847559 /nfs/dbraw/zinc/84/75/59/575847559.db2.gz COWPZOZIVOIWMC-UHFFFAOYSA-N -2 3 347.392 2.770 20 10 EFCDHL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc([O-])cc1F ZINC000758169653 575861694 /nfs/dbraw/zinc/86/16/94/575861694.db2.gz WUAOJUPHTIZGID-UHFFFAOYSA-N -2 3 327.381 2.726 20 10 EFCDHL O=C(NCc1cccc(Br)c1[O-])c1cc(F)ccc1[O-] ZINC000765766884 577073964 /nfs/dbraw/zinc/07/39/64/577073964.db2.gz DIIUTBUTBVFZPH-UHFFFAOYSA-N -2 3 340.148 2.929 20 10 EFCDHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)ccc1O ZINC000771220659 581189335 /nfs/dbraw/zinc/18/93/35/581189335.db2.gz YMKVERDYLFEMBE-UHFFFAOYSA-N -2 3 347.392 2.688 20 10 EFCDHL Cc1ncc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])s1 ZINC000738884229 600145252 /nfs/dbraw/zinc/14/52/52/600145252.db2.gz VBJMWRSZZZHAOY-UHFFFAOYSA-N -2 3 326.805 2.897 20 10 EFCDHL Cc1ccc(C(=O)Nc2nc(Br)ccc2[O-])c([O-])c1O ZINC000790046587 1277179741 /nfs/dbraw/zinc/17/97/41/1277179741.db2.gz IFYFPLUYVBJOGQ-UHFFFAOYSA-N -2 3 339.145 2.522 20 10 EFCDHL CCCCn1cc(S(=O)(=O)[N-]c2ccc([O-])c(F)c2F)c(C)n1 ZINC000872373761 1287555768 /nfs/dbraw/zinc/55/57/68/1287555768.db2.gz OYEUMABTVFJCSS-UHFFFAOYSA-N -2 3 345.371 2.776 20 10 EFCDHL O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1ccc2nsnc2c1 ZINC001186263137 1290916724 /nfs/dbraw/zinc/91/67/24/1290916724.db2.gz MOAGMTMZEWYWQT-UHFFFAOYSA-N -2 3 341.801 2.851 20 10 EFCDHL O=S(=O)(Cc1ccc(F)cc1F)[N-]c1cc(F)c([O-])cc1F ZINC001189824979 1291882658 /nfs/dbraw/zinc/88/26/58/1291882658.db2.gz SJEYCNLWNWGHLO-UHFFFAOYSA-N -2 3 335.278 2.891 20 10 EFCDHL CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc([O-])c(F)c2)c1 ZINC001192805855 1293054899 /nfs/dbraw/zinc/05/48/99/1293054899.db2.gz RYICQUOMHACPDM-UHFFFAOYSA-N -2 3 325.361 2.903 20 10 EFCDHL CCOC[C@@H](C)Oc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12 ZINC001234749724 1313188637 /nfs/dbraw/zinc/18/86/37/1313188637.db2.gz VLIMTSJWDUTFTI-SECBINFHSA-N -2 3 346.335 2.867 20 10 EFCDHL CCc1nc(S(=O)(=O)[N-]c2ccc([O-])cc2F)cn1CC1CC1 ZINC000853026991 1299976542 /nfs/dbraw/zinc/97/65/42/1299976542.db2.gz JRRZBIRDBNABIZ-UHFFFAOYSA-N -2 3 339.392 2.501 20 10 EFCDHL COCc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1 ZINC000776750769 1300645588 /nfs/dbraw/zinc/64/55/88/1300645588.db2.gz LAVLIYJJXPSYHE-UHFFFAOYSA-N -2 3 327.789 2.993 20 10 EFCDHL O=C(c1cc(O)c([O-])c(O)c1)c1ccc([O-])c(O)c1O[C@@H]1C=CCC1 ZINC001229791274 1312140569 /nfs/dbraw/zinc/14/05/69/1312140569.db2.gz MKGVIRWNRFYKCC-SNVBAGLBSA-N -2 3 344.319 2.543 20 10 EFCDHL C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1[O-])c1ccno1 ZINC001251448084 1315349142 /nfs/dbraw/zinc/34/91/42/1315349142.db2.gz UZXSZQWVCXBFLR-ZCFIWIBFSA-N -2 3 337.184 2.727 20 10 EFCDHL CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(F)c([O-])c(F)c2)cc1 ZINC001259176721 1316215078 /nfs/dbraw/zinc/21/50/78/1316215078.db2.gz HKURPJQEEWCGID-UHFFFAOYSA-N -2 3 327.308 2.674 20 10 EFCDHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)ccc1F ZINC000317935189 718704498 /nfs/dbraw/zinc/70/44/98/718704498.db2.gz MOZACVUOHQUDOD-UHFFFAOYSA-N -3 3 345.735 2.684 20 10 EFCDHL C[C@H]1CC[C@@](NC(=O)c2cccc(O)c2[O-])(C(=O)[O-])c2ccccc21 ZINC001594323003 999245448 /nfs/dbraw/zinc/24/54/48/999245448.db2.gz PSTAZEBZUPUHLU-WLRWDXFRSA-N -2 3 341.363 2.705 20 10 EFCDHL Cn1cc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c(C2CC2)n1 ZINC001600950063 1095442302 /nfs/dbraw/zinc/44/23/02/1095442302.db2.gz JOOBZHBYARLRBY-UHFFFAOYSA-N -2 3 349.818 2.743 20 10 EFCDHL O=C([O-])CCOc1ccc(NC(=O)NCc2c([O-])cccc2F)cc1 ZINC001602026354 1096024403 /nfs/dbraw/zinc/02/44/03/1096024403.db2.gz KHVXAQBEBJULIS-UHFFFAOYSA-N -2 3 348.330 2.707 20 10 EFCDHL O=C([O-])CN(Cc1ccc(Cl)nn1)Cc1cc(Cl)ccc1[O-] ZINC001602059786 1096047236 /nfs/dbraw/zinc/04/72/36/1096047236.db2.gz WCTSBWFYVKKZKY-UHFFFAOYSA-N -2 3 342.182 2.576 20 10 EFCDHL O=C([O-])[C@@H](NCc1cc(F)c(F)cc1[O-])c1cc(F)ccc1F ZINC001608548920 1097949809 /nfs/dbraw/zinc/94/98/09/1097949809.db2.gz VFQVTGAYLNYDGZ-AWEZNQCLSA-N -2 3 329.249 2.864 20 10 EFCDHL O=C([O-])Cc1c2ccccc2[nH]c1C(=O)NCc1c([O-])cccc1F ZINC001608775371 1098017529 /nfs/dbraw/zinc/01/75/29/1098017529.db2.gz GRAKATNNCIPLEM-UHFFFAOYSA-N -2 3 342.326 2.570 20 10 EFCDHL CC(C)(NCc1cc(Cl)cc(F)c1[O-])c1cc(C(=O)[O-])on1 ZINC001609680800 1098425477 /nfs/dbraw/zinc/42/54/77/1098425477.db2.gz