smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Nc1cc(F)c([O-])cc1Cl)c1cc(F)ccc1[O-] ZINC001472192842 937773865 /nfs/dbraw/zinc/77/38/65/937773865.db2.gz DACSDBIZDGJSBQ-UHFFFAOYSA-N -2 3 299.660 3.282 20 0 CGADHL O=C(Nc1ccc(Cl)cc1[O-])c1c([O-])cccc1F ZINC000185622015 249056572 /nfs/dbraw/zinc/05/65/72/249056572.db2.gz MCUBCTMWJGPVOE-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL O=C([O-])Nc1ccc(OC(=O)c2cc3occc3[n-]2)cc1 ZINC000834261492 605844694 /nfs/dbraw/zinc/84/46/94/605844694.db2.gz FHQAKYPSMJMVAX-UHFFFAOYSA-N -2 3 286.243 3.070 20 0 CGADHL O=C(Cc1ccc([S-])cc1)Nc1ccc(F)c([O-])c1 ZINC001183188156 810139492 /nfs/dbraw/zinc/13/94/92/810139492.db2.gz FYWDHZMOFORMND-UHFFFAOYSA-N -2 3 277.320 3.001 20 0 CGADHL C[C@H](OCCCCP(=O)([O-])[O-])c1csc(Cl)c1 ZINC001225023526 816933740 /nfs/dbraw/zinc/93/37/40/816933740.db2.gz XDFIHIRZROJHDT-QMMMGPOBSA-N -2 3 298.728 3.437 20 0 CGADHL O=C([O-])c1ccc(-c2ccc3c(c2)[N-]C(=S)C3)cc1 ZINC001236063376 819296309 /nfs/dbraw/zinc/29/63/09/819296309.db2.gz FVVKYIBETNEKDY-UHFFFAOYSA-N -2 3 269.325 3.347 20 0 CGADHL [O-]c1cc(-c2nc[n-]c3nc(=S)sc2-3)ccc1Cl ZINC001243579723 823452932 /nfs/dbraw/zinc/45/29/32/823452932.db2.gz YFRGIXILQDLGPI-UHFFFAOYSA-N -2 3 295.776 3.401 20 0 CGADHL O=C(Nc1ccc([O-])c(Cl)c1)c1c(F)ccc([O-])c1F ZINC001466225722 937707394 /nfs/dbraw/zinc/70/73/94/937707394.db2.gz RCNSYTJHYCVDDA-UHFFFAOYSA-N -2 3 299.660 3.282 20 0 CGADHL CCc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2C)c([O-])c1 ZINC001597502823 988068908 /nfs/dbraw/zinc/06/89/08/988068908.db2.gz GQGSABYTIPAFOA-UHFFFAOYSA-N -2 3 299.326 3.214 20 0 CGADHL CSc1c(F)cccc1[N-]C(=O)c1cc(C(=O)[O-])co1 ZINC001599807302 988276260 /nfs/dbraw/zinc/27/62/60/988276260.db2.gz CGJXIEWBSOJAFU-UHFFFAOYSA-N -2 3 295.291 3.091 20 0 CGADHL Cc1cc2c([n-]c(-c3ccc(C(=O)[O-])s3)nc2=O)s1 ZINC000494899243 301453121 /nfs/dbraw/zinc/45/31/21/301453121.db2.gz ZIUSMQGKWMODCI-UHFFFAOYSA-N -2 3 292.341 3.132 20 0 CGADHL O=C(Nc1c([O-])cccc1Cl)c1cc(F)c([O-])c(F)c1 ZINC000567002629 322146516 /nfs/dbraw/zinc/14/65/16/322146516.db2.gz ZGZGGZMLQACHRY-UHFFFAOYSA-N -2 3 299.660 3.282 20 0 CGADHL O=C([O-])/C=C\c1cnc(/C=C/c2cccc([O-])c2)s1 ZINC000748440698 572977178 /nfs/dbraw/zinc/97/71/78/572977178.db2.gz MKLZLTKAZXHJBT-GUBXDBFYSA-N -2 3 273.313 3.117 20 0 CGADHL O=C(Nc1ccc([O-])c(Cl)c1)c1cc(F)ccc1[O-] ZINC000128693482 636062365 /nfs/dbraw/zinc/06/23/65/636062365.db2.gz YCWXXUVZBKYIEP-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL CSc1ccccc1[N-]C(=S)Nc1cncc([O-])c1 