OHBBLEQMRQLXCR-UHFFFAOYSA-N -2 3 328.727 2.896 20 10 EFCDHL COc1cncc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1 ZINC001610369501 1098644516 /nfs/dbraw/zinc/64/45/16/1098644516.db2.gz VKNOVJZSAHYIOL-UHFFFAOYSA-N -2 3 336.775 2.536 20 10 EFCDHL O=C([O-])C[C@@H]1CSCCN1Cc1cccc(Br)c1[O-] ZINC001610765862 1098874116 /nfs/dbraw/zinc/87/41/16/1098874116.db2.gz HRVNMGKMBGOVJA-SNVBAGLBSA-N -2 3 346.246 2.547 20 10 EFCDHL O=C(c1ccc([O-])cc1)N1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000179754359 473718408 /nfs/dbraw/zinc/71/84/08/473718408.db2.gz WSIONAZLTFKKQI-UHFFFAOYSA-N -2 3 346.814 2.709 20 10 EFCDHL COCc1cccc(S(=O)(=O)[N-]c2ccc([O-])cc2C(C)=O)c1 ZINC000408514094 476956578 /nfs/dbraw/zinc/95/65/78/476956578.db2.gz PSLXNFFJVXNTKT-UHFFFAOYSA-N -2 3 335.381 2.542 20 10 EFCDHL CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc([O-])cc2C(C)=O)c1 ZINC000758772604 575877275 /nfs/dbraw/zinc/87/72/75/575877275.db2.gz AARQMSFUHWRIMI-UHFFFAOYSA-N -2 3 333.365 2.598 20 10 EFCDHL COCc1ccc(S(=O)(=O)[N-]c2ccc([O-])cc2C(C)=O)cc1 ZINC000766047477 577101333 /nfs/dbraw/zinc/10/13/33/577101333.db2.gz JUPCTCHLBFFNTM-UHFFFAOYSA-N -2 3 335.381 2.542 20 10 EFCDHL O=S(=O)([N-]Cc1cccc(Br)c1[O-])c1cccs1 ZINC000766201404 577120478 /nfs/dbraw/zinc/12/04/78/577120478.db2.gz SPNCJOWMJLCMRK-UHFFFAOYSA-N -2 3 348.243 2.695 20 10 EFCDHL CC(=O)c1cc(F)cc(CN2Cc3ccc(C(=O)[O-])cc3C2)c1[O-] ZINC000825946859 601151087 /nfs/dbraw/zinc/15/10/87/601151087.db2.gz TXBUSGDBMCWBNW-UHFFFAOYSA-N -2 3 329.327 2.948 20 10 EFCDHL CC(=O)c1cc(Cl)cc(CN2CCSC[C@@H]2CC(=O)[O-])c1[O-] ZINC000825946649 601887489 /nfs/dbraw/zinc/88/74/89/601887489.db2.gz JHWTZLODJDZELW-LBPRGKRZSA-N -2 3 343.832 2.640 20 10 EFCDHL CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1 ZINC000821192091 1277465193 /nfs/dbraw/zinc/46/51/93/1277465193.db2.gz ROTRZABCYJCALQ-GFCCVEGCSA-N -2 3 335.809 2.519 20 10 EFCDHL CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000790411899 1277522489 /nfs/dbraw/zinc/52/24/89/1277522489.db2.gz ULKQVIHYVMWWNR-UHFFFAOYSA-N -2 3 339.344 2.593 20 10 EFCDHL COc1cccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)c1 ZINC000808113919 1281539797 /nfs/dbraw/zinc/53/97/97/1281539797.db2.gz LZSYZGPWIDOGCR-UHFFFAOYSA-N -2 3 331.752 2.994 20 10 EFCDHL O=S(=O)([N-]c1cc(Cl)c([O-])cc1F)c1ccc2c(c1)CCO2 ZINC000808113901 1281540602 /nfs/dbraw/zinc/54/06/02/1281540602.db2.gz LHAAQUBAGYGLLN-UHFFFAOYSA-N -2 3 343.763 2.920 20 10 EFCDHL O=c1c2cc(O)c([O-])cc2oc2cc([O-])cc(OC[C@@H]3CCCO3)c12 ZINC001234750132 1313189033 /nfs/dbraw/zinc/18/90/33/1313189033.db2.gz YZCQMOVBIYZFMR-JTQLQIEISA-N -2 3 344.319 2.621 20 10 EFCDHL Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2N)cc(Cl)c1[O-] ZINC001216087562 1314910118 /nfs/dbraw/zinc/91/01/18/1314910118.db2.gz ROIPXPUPBXJQKY-UHFFFAOYSA-N -2 3 330.768 2.876 20 10 EFCDHL Cc1ccc(N)cc1S(=O)(=O)[N-]c1cc(Cl)c([O-])cc1F ZINC001250022360 1315167964 /nfs/dbraw/zinc/16/79/64/1315167964.db2.gz KMURSNGVTDXYPX-UHFFFAOYSA-N -2 3 330.768 2.876 20 10 EFCDHL Nc1cc(F)ccc1S(=O)(=O)[N-]c1cc(Cl)c([O-])cc1F ZINC001250025050 1315168499 /nfs/dbraw/zinc/16/84/99/1315168499.db2.gz ARHKGOVETPEXNF-UHFFFAOYSA-N -2 3 334.731 2.707 20 10 EFCDHL O=S(=O)(CCc1cccc(F)c1)[N-]c1cc(F)c([O-])cc1F ZINC001259775089 1316276635 /nfs/dbraw/zinc/27/66/35/1316276635.db2.gz YUCJBKBYNQWVRT-UHFFFAOYSA-N -2 3 331.315 2.794 20 10 EFCDHL O=S(=O)([N-]c1cc([O-])c(Cl)cc1F)c1cccc2nonc21 ZINC001260440781 1316338650 /nfs/dbraw/zinc/33/86/50/1316338650.db2.gz LSRNZIRTFYACAF-UHFFFAOYSA-N -2 3 343.723 2.522 20 10 EFCDHL COc1ccc(S(=O)(=O)[N-]c2cc(F)c([O-])cc2F)cc1C ZINC001260638684 1316352170 /nfs/dbraw/zinc/35/21/70/1316352170.db2.gz XNQJSKWJYDUZEO-UHFFFAOYSA-N -2 3 329.324 2.788 20 10 EFCDHL CCCc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc1 ZINC000013464030 957093846 /nfs/dbraw/zinc/09/38/46/957093846.db2.gz RTQVOTQKMVBTCI-UHFFFAOYSA-N -2 3 335.381 2.844 20 10 EFCDHL Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793394945 978806247 /nfs/dbraw/zinc/80/62/47/978806247.db2.gz QOQFITKUWVJPDH-UHFFFAOYSA-N -2 3 339.344 2.647 20 10 EFCDHL [O-]c1c(F)cc(Cl)cc1CNc1n[nH]c(C2CC2)c1-c1nnn[n-]1 ZINC001593539283 1094350580 /nfs/dbraw/zinc/35/05/80/1094350580.db2.gz YCALQPMFASRIEA-UHFFFAOYSA-N -2 3 349.757 2.577 20 10 EFCDHL O=C([O-])[C@]1(C(F)(F)F)CCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001601707921 1095856598 /nfs/dbraw/zinc/85/65/98/1095856598.db2.gz WHKGFABAFAWDEE-LBPRGKRZSA-N -2 3 325.233 2.509 20 10 EFCDHL O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)c1cccc(O)c1[O-] ZINC001602174678 1096102664 /nfs/dbraw/zinc/10/26/64/1096102664.db2.gz NXZPHIWZNLNIEL-KBPBESRZSA-N -2 3 327.336 2.528 20 10 EFCDHL O=C([O-])c1cc(Br)oc1CNCc1c([O-])cccc1F ZINC001602241665 1096134317 /nfs/dbraw/zinc/13/43/17/1096134317.db2.gz UEQOHTNXBKBPFQ-UHFFFAOYSA-N -2 3 344.136 2.875 20 10 EFCDHL O=C([O-])c1cc(C2CCN(Cc3ccc(F)c(F)c3[O-])CC2)no1 ZINC001602252524 1096139400 /nfs/dbraw/zinc/13/94/00/1096139400.db2.gz IOXBYXSXHMXJMP-UHFFFAOYSA-N -2 3 338.310 2.736 20 10 EFCDHL O=C([O-])c1cc(C2CCN(Cc3cc(F)cc(F)c3[O-])CC2)no1 ZINC001602252149 1096139672 /nfs/dbraw/zinc/13/96/72/1096139672.db2.gz AAAQBMUOMXFMQC-UHFFFAOYSA-N -2 3 338.310 2.736 20 10 EFCDHL O=C([O-])CCc1ccc(NC(=O)NCc2c([O-])cccc2F)cc1 ZINC001608738584 1098005439 /nfs/dbraw/zinc/00/54/39/1098005439.db2.gz XPJMWLCABFMQLD-UHFFFAOYSA-N -2 3 332.331 2.870 20 10 EFCDHL Cc1ncc(S(=O)(=O)[N-]c2ccc([O-])c(COC(C)C)c2)s1 ZINC000290447833 474572031 /nfs/dbraw/zinc/57/20/31/474572031.db2.gz CRPYUVSBMWTCHO-UHFFFAOYSA-N -2 3 342.442 2.883 20 10 EFCDHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc([O-])cc2F)cc1[N+](=O)[O-] ZINC000755018869 575530856 /nfs/dbraw/zinc/53/08/56/575530856.db2.gz INCODURCYGRZPP-UHFFFAOYSA-N -2 3 340.332 2.857 20 10 EFCDHL CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000758782783 575877456 /nfs/dbraw/zinc/87/74/56/575877456.db2.gz YPQLWKAWNAVOBX-UHFFFAOYSA-N -2 3 327.308 2.674 20 10 EFCDHL CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000766047682 577101307 /nfs/dbraw/zinc/10/13/07/577101307.db2.gz QGKJVYUDYYBJDZ-UHFFFAOYSA-N -2 3 342.376 2.944 20 10 EFCDHL CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000766048494 577101784 /nfs/dbraw/zinc/10/17/84/577101784.db2.gz UDWRGCFZFUJLDX-SNVBAGLBSA-N -2 3 347.392 2.719 20 10 EFCDHL CC(C)c1nnc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])o1 ZINC000736533288 600144416 /nfs/dbraw/zinc/14/44/16/600144416.db2.gz WMLLPAMKTAGUMB-UHFFFAOYSA-N -2 3 339.779 2.639 20 10 EFCDHL O=S(=O)(Cc1ccc(F)c(F)c1)[N-]c1cc(F)c([O-])cc1F ZINC001189317894 1291670896 /nfs/dbraw/zinc/67/08/96/1291670896.db2.gz NSOZLYZPCGTFLD-UHFFFAOYSA-N -2 3 335.278 2.891 20 10 EFCDHL COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2Cl)cn1 ZINC001195723415 1294012499 /nfs/dbraw/zinc/01/24/99/1294012499.db2.gz QKUIRKOIQOQHMJ-UHFFFAOYSA-N -2 3 349.195 2.903 20 10 EFCDHL COc1cc(C)ccc1S(=O)(=O)[N-]c1cc(F)c([O-])cc1F ZINC001259205455 1316220151 /nfs/dbraw/zinc/22/01/51/1316220151.db2.gz UBWXWAVBQPYSAZ-UHFFFAOYSA-N -2 3 329.324 2.788 20 10 EFCDHL O=S(=O)(CCc1ccccc1F)[N-]c1cc(F)c([O-])cc1F ZINC001259786768 1316278275 /nfs/dbraw/zinc/27/82/75/1316278275.db2.gz OCLOKAXOPQIDQD-UHFFFAOYSA-N -2 3 331.315 2.794 20 10 EFCDHL O=S(=O)([N-]c1cccc([O-])c1Cl)c1cccc2nsnc21 ZINC001260388095 1316336673 /nfs/dbraw/zinc/33/66/73/1316336673.db2.gz QRWMBALSWQOEOG-UHFFFAOYSA-N -2 3 341.801 2.851 20 10 EFCDHL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cc(Cl)c([O-])cc1Cl ZINC001261029347 1316385768 /nfs/dbraw/zinc/38/57/68/1316385768.db2.gz LXYXRTAJJIGKGX-UHFFFAOYSA-N -2 3 336.200 2.840 20 10 EFCDHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)ccc1O ZINC000013464105 719010395 /nfs/dbraw/zinc/01/03/95/719010395.db2.gz XGXFMFVTULUYFC-UHFFFAOYSA-N -2 3 345.735 2.684 20 10 EFCDHL O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000013464009 719010662 /nfs/dbraw/zinc/01/06/62/719010662.db2.gz MSCBICIBLOQYPX-UHFFFAOYSA-N -2 3 345.735 2.684 20 10 EFCDHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1 ZINC000320682542 724659712 /nfs/dbraw/zinc/65/97/12/724659712.db2.gz LNQLQYDXGPJNQM-UHFFFAOYSA-N -3 3 341.772 2.853 20 10 EFCDHL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3ccc(O)cc3)c1)CCCC2 ZINC000917716144 728777174 /nfs/dbraw/zinc/77/71/74/728777174.db2.gz QSQCBKJKCGIKOT-UHFFFAOYSA-N -2 3 347.392 2.770 20 10 EFCDHL Cc1cc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)ccc1O ZINC000391071447 972315282 /nfs/dbraw/zinc/31/52/82/972315282.db2.gz LJYAZMUSVYSHOL-WTKPLQERSA-N -2 3 333.365 2.599 20 10 EFCDHL CC(C)n1cncc1CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001592145832 977005930 /nfs/dbraw/zinc/00/59/30/977005930.db2.gz