ZINC001249689913 805212868 /nfs/dbraw/zinc/21/28/68/805212868.db2.gz WCOSJQFLPIQETO-UHFFFAOYSA-N -2 3 291.401 3.318 20 0 CGADHL O=C([O-])Cc1ccc(Nc2ccc([O-])c(Cl)c2)cc1 ZINC001174953874 809213383 /nfs/dbraw/zinc/21/33/83/809213383.db2.gz RJVWSEAEUXXEAM-UHFFFAOYSA-N -2 3 277.707 3.416 20 0 CGADHL O=C([O-])CCc1ccc(Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001213629675 815314714 /nfs/dbraw/zinc/31/47/14/815314714.db2.gz KTJQTABEKNSBPZ-UHFFFAOYSA-N -2 3 293.269 3.431 20 0 CGADHL COc1ccc(Nc2c(F)cc([O-])cc2F)cc1C(=O)[O-] ZINC001209901559 814194220 /nfs/dbraw/zinc/19/42/20/814194220.db2.gz AQPWQMQGGADHLP-UHFFFAOYSA-N -2 3 295.241 3.121 20 0 CGADHL Cc1c(F)cc(C(=O)[O-])cc1Nc1ncc(Cl)cc1[O-] ZINC001210006012 814240050 /nfs/dbraw/zinc/24/00/50/814240050.db2.gz ZGQAFVBUMBTQBN-UHFFFAOYSA-N -2 3 296.685 3.330 20 0 CGADHL C[C@@H](OCCP(=O)([O-])[O-])c1cc(Cl)ccc1Cl ZINC001224600864 816831152 /nfs/dbraw/zinc/83/11/52/816831152.db2.gz AXSFPIPHTCADKC-SSDOTTSWSA-N -2 3 299.090 3.249 20 0 CGADHL CCCC/C=C/[C@@H](C)OCCCCP(=O)([O-])[O-] ZINC001225018795 816932205 /nfs/dbraw/zinc/93/22/05/816932205.db2.gz HSFKYEICBFFALT-UVMWJGKXSA-N -2 3 264.302 3.096 20 0 CGADHL CC(C)=CCC[C@H](C)OCCCCP(=O)([O-])[O-] ZINC001225019177 816933726 /nfs/dbraw/zinc/93/37/26/816933726.db2.gz UHXQHMAJNQAYAO-LBPRGKRZSA-N -2 3 264.302 3.096 20 0 CGADHL Cc1ccc([C@H](C)OCCCCP(=O)([O-])[O-])c(C)c1 ZINC001225019066 816934995 /nfs/dbraw/zinc/93/49/95/816934995.db2.gz PZTTYUIBQAHLMC-ZDUSSCGKSA-N -2 3 286.308 3.339 20 0 CGADHL CCCC[C@H](CC)C[C@@H](C)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233944247 818737909 /nfs/dbraw/zinc/73/79/09/818737909.db2.gz MPWYKCDXXVYLAG-MNOVXSKESA-N -2 3 292.383 3.020 20 0 CGADHL Cc1ccc(NC(=O)[C@](C)(CC(=O)[O-])CC(C)C)c([O-])c1 ZINC000634816138 351591361 /nfs/dbraw/zinc/59/13/61/351591361.db2.gz BNYPCAUBPOZKGG-INIZCTEOSA-N -2 3 293.363 3.166 20 0 CGADHL CCc1ccc([O-])c(C(=O)Nc2c([O-])cccc2F)c1 ZINC000092550497 541976136 /nfs/dbraw/zinc/97/61/36/541976136.db2.gz PJKRGYGWFGFZFY-UHFFFAOYSA-N -2 3 275.279 3.052 20 0 CGADHL C[C@@H]1CCN(C(=O)c2ccccc2[O-])c2c([O-])cccc21 ZINC000186336798 374834866 /nfs/dbraw/zinc/83/48/66/374834866.db2.gz SFMSJMCYRLJPLZ-LLVKDONJSA-N -2 3 283.327 3.252 20 0 CGADHL [O-]c1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c(F)c1 ZINC000236574589 376666012 /nfs/dbraw/zinc/66/60/12/376666012.db2.gz OENQCEMBBZVZFG-UHFFFAOYSA-N -2 3 290.225 3.093 20 0 CGADHL Cc1cccc(C(=O)Nc2ccccc2NC(=O)[O-])c1[O-] ZINC000740162075 572434679 /nfs/dbraw/zinc/43/46/79/572434679.db2.gz JOIYMUIQPXTWNF-UHFFFAOYSA-N -2 3 286.287 3.043 20 0 CGADHL O=C([O-])c1cc(Nc2ccnc(C3CC3)c2)cc(C(=O)[O-])c1 ZINC001176238137 809653628 /nfs/dbraw/zinc/65/36/28/809653628.db2.gz NFSHIXYFMMTRNJ-UHFFFAOYSA-N -2 3 298.298 3.099 20 0 CGADHL COc1cc(Nc2cccc(Cl)c2[O-])cc(C(=O)[O-])c1 ZINC001213592702 815308331 /nfs/dbraw/zinc/30/83/31/815308331.db2.gz NGKQWUNNGPJNEV-UHFFFAOYSA-N -2 3 293.706 3.496 20 0 CGADHL CC[C@@H](OCCCCP(=O)([O-])[O-])c1ccccc1 ZINC001225023601 816934496 /nfs/dbraw/zinc/93/44/96/816934496.db2.gz ZAGJEQSZPBYFIT-CYBMUJFWSA-N -2 3 272.281 3.112 20 0 CGADHL O=C([O-])c1ccccc1-c1c(F)ccc([O-])c1F ZINC001241290653 821706085 /nfs/dbraw/zinc/70/60/85/821706085.db2.gz CQMHDAMXBAYANE-UHFFFAOYSA-N -2 3 250.200 3.036 20 0 CGADHL COc1ccc(-c2ccc3c(c2)[N-]C(=S)C3)cc1C(=O)[O-] ZINC001241881177 822191349 /nfs/dbraw/zinc/19/13/49/822191349.db2.gz OKTOHMIOQJGGRV-UHFFFAOYSA-N -2 3 299.351 3.356 20 0 CGADHL [O-]c1c(Cl)cccc1-c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001242365779 822969057 /nfs/dbraw/zinc/96/90/57/822969057.db2.gz KGEFRBPSYFQFHF-UHFFFAOYSA-N -2 3 290.685 3.032 20 0 CGADHL C[C@H](Oc1[n-]c(=O)nc2cccc(Cl)c21)C1=CC=C[CH]1 ZINC001230887062 932635841 /nfs/dbraw/zinc/63/58/41/932635841.db2.gz UXEQCDVSNGOCIK-VIFPVBQESA-N -2 3 287.726 3.457 20 0 CGADHL O=C(Nc1ccccc1[O-])c1cccc(C(F)(F)F)c1[O-] ZINC000622322523 349672184 /nfs/dbraw/zinc/67/21/84/349672184.db2.gz SWSRDFWGAPKUQO-UHFFFAOYSA-N -2 3 297.232 3.369 20 0 CGADHL COc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])c([O-])c1 ZINC000153469803 371771893 /nfs/dbraw/zinc/77/18/93/371771893.db2.gz HTOWOQWOVHDYAU-UHFFFAOYSA-N -2 3 293.706 3.012 20 0 CGADHL COc1cc(C(=O)Nc2ccccc2[O-])cc(Cl)c1[O-] ZINC000358970768 533559369 /nfs/dbraw/zinc/55/93/69/533559369.db2.gz XYCQZIYDQVFBRS-UHFFFAOYSA-N -2 3 293.706 3.012 20 0 CGADHL O=c1[n-]c(-c2ccc([O-])c(Cl)c2)nc2ccc([O-])cc12 ZINC000436907937 542658513 /nfs/dbraw/zinc/65/85/13/542658513.db2.gz HKTAJRAXRKIMHI-UHFFFAOYSA-N -3 3 288.690 3.067 20 0 CGADHL COc1ccc(NC(=O)c2cc(Cl)ccc2[O-])c([O-])c1 ZINC000443558183 542666560 /nfs/dbraw/zinc/66/65/60/542666560.db2.gz JSESBJZPZCDURW-UHFFFAOYSA-N -2 3 293.706 3.012 20 0 CGADHL Cc1cc(Cl)cc(NC(=O)c2ccc([O-])c(F)c2)c1[O-] ZINC000681059550 543762516 /nfs/dbraw/zinc/76/25/16/543762516.db2.gz XFNHZTTYQAERLJ-UHFFFAOYSA-N -2 3 295.697 3.451 20 0 CGADHL O=C(Nc1c([O-])cccc1Cl)c1ccc([O-])cc1F ZINC000569466895 322247975 /nfs/dbraw/zinc/24/79/75/322247975.db2.gz NHCQBCMIVJRLMT-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL O=C([O-])c1cccc(Nc2ccc([O-])c(F)c2F)c1 ZINC001175329577 809357922 /nfs/dbraw/zinc/35/79/22/809357922.db2.gz PCSOBYWKRYUNQR-UHFFFAOYSA-N -2 3 265.215 3.112 20 0 CGADHL O=C([O-])c1cc(Nc2cc(F)c([O-])cc2F)cs1 ZINC001176441832 809699185 /nfs/dbraw/zinc/69/91/85/809699185.db2.gz WARVYTZLNOCMQE-UHFFFAOYSA-N -2 3 271.244 3.174 20 0 CGADHL CC[C@H](C)C[C@H](CC)OCCCCP(=O)([O-])[O-] ZINC001225022023 816933906 /nfs/dbraw/zinc/93/39/06/816933906.db2.gz LOEBVIMTMGMAMV-RYUDHWBXSA-N -2 3 266.318 3.176 20 0 CGADHL O=P([O-])([O-])CCCCO[C@H]1CCCc2ccccc21 ZINC001225019844 816935001 /nfs/dbraw/zinc/93/50/01/816935001.db2.gz BBQCGGLCMIYWMP-AWEZNQCLSA-N -2 3 284.292 3.039 20 0 CGADHL [S-]c1cc([S-])cc(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001241444378 821838888 /nfs/dbraw/zinc/83/88/88/821838888.db2.gz ASNFUOOHCIMKKQ-UHFFFAOYSA-N -3 3 286.385 3.111 20 0 CGADHL O=C(Nc1c([O-])cccc1F)c1ccc(Cl)c([O-])c1 ZINC001165758431 931995748 /nfs/dbraw/zinc/99/57/48/931995748.db2.gz HKEBCJWAUTZTAJ-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL CCc1ccc(C(=O)Nc2cc(C(C)=O)ccc2[O-])c([O-])c1 ZINC000436840416 529609445 /nfs/dbraw/zinc/60/94/45/529609445.db2.gz QRFYXJWXHPKKTP-UHFFFAOYSA-N -2 3 299.326 3.115 20 0 CGADHL CCc1ccc([O-])c(C(=O)Nc2cccc([O-])c2F)c1 ZINC000539865623 288635715 /nfs/dbraw/zinc/63/57/15/288635715.db2.gz YGWOFVGAIAUDBB-UHFFFAOYSA-N -2 3 275.279 3.052 20 0 CGADHL Cc1cccc(C(=O)Nc2cccc(Cl)c2[O-])c1[O-] ZINC000436606978 534626840 /nfs/dbraw/zinc/62/68/40/534626840.db2.gz RQAAFSCOUYTQIA-UHFFFAOYSA-N -2 3 277.707 3.312 20 0 CGADHL O=C(Nc1ccc(Cl)cc1[O-])c1cc(F)ccc1[O-] ZINC000436739179 534830355 /nfs/dbraw/zinc/83/03/55/534830355.db2.gz NELUSZRVBOIXMC-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL O=S(=O)([N-]c1ccc([S-])cc1)c1cccc(Cl)c1 ZINC001256790409 806977926 /nfs/dbraw/zinc/97/79/26/806977926.db2.gz RDRXFNHHOPQVIR-UHFFFAOYSA-N -2 3 299.804 3.430 20 0 CGADHL Cc1ccc(C(=O)[O-])cc1Nc1cc([O-])c(F)cc1F ZINC001174982859 809225994 /nfs/dbraw/zinc/22/59/94/809225994.db2.gz YIZYWEDKWRRAHJ-UHFFFAOYSA-N -2 3 279.242 3.421 20 0 CGADHL CCCC[C@@H](CC)C[C@H](C)OCCP(=O)([O-])[O-] ZINC001224601317 816831599 /nfs/dbraw/zinc/83/15/99/816831599.db2.gz GGZKVWYYBKAHJQ-NWDGAFQWSA-N -2 3 266.318 3.176 20 0 CGADHL O=C([O-])c1ccccc1Nc1cccc(Cl)c1[O-] ZINC001210967375 814693999 /nfs/dbraw/zinc/69/39/99/814693999.db2.gz DOSIAYXQQNLNDV-UHFFFAOYSA-N -2 3 263.680 3.487 20 0 CGADHL CCCCCC[C@H](CCC)OCCP(=O)([O-])[O-] ZINC001224602717 816831548 /nfs/dbraw/zinc/83/15/48/816831548.db2.gz SQSKBVNPXLKSBM-LBPRGKRZSA-N -2 3 266.318 3.320 20 0 CGADHL C[C@@H](OCCCCP(=O)([O-])[O-])c1cccc(Cl)c1 ZINC001225018734 816933017 /nfs/dbraw/zinc/93/30/17/816933017.db2.gz GTVKMZXJFYFRJO-SNVBAGLBSA-N -2 3 292.699 3.376 20 0 CGADHL Cc1cc(=O)oc2cc([O-])c(O[C@@H](C)C3=CC=C[CH]3)cc12 ZINC001226532785 817389631 /nfs/dbraw/zinc/38/96/31/817389631.db2.gz VAWURNFMXFNFQP-NSHDSACASA-N -2 3 283.303 3.275 20 0 CGADHL Cc1c(C(=O)[O-])ccc(-c2ccc(=S)[n-]n2)c1Cl ZINC001236116683 819328085 /nfs/dbraw/zinc/32/80/85/819328085.db2.gz ZIVCREHFJXDUEN-UHFFFAOYSA-N -2 3 280.736 3.092 20 0 CGADHL COc1cc(C(=O)[O-])ccc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001240738074 821290649 /nfs/dbraw/zinc/29/06/49/821290649.db2.gz ASYMXHZFARUXBK-UHFFFAOYSA-N -2 3 299.351 3.356 20 0 CGADHL Cc1cc(C(=O)Nc2cc(F)cc(Cl)c2[O-])ccc1[O-] ZINC000474439656 375110704 /nfs/dbraw/zinc/11/07/04/375110704.db2.gz VQJOJHAMFMQWGR-UHFFFAOYSA-N -2 3 295.697 3.451 20 0 CGADHL O=C([O-])Nc1ccc(-c2nc(-c3ccc([O-])cc3)no2)cc1 ZINC000738660616 572385788 /nfs/dbraw/zinc/38/57/88/572385788.db2.gz FXWNTWQCLFBTLX-UHFFFAOYSA-N -2 3 297.270 3.199 20 0 CGADHL O=C([O-])c1cccc(C(=O)[O-])c1-c1ccc(Cl)cc1[O-] ZINC001244470026 803385804 /nfs/dbraw/zinc/38/58/04/803385804.db2.gz WNYWXXUNBNNPRT-UHFFFAOYSA-N -3 3 292.674 3.109 20 0 CGADHL O=C([O-])Cc1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001174954525 809214145 /nfs/dbraw/zinc/21/41/45/809214145.db2.gz OAMLFECKUIRXOO-UHFFFAOYSA-N -2 3 279.242 3.041 20 0 CGADHL O=C([O-])c1cccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)c1 ZINC001175329078 809356842 /nfs/dbraw/zinc/35/68/42/809356842.db2.gz SISSZYQXDUDTME-UHFFFAOYSA-N -2 3 295.298 3.020 20 0 CGADHL O=C([O-])CCc1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001213627513 815313734 /nfs/dbraw/zinc/31/37/34/815313734.db2.gz JHTVTHOXIVUXFV-UHFFFAOYSA-N -2 3 293.269 3.431 20 0 CGADHL O=P([O-])([O-])CCO[C@@H]1CCCC[C@H]1C1CCCCC1 ZINC001224602181 816830909 /nfs/dbraw/zinc/83/09/09/816830909.db2.gz OUXHMVLJTABFQA-UONOGXRCSA-N -2 3 290.340 3.320 20 0 CGADHL O=P([O-])([O-])CCCCO[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC001225018540 816932636 /nfs/dbraw/zinc/93/26/36/816932636.db2.gz AFJXZXKQQWPZLC-MGPQQGTHSA-N -2 3 290.340 3.320 20 0 CGADHL CC(C)C[C@@H](OCCCCP(=O)([O-])[O-])C(C)C ZINC001225018804 816932656 /nfs/dbraw/zinc/93/26/56/816932656.db2.gz IBTYZPANBKVAIJ-GFCCVEGCSA-N -2 3 266.318 3.032 20 0 CGADHL CC1(C)[C@H](OCCCCP(=O)([O-])[O-])[C@]2(C)CC[C@H]1C2 ZINC001225019238 