WNZNNVARHOIRGA-UHFFFAOYSA-N -2 3 337.807 2.910 20 10 EFCDHL CC(C)(C(=O)[O-])[C@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC001589599352 987421950 /nfs/dbraw/zinc/42/19/50/987421950.db2.gz UVYQPWHUJAVBOB-OAHLLOKOSA-N -2 3 329.352 2.680 20 10 EFCDHL CCc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001597487899 987995430 /nfs/dbraw/zinc/99/54/30/987995430.db2.gz RYEIEXTZNPZILT-UHFFFAOYSA-N -2 3 335.381 2.762 20 10 EFCDHL COC(=O)CN(CCC(C)(C)C(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001598862240 996683957 /nfs/dbraw/zinc/68/39/57/996683957.db2.gz JHQKLWUUGPMDPW-UHFFFAOYSA-N -2 3 343.807 2.522 20 10 EFCDHL COc1ccc(C(=O)[O-])c2c1CN(Cc1cccc(F)c1[O-])CC2 ZINC001599501604 997131769 /nfs/dbraw/zinc/13/17/69/997131769.db2.gz MVGHQRFGUHIHHP-UHFFFAOYSA-N -2 3 331.343 2.796 20 10 EFCDHL Cn1c(Cl)ncc1CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001600912764 1095424888 /nfs/dbraw/zinc/42/48/88/1095424888.db2.gz CRZWTOQDQACOQH-UHFFFAOYSA-N -2 3 344.198 2.519 20 10 EFCDHL O=C([O-])[C@]1(C(F)(F)F)CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001601706732 1095850832 /nfs/dbraw/zinc/85/08/32/1095850832.db2.gz BZBQCUPRKWFNJV-LBPRGKRZSA-N -2 3 325.233 2.509 20 10 EFCDHL O=C([O-])CCCN(Cc1ccccc1)C(=O)c1cccc(O)c1[O-] ZINC001601989311 1096009962 /nfs/dbraw/zinc/00/99/62/1096009962.db2.gz RUMVSQHIAQWIJQ-UHFFFAOYSA-N -2 3 329.352 2.605 20 10 EFCDHL O=C([O-])CN(Cc1ncc(C2CC2)o1)Cc1cc(Cl)ccc1[O-] ZINC001602060275 1096048009 /nfs/dbraw/zinc/04/80/09/1096048009.db2.gz FNDPGIYDYYUGTJ-UHFFFAOYSA-N -2 3 336.775 2.998 20 10 EFCDHL O=C([O-])CN(Cc1cc(Cl)ccc1[O-])Cc1cc(F)ncc1F ZINC001608746608 1098008903 /nfs/dbraw/zinc/00/89/03/1098008903.db2.gz CCKYCWAFKLAXTM-UHFFFAOYSA-N -2 3 342.729 2.806 20 10 EFCDHL O=C([O-])[C@H]1C[C@@H](C(F)(F)F)CN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001608822993 1098034014 /nfs/dbraw/zinc/03/40/14/1098034014.db2.gz RCUWXORIQGZYKB-DTWKUNHWSA-N -2 3 339.260 2.755 20 10 EFCDHL [O-]c1c(Cl)cc(Cl)cc1CNc1cccnc1-c1nnn[n-]1 ZINC001609611268 1098399676 /nfs/dbraw/zinc/39/96/76/1098399676.db2.gz UEVNIDMQXPFNRB-UHFFFAOYSA-N -2 3 337.170 2.886 20 10 EFCDHL [O-]c1c(Cl)cc(Cl)cc1CNc1cccnc1-c1nn[n-]n1 ZINC001609611268 1098399682 /nfs/dbraw/zinc/39/96/82/1098399682.db2.gz UEVNIDMQXPFNRB-UHFFFAOYSA-N -2 3 337.170 2.886 20 10 EFCDHL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1 ZINC001610832943 1098922122 /nfs/dbraw/zinc/92/21/22/1098922122.db2.gz QXSPLRRMGRYEAC-UHFFFAOYSA-N -3 3 345.735 2.684 20 10 EFCDHL Cc1nc(CNCc2c([O-])ccc(Cl)c2F)sc1C(=O)[O-] ZINC000756300186 575713506 /nfs/dbraw/zinc/71/35/06/575713506.db2.gz JOJWVSDBTMNBET-UHFFFAOYSA-N -2 3 330.768 2.938 20 10 EFCDHL CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000758773935 575877348 /nfs/dbraw/zinc/87/73/48/575877348.db2.gz JZXADGUUJKMAQZ-UHFFFAOYSA-N -2 3 327.308 2.674 20 10 EFCDHL CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000766048843 577101762 /nfs/dbraw/zinc/10/17/62/577101762.db2.gz WWDHKTVLIZXNOF-UHFFFAOYSA-N -2 3 345.298 2.813 20 10 EFCDHL CC(C)c1nc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])no1 ZINC000736526569 600144160 /nfs/dbraw/zinc/14/41/60/600144160.db2.gz YEOJYILUOLQIQZ-UHFFFAOYSA-N -2 3 339.779 2.639 20 10 EFCDHL Cc1nc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cs1 ZINC000738854705 600262259 /nfs/dbraw/zinc/26/22/59/600262259.db2.gz IBXFXXAVRRUFEQ-UHFFFAOYSA-N -2 3 326.805 2.897 20 10 EFCDHL CC(=O)c1cc(Cl)cc(CN2CCC(CC(=O)[O-])CC2)c1[O-] ZINC000825946724 601413043 /nfs/dbraw/zinc/41/30/43/601413043.db2.gz NRHACMVPRSGEOS-UHFFFAOYSA-N -2 3 325.792 2.935 20 10 EFCDHL Cc1csc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])n1 ZINC000832989649 602042066 /nfs/dbraw/zinc/04/20/66/602042066.db2.gz QQFHGLVUSYWQLP-UHFFFAOYSA-N -2 3 326.805 2.897 20 10 EFCDHL Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC000833746487 605169567 /nfs/dbraw/zinc/16/95/67/605169567.db2.gz ASFWXNJGGPBHIN-UHFFFAOYSA-N -2 3 341.772 2.853 20 10 EFCDHL O=S(=O)([N-]c1cc(Cl)c([O-])cc1F)c1ccc2c(c1)OCO2 ZINC000808115644 1281541918 /nfs/dbraw/zinc/54/19/18/1281541918.db2.gz MOFOBZLJDXGZJI-UHFFFAOYSA-N -2 3 345.735 2.714 20 10 EFCDHL Cc1ccc(S(=O)(=O)[N-]c2c(C)cc(O)cc2C)cc1C(=O)[O-] ZINC001184698387 1290495524 /nfs/dbraw/zinc/49/55/24/1290495524.db2.gz GJZZEFGDBBIDJQ-UHFFFAOYSA-N -2 3 335.381 2.816 20 10 EFCDHL COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc([O-])c(F)c2)c1 ZINC001189605888 1291780267 /nfs/dbraw/zinc/78/02/67/1291780267.db2.gz FRPQLSBDFPFUGA-UHFFFAOYSA-N -2 3 331.752 2.994 20 10 EFCDHL O=S(=O)(C[C@H]1CCCO1)[N-]c1cc(Cl)c([O-])cc1Cl ZINC001193263784 1293220934 /nfs/dbraw/zinc/22/09/34/1293220934.db2.gz IEYXROOOODRPCU-SSDOTTSWSA-N -2 3 326.201 2.620 20 10 EFCDHL CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cc(F)c([O-])cc1Cl ZINC000901962900 1311246577 /nfs/dbraw/zinc/24/65/77/1311246577.db2.gz NJXBTLQFNCPGPY-SECBINFHSA-N -2 3 339.816 2.988 20 10 EFCDHL CO[C@@H](CS(=O)(=O)[N-]c1cc(F)c([O-])cc1Cl)C(C)C ZINC000901962402 1311246810 /nfs/dbraw/zinc/24/68/10/1311246810.db2.gz HBEFIMANVUHNNF-LBPRGKRZSA-N -2 3 325.789 2.597 20 10 EFCDHL Cn1nc(C2CC2)cc1S(=O)(=O)[N-]c1cc(F)c([O-])cc1Cl ZINC000901963596 1311247662 /nfs/dbraw/zinc/24/76/62/1311247662.db2.gz VTBLLPQDKJXSGX-UHFFFAOYSA-N -2 3 345.783 2.596 20 10 EFCDHL O=c1c2ccc([O-])cc2oc(-c2cc(O)c([O-])c(O)c2)c1OC1CC1 ZINC001227651728 1311836527 /nfs/dbraw/zinc/83/65/27/1311836527.db2.gz VSGCFBILZVZXBR-UHFFFAOYSA-N -2 3 342.303 2.824 20 10 EFCDHL Cc1ccc(S(=O)(=O)[N-]c2cc(F)c([O-])c(Cl)c2)cc1N ZINC001214488908 1314698639 /nfs/dbraw/zinc/69/86/39/1314698639.db2.gz PVCUBTACSVRLPO-UHFFFAOYSA-N -2 3 330.768 2.876 20 10 EFCDHL COc1ccc(N)cc1S(=O)(=O)[N-]c1cc(C)c([O-])c(Cl)c1 ZINC001216087673 1314910632 /nfs/dbraw/zinc/91/06/32/1314910632.db2.gz GJXIJBOKZYJGTA-UHFFFAOYSA-N -2 3 342.804 2.746 20 10 EFCDHL O=S(=O)([N-]c1ccc([O-])c(F)c1)c1cccc(OC(F)F)c1 ZINC001259444940 1316244034 /nfs/dbraw/zinc/24/40/34/1316244034.db2.gz NGNGEAFBXNDTDS-UHFFFAOYSA-N -2 3 333.287 2.934 20 10 EFCDHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1F ZINC000319558157 721061773 /nfs/dbraw/zinc/06/17/73/721061773.db2.gz PLWDGRPAUQULTB-UHFFFAOYSA-N -3 3 345.735 2.684 20 10 EFCDHL O=C([O-])c1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000013464050 957093584 /nfs/dbraw/zinc/09/35/84/957093584.db2.gz MLLAGQJWPXTMDR-UHFFFAOYSA-N -2 3 347.392 2.770 20 10 EFCDHL CC(=O)c1cc(F)cc(CN[C@H](C)c2ncc(C(=O)[O-])s2)c1[O-] ZINC001589270598 985963067 /nfs/dbraw/zinc/96/30/67/985963067.db2.gz CRVJICZRFLYLFV-SSDOTTSWSA-N -2 3 338.360 2.739 20 10 EFCDHL CC(C)(C(=O)[O-])[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC001589599351 987421887 /nfs/dbraw/zinc/42/18/87/987421887.db2.gz UVYQPWHUJAVBOB-HNNXBMFYSA-N -2 3 329.352 2.680 20 10 EFCDHL COc1c(NC(=O)NCc2c([O-])cccc2F)cccc1C(=O)[O-] ZINC001599339195 997893716 /nfs/dbraw/zinc/89/37/16/997893716.db2.gz KHYSITHSAZFUPO-UHFFFAOYSA-N -2 3 334.303 2.560 20 10 EFCDHL C[C@@H]1CC[C@](NC(=O)c2cccc(O)c2[O-])(C(=O)[O-])c2ccccc21 ZINC001594323000 999245472 /nfs/dbraw/zinc/24/54/72/999245472.db2.gz PSTAZEBZUPUHLU-NSPYISDASA-N -2 3 341.363 2.705 20 10 EFCDHL Cc1ccc(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)c([O-])c1O ZINC001600343157 1094986603 /nfs/dbraw/zinc/98/66/03/1094986603.db2.gz XAHFYSPSQVMAGV-UHFFFAOYSA-N -2 3 338.319 2.905 20 10 EFCDHL O=C([O-])c1nc(CNCc2cc(F)cc(F)c2[O-])ccc1Cl ZINC001602569436 1096303710 /nfs/dbraw/zinc/30/37/10/1096303710.db2.gz WQRIQLZKMYJRCF-UHFFFAOYSA-N -2 3 328.702 2.707 20 10 EFCDHL O=C([O-])[C@@H]1CN(Cc2cc(F)c(F)cc2[O-])c2ccc(F)cc2O1 ZINC001608645319 1097975296 /nfs/dbraw/zinc/97/52/96/1097975296.db2.gz OWBALDRWRFWCRS-HNNXBMFYSA-N -2 3 339.269 2.662 20 10 EFCDHL O=C([O-])CN(Cc1ccc2nonc2c1)Cc1cc(Cl)ccc1[O-] ZINC001608747880 1098010043 /nfs/dbraw/zinc/01/00/43/1098010043.db2.gz PVHOKKBCGGPLPK-UHFFFAOYSA-N -2 3 347.758 2.669 20 10 EFCDHL O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001608812421 1098030010 /nfs/dbraw/zinc/03/00/10/1098030010.db2.gz RCUWXORIQGZYKB-BDAKNGLRSA-N -2 3 339.260 2.755 20 10 EFCDHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cc(Cl)c([O-])cc1F ZINC001610853974 1098938986 /nfs/dbraw/zinc/93/89/86/1098938986.db2.gz XPNCANGSLSBUAF-UHFFFAOYSA-N -3 3 345.735 2.684 20 10 EFCDHL CC(=O)c1cc(F)cc(CN2CCc3occc3[C@H]2C(=O)[O-])c1[O-] ZINC000530171603 317069180 /nfs/dbraw/zinc/06/91/80/317069180.db2.gz XQWAEICIPRBCPP-HNNXBMFYSA-N -2 3 333.315 2.511 20 10 EFCDHL O=C([N-]Cc1cccc(Br)c1[O-])C(F)(F)C(F)F ZINC000277513520 474589208 /nfs/dbraw/zinc/58/92/08/474589208.db2.gz LDEUANOVKPZHCP-UHFFFAOYSA-N -2 3 330.075 2.671 20 10 EFCDHL Cc1cc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)cc(C)c1F ZINC000757658265 575847976 /nfs/dbraw/zinc/84/79/76/575847976.db2.gz YHQIQIGCOYHBCQ-UHFFFAOYSA-N -2 3 339.344 2.647 20 10 EFCDHL CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc([O-])cc2F)c1 ZINC000758169630 575861709 /nfs/dbraw/zinc/86/17/09/575861709.db2.gz VMMFZIUIEOINHG-UHFFFAOYSA-N -2 3 339.344 2.509 20 10 EFCDHL Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc([O-])cc2F)c1 ZINC000758169408 575861728 /nfs/dbraw/zinc/86/17/28/575861728.db2.gz SCFCZRVJBIFUBB-UHFFFAOYSA-N -2 3 340.332 2.857 20 10 EFCDHL Cc1cc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc(C(=O)[O-])c1C ZINC000760359435 576011540 /nfs/dbraw/zinc/01/15/40/576011540.db2.gz BBVOLMBMOVIGRO-UHFFFAOYSA-N -2 3 335.381 2.816 20 10 EFCDHL CC(C)n1ccnc1CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000736531850 600313644 /nfs/dbraw/zinc/31/36/44/600313644.db2.gz JXNHASUEQLGLCR-UHFFFAOYSA-N -2 3 337.807 2.910 20 10 EFCDHL O=C([O-])COc1ccc(NC(=O)c2cc([O-])cs2)cc1Cl ZINC000833258242 604942740 /nfs/dbraw/zinc/94/27/40/604942740.db2.gz IOLBRXDWUNEKLZ-UHFFFAOYSA-N -2 3 327.745 2.823 20 10 EFCDHL O=S(=O)([N-]c1ccc([O-])c(F)c1F)c1cnn(C2CCCC2)c1 ZINC000872373559 1287555829 /nfs/dbraw/zinc/55/58/29/1287555829.db2.gz JYASVFLQMDBOMU-UHFFFAOYSA-N -2 3 343.355 2.783 20 10 EFCDHL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1 ZINC000126121665 1290996438 /nfs/dbraw/zinc/99/64/38/1290996438.db2.gz UKYPLSWEVDKLNE-UHFFFAOYSA-N -2 3 340.788 2.805 20 10 EFCDHL O=S(=O)(Cc1noc2ccccc21)[N-]c1c(F)cc([O-])cc1F ZINC001194101203 1293531695 /nfs/dbraw/zinc/53/16/95/1293531695.db2.gz WYEFRYXEHAZMJT-UHFFFAOYSA-N -2 3 340.307 2.754 20 10 EFCDHL COCc1ccccc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1 ZINC000778568445 1297688714 /nfs/dbraw/zinc/68/87/14/1297688714.db2.gz VINFDFDKOVBGSB-UHFFFAOYSA-N -2 3 327.789 2.993 20 10 EFCDHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(O)cc2)cc(Cl)c1F ZINC000776744053 1300579221 /nfs/dbraw/zinc/57/92/21/1300579221.db2.gz DJZSPLHZCJAIML-UHFFFAOYSA-N -2 3 345.735 2.684 20 10 EFCDHL Cc1cc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc(C(=O)[O-])c1C ZINC000776748049 1300613256 /nfs/dbraw/zinc/61/32/56/1300613256.db2.gz TXKVOSOWFZRXRS-UHFFFAOYSA-N -2 3 335.381 2.816 20 10 EFCDHL Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1)OCO2 ZINC000794872982 1303430809 /nfs/dbraw/zinc/43/08/09/1303430809.db2.gz NWXSVFKWQMDJAB-UHFFFAOYSA-N -2 3 341.772 2.884 20 10 EFCDHL CC(C)[C@@H](C)Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229787287 1312139208 /nfs/dbraw/zinc/13/92/08/1312139208.db2.gz ULCCEEFDUCTNKH-SECBINFHSA-N -2 3 348.351 2.869 20 10 EFCDHL O=C1c2cccc([O-])c2C(=O)c2c([O-])cc(-c3nnc(C4CC4)o3)cc21 ZINC001254055017 1315669907 /nfs/dbraw/zinc/66/99/07/1315669907.db2.gz XNAGMSACJGYZDA-UHFFFAOYSA-N -2 3 348.314 2.801 20 10 EFCDHL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc([O-])c(F)c1 ZINC001258936357 1316194030 /nfs/dbraw/zinc/19/40/30/1316194030.db2.gz FCRQRGUQYPGNRU-UHFFFAOYSA-N -2 3 331.752 2.994 20 10 EFCDHL CC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1 ZINC001260811023 1316370853 /nfs/dbraw/zinc/37/08/53/1316370853.db2.gz ZXSWSMJCNMQVFT-UHFFFAOYSA-N -2 3 340.788 2.805 20 10 EFCDHL Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)c(C)c1C(=O)[O-] ZINC000753779852 1324795278 /nfs/dbraw/zinc/79/52/78/1324795278.db2.gz NNAHDJDJEROJRT-UHFFFAOYSA-N -2 3 335.381 2.816 20 10 EFCDHL [O-]c1c(Br)cccc1CNc1cccc(-c2nn[n-]n2)c1 ZINC000048796556 1424813351 /nfs/dbraw/zinc/81/33/51/1424813351.db2.gz KVQQAOIGUKTDJA-UHFFFAOYSA-N -2 3 346.188 2.947 20 10 EFCDHL [O-]c1c(Br)cccc1CNc1cccc(-c2nnn[n-]2)c1 ZINC000048796556 1424813360 /nfs/dbraw/zinc/81/33/60/1424813360.db2.gz KVQQAOIGUKTDJA-UHFFFAOYSA-N -2 3 346.188 2.947 20 10 EFCDHL Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc([O-])cc2F)c1[N+](=O)[O-] ZINC000189322250 720599933 /nfs/dbraw/zinc/59/99/33/720599933.db2.gz QGAJIOWBQFCTAL-UHFFFAOYSA-N -2 3 340.332 2.857 20 10 EFCDHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2)c(C)c1CC(=O)[O-] ZINC000326332698 727271597 /nfs/dbraw/zinc/27/15/97/727271597.db2.gz HNFFJOIHVOMHNJ-UHFFFAOYSA-N -2 3 349.408 2.745 20 10 EFCDHL O=C([O-])CC[C@H]1Cc2ccccc2N(C(=O)c2cccc(O)c2[O-])C1 ZINC001595024756 951332821 /nfs/dbraw/zinc/33/28/21/951332821.db2.gz LMNNXFOLRNXLQU-LBPRGKRZSA-N -2 3 341.363 2.782 20 10 EFCDHL O=C([O-])[C@H]1C[C@@H](NC(=O)NCc2c([O-])cccc2F)c2ccccc21 ZINC001594766419 953535019 /nfs/dbraw/zinc/53/50/19/953535019.db2.gz YDILDFSEKVUPMI-SWLSCSKDSA-N -2 3 344.342 2.644 20 10 EFCDHL O=C([O-])[C@@H]1CCCN(c2ccc(CNCc3c([O-])cccc3F)o2)C1 ZINC001594915932 954750563 /nfs/dbraw/zinc/75/05/63/954750563.db2.gz IFKBEOBNOCRAJB-GFCCVEGCSA-N -2 3 348.374 2.715 20 10 EFCDHL Cc1cc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)ccc1O ZINC000391071445 972315643 /nfs/dbraw/zinc/31/56/43/972315643.db2.gz LJYAZMUSVYSHOL-RUDMXATFSA-N -2 3 333.365 2.599 20 10 EFCDHL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1 ZINC000776751892 978775086 /nfs/dbraw/zinc/77/50/86/978775086.db2.gz WPYDCFWTQWELQP-UHFFFAOYSA-N -3 3 345.735 2.684 20 10 EFCDHL CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC001597482463 987978638 /nfs/dbraw/zinc/97/86/38/987978638.db2.gz HXMAPKWCFGJSDJ-UHFFFAOYSA-N -2 3 339.344 2.593 20 10 EFCDHL CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC001597482617 987979634 /nfs/dbraw/zinc/97/96/34/987979634.db2.gz OPQDLJHRDUAQRH-BJMVGYQFSA-N -2 3 347.392 2.853 20 10 EFCDHL CCn1cc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c(C)n1 ZINC001597887560 989734165 /nfs/dbraw/zinc/73/41/65/989734165.db2.gz OMQIVDQHVMCNDW-UHFFFAOYSA-N -2 3 337.807 2.657 20 10 EFCDHL COc1c([O-])c(CNc2cccc(CCC(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC001599345421 997996771 /nfs/dbraw/zinc/99/67/71/997996771.db2.gz KOISRTJGEAKLIK-UHFFFAOYSA-N -2 3 346.339 2.938 20 10 EFCDHL C[C@@H]1CC[C@@](NC(=O)c2cccc(O)c2[O-])(C(=O)[O-])c2ccccc21 ZINC001594323005 999245484 /nfs/dbraw/zinc/24/54/84/999245484.db2.gz PSTAZEBZUPUHLU-WYRIXSBYSA-N -2 3 341.363 2.705 20 10 EFCDHL Cc1[nH]nc(NCc2cc(Cl)cc(Cl)c2[O-])c1-c1nnn[n-]1 ZINC001592330856 1094080060 /nfs/dbraw/zinc/08/00/60/1094080060.db2.gz NNVLTJDRYYOYFE-UHFFFAOYSA-N -2 3 340.174 2.523 20 10 EFCDHL Cc1[nH]nc(NCc2cc(Cl)cc(Cl)c2[O-])c1-c1nn[n-]n1 ZINC001592330856 1094080066 /nfs/dbraw/zinc/08/00/66/1094080066.db2.gz NNVLTJDRYYOYFE-UHFFFAOYSA-N -2 3 340.174 2.523 20 10 EFCDHL Cc1cc(C(=O)NCc2c([O-])cccc2F)cc(C)c1OCC(=O)[O-] ZINC001600094038 1094766608 /nfs/dbraw/zinc/76/66/08/1094766608.db2.gz KKUNIXZRQHAEFO-UHFFFAOYSA-N -2 3 347.342 2.542 20 10 EFCDHL Cc1cc(CC(=O)[N-]OCCCC(=O)[O-])c(C)n1-c1ccccc1 ZINC001600187258 1094850579 /nfs/dbraw/zinc/85/05/79/1094850579.db2.gz SSJDMMUTLWWAOY-UHFFFAOYSA-N -2 3 330.384 2.549 20 10 EFCDHL Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001600286875 1094946130 /nfs/dbraw/zinc/94/61/30/1094946130.db2.gz QDFGIJBXLKTTNT-UHFFFAOYSA-N -2 3 349.408 2.864 20 10 EFCDHL O=C([O-])CN(Cc1ccnn1CC1CC1)Cc1cc(Cl)ccc1[O-] ZINC001602057309 1096044997 /nfs/dbraw/zinc/04/49/97/1096044997.db2.gz ULXBXTKZUSOLLO-UHFFFAOYSA-N -2 3 349.818 2.739 20 10 EFCDHL O=C([O-])c1cc(F)ccc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1 ZINC001602277269 1096156605 /nfs/dbraw/zinc/15/66/05/1096156605.db2.gz QCDRFDPKIQUUMH-UHFFFAOYSA-N -3 3 345.735 2.684 20 10 EFCDHL CCCCOC(=O)[C@@H](C)N(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001605281605 1097080286 /nfs/dbraw/zinc/08/02/86/1097080286.db2.gz INIKSGHGWKLYQW-LLVKDONJSA-N -2 3 343.807 2.664 20 10 EFCDHL [O-]c1c(Cl)cc(Cl)cc1CNc1ccc(-c2nnn[n-]2)nc1 ZINC001607110332 1097517757 /nfs/dbraw/zinc/51/77/57/1097517757.db2.gz AISGKSSDVLTOOV-UHFFFAOYSA-N -2 3 337.170 2.886 20 10 EFCDHL [O-]c1c(Cl)cc(Cl)cc1CNc1ccc(-c2nn[n-]n2)nc1 ZINC001607110332 1097517762 /nfs/dbraw/zinc/51/77/62/1097517762.db2.gz AISGKSSDVLTOOV-UHFFFAOYSA-N -2 3 337.170 2.886 20 10 EFCDHL O=C([O-])c1ccc2c(c1)[C@@H](CNC(=O)c1cccc(O)c1[O-])CCC2 ZINC001608919702 1098072436 /nfs/dbraw/zinc/07/24/36/1098072436.db2.gz ZWEDBSQLKHEQHV-CYBMUJFWSA-N -2 3 341.363 2.646 20 10 EFCDHL O=C([O-])c1cnc(CNCc2cccc(Br)c2[O-])s1 ZINC001608973001 1098094186 /nfs/dbraw/zinc/09/41/86/1098094186.db2.gz XPRLYWCZOOBXBI-UHFFFAOYSA-N -2 3 343.202 2.599 20 10 EFCDHL O=C([O-])c1ccc(NCc2cc(Cl)c3cccnc3c2[O-])nn1 ZINC001168522478 1112009272 /nfs/dbraw/zinc/00/92/72/1112009272.db2.gz SMFDBDQJQHXTPG-UHFFFAOYSA-N -2 3 330.731 2.694 20 10 EFCDHL COC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000095997434 473250158 /nfs/dbraw/zinc/25/01/58/473250158.db2.gz WNXBZKKHVFHRCB-UHFFFAOYSA-N -2 3 341.772 2.633 20 10 EFCDHL O=C(c1ccccc1[O-])N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000119373325 472550337 /nfs/dbraw/zinc/55/03/37/472550337.db2.gz VDEILCLMXUXVOJ-UHFFFAOYSA-N -2 3 346.814 2.709 20 10 EFCDHL O=C([N-][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1)C(F)(F)F ZINC000134266197 472889771 /nfs/dbraw/zinc/88/97/71/472889771.db2.gz OEOHVHXLVCALNI-NSHDSACASA-N -2 3 336.741 2.689 20 10 EFCDHL COc1ccc([C@H](CC(=O)[O-])NCc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000756333628 575719148 /nfs/dbraw/zinc/71/91/48/575719148.db2.gz RQIPGDBUDCKYKY-HNNXBMFYSA-N -2 3 346.339 2.615 20 10 EFCDHL O=S(=O)([N-]c1ccc([O-])cc1F)c1c(Cl)nc2sccn21 ZINC000758168969 575861697 /nfs/dbraw/zinc/86/16/97/575861697.db2.gz IVWHMUWQYQAOOZ-UHFFFAOYSA-N -2 3 347.780 2.695 20 10 EFCDHL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc([O-])cc1F ZINC000758170275 575861713 /nfs/dbraw/zinc/86/17/13/575861713.db2.gz KWYKHDRVKZTUCT-UHFFFAOYSA-N -2 3 331.752 2.994 20 10 EFCDHL CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000758775374 575877308 /nfs/dbraw/zinc/87/73/08/575877308.db2.gz WJYGIZSQZMLVIW-UHFFFAOYSA-N -2 3 327.308 2.674 20 10 EFCDHL CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000766047027 577101386 /nfs/dbraw/zinc/10/13/86/577101386.db2.gz BWIKKLCWFCXIMG-UHFFFAOYSA-N -2 3 341.335 2.982 20 10 EFCDHL CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000766047835 577101715 /nfs/dbraw/zinc/10/17/15/577101715.db2.gz LORXTGYDPSXDKR-UHFFFAOYSA-N -2 3 341.335 2.982 20 10 EFCDHL CN(Cc1ccon1)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000739885205 1268770737 /nfs/dbraw/zinc/77/07/37/1268770737.db2.gz OJELGPDAHJXBIE-UHFFFAOYSA-N -2 3 338.363 2.949 20 10 EFCDHL CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000790415212 1277526491 /nfs/dbraw/zinc/52/64/91/1277526491.db2.gz BJAHVFCITWZTQI-UHFFFAOYSA-N -2 3 349.408 2.773 20 10 EFCDHL CC(=O)c1cc(F)cc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1[O-] ZINC000846270605 1280094145 /nfs/dbraw/zinc/09/41/45/1280094145.db2.gz JWYXGGPLHMZHCE-KRWDZBQOSA-N -2 3 343.354 2.918 20 10 EFCDHL COc1ccc(O)c(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)c1 ZINC000808115439 1281542163 /nfs/dbraw/zinc/54/21/63/1281542163.db2.gz DBOWQQGLEMKIRI-UHFFFAOYSA-N -2 3 347.751 2.700 20 10 EFCDHL COc1ccc([O-])c(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)c1 ZINC000808115439 1281542168 /nfs/dbraw/zinc/54/21/68/1281542168.db2.gz DBOWQQGLEMKIRI-UHFFFAOYSA-N -2 3 347.751 2.700 20 10 EFCDHL COc1ccc(F)c(S(=O)(=O)[N-]c2ccc([O-])c(F)c2F)c1 ZINC001196758449 1294364393 /nfs/dbraw/zinc/36/43/93/1294364393.db2.gz WSNYUPZUEIYKEQ-UHFFFAOYSA-N -2 3 333.287 2.619 20 10 EFCDHL O=S(=O)(Cc1c(F)cccc1F)[N-]c1cc(F)c([O-])cc1F ZINC001197602855 1294634265 /nfs/dbraw/zinc/63/42/65/1294634265.db2.gz IAMUXNJNFGKQIW-UHFFFAOYSA-N -2 3 335.278 2.891 20 10 EFCDHL CC(C)OCCOc1cc([O-])cc2oc3cc([O-])c(O)cc3c(=O)c12 ZINC001234748190 1313188492 /nfs/dbraw/zinc/18/84/92/1313188492.db2.gz GTVJXLJFZYXARH-UHFFFAOYSA-N -2 3 346.335 2.867 20 10 EFCDHL O=c1c2cc(O)c([O-])cc2oc2cc([O-])cc(O[C@H]3CCCOC3)c12 ZINC001234749278 1313188929 /nfs/dbraw/zinc/18/89/29/1313188929.db2.gz QUWVIRJFYSRUGK-JTQLQIEISA-N -2 3 344.319 2.621 20 10 EFCDHL COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1 ZINC000776750473 1300617713 /nfs/dbraw/zinc/61/77/13/1300617713.db2.gz FXJWDKFVWHCSDU-UHFFFAOYSA-N -2 3 341.772 2.633 20 10 EFCDHL Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1C(=O)[O-] ZINC000794866973 1303397289 /nfs/dbraw/zinc/39/72/89/1303397289.db2.gz ZCZDBVIEOAQKBO-UHFFFAOYSA-N -2 3 341.772 2.853 20 10 EFCDHL CC(C)[C@H](C)Oc1c(O)c([O-])ccc1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001229787289 1312139424 /nfs/dbraw/zinc/13/94/24/1312139424.db2.gz ULCCEEFDUCTNKH-VIFPVBQESA-N -2 3 348.351 2.869 20 10 EFCDHL O=S(=O)([N-]c1cc(F)c([O-])cc1F)c1cc(F)c(F)cc1F ZINC001259040807 1316201372 /nfs/dbraw/zinc/20/13/72/1316201372.db2.gz IDXQIHPZZQBBTK-UHFFFAOYSA-N -2 3 339.241 2.889 20 10 EFCDHL O=S(=O)([N-]c1ccc([O-])c(F)c1)c1ccc(Cl)c2nonc21 ZINC001261071236 1316387978 /nfs/dbraw/zinc/38/79/78/1316387978.db2.gz UEQKVAKSZQJALP-UHFFFAOYSA-N -2 3 343.723 2.522 20 10 EFCDHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1 ZINC000317917535 716422452 /nfs/dbraw/zinc/42/24/52/716422452.db2.gz JOQFWXAACPWOCZ-UHFFFAOYSA-N -3 3 341.772 2.853 20 10 EFCDHL COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cc1 ZINC000170270007 728437241 /nfs/dbraw/zinc/43/72/41/728437241.db2.gz DBSOZLNFJVTCLU-UHFFFAOYSA-N -2 3 331.752 2.994 20 10 EFCDHL