816934377 /nfs/dbraw/zinc/93/43/77/816934377.db2.gz VDFTYWHJOPDZNW-SGMGOOAPSA-N -2 3 290.340 3.176 20 0 CGADHL O=C(Nc1cc([O-])c(F)cc1F)c1ccc(Cl)c([O-])c1 ZINC001450894510 937387846 /nfs/dbraw/zinc/38/78/46/937387846.db2.gz HPCUQQKCTLSPKC-UHFFFAOYSA-N -2 3 299.660 3.282 20 0 CGADHL C[C@@H](Oc1nc(=S)[n-]c2sccc21)C1=CC=C[CH]1 ZINC001229570144 932173201 /nfs/dbraw/zinc/17/32/01/932173201.db2.gz PSEJXMFJGGTHSY-MRVPVSSYSA-N -2 3 275.378 3.448 20 0 CGADHL O=C(Nc1cccc(Cl)c1[O-])c1c(F)ccc([O-])c1F ZINC000334283429 206305685 /nfs/dbraw/zinc/30/56/85/206305685.db2.gz JCAHQHNBBJRRNB-UHFFFAOYSA-N -2 3 299.660 3.282 20 0 CGADHL O=C(Nc1ccc(Cl)cc1[O-])c1ccc([O-])c(F)c1 ZINC000681059347 543762226 /nfs/dbraw/zinc/76/22/26/543762226.db2.gz OBGXMQOCYVJDKH-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL CCC(=O)c1ccc([O-])c(NC(=O)c2cccc(C)c2[O-])c1 ZINC000436652692 528462627 /nfs/dbraw/zinc/46/26/27/528462627.db2.gz PWEUZDKJFIMOMK-UHFFFAOYSA-N -2 3 299.326 3.251 20 0 CGADHL [O-]c1c(Cl)ccc(-c2cccc(-c3nn[n-]n3)c2)c1F ZINC001244634305 803476780 /nfs/dbraw/zinc/47/67/80/803476780.db2.gz UZOFETMRJBDDKF-UHFFFAOYSA-N -2 3 290.685 3.032 20 0 CGADHL O=C([O-])c1ccc(Nc2cccc([O-])c2Cl)cc1 ZINC001176712458 809747019 /nfs/dbraw/zinc/74/70/19/809747019.db2.gz AIRIFQFREHUSLC-UHFFFAOYSA-N -2 3 263.680 3.487 20 0 CGADHL O=C([O-])c1ccc(Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001176712950 809747948 /nfs/dbraw/zinc/74/79/48/809747948.db2.gz VQUPXVOTQSERJN-UHFFFAOYSA-N -2 3 265.215 3.112 20 0 CGADHL CC[C@H](C[C@@H](C)CC)OCCCCP(=O)([O-])[O-] ZINC001225022022 816934397 /nfs/dbraw/zinc/93/43/97/816934397.db2.gz LOEBVIMTMGMAMV-NWDGAFQWSA-N -2 3 266.318 3.176 20 0 CGADHL COc1ccc(Nc2cc(F)c([O-])c(F)c2)cc1C(=O)[O-] ZINC001209902519 814194239 /nfs/dbraw/zinc/19/42/39/814194239.db2.gz CDTBIUSHLFIRDC-UHFFFAOYSA-N -2 3 295.241 3.121 20 0 CGADHL [O-]c1cc(Cl)cnc1Nc1cccc([S-])c1 ZINC001210944890 814683588 /nfs/dbraw/zinc/68/35/88/814683588.db2.gz AHGBRJMUPODOGW-UHFFFAOYSA-N -2 3 252.726 3.473 20 0 CGADHL Cc1cc(Nc2c(F)cc([O-])cc2F)cc(C(=O)[O-])c1 ZINC001211547639 814905538 /nfs/dbraw/zinc/90/55/38/814905538.db2.gz VLHLYWRPIWSNBN-UHFFFAOYSA-N -2 3 279.242 3.421 20 0 CGADHL Cc1cc(C(=O)[O-])ccc1Nc1c(F)cc([O-])cc1F ZINC001211626693 814921343 /nfs/dbraw/zinc/92/13/43/814921343.db2.gz RPZRQJTUPYOYFX-UHFFFAOYSA-N -2 3 279.242 3.421 20 0 CGADHL CC(C)[C@@H](OCCCCP(=O)([O-])[O-])c1ccccc1 ZINC001225018624 816933202 /nfs/dbraw/zinc/93/32/02/816933202.db2.gz CTUUOGLJTWNGAM-CQSZACIVSA-N -2 3 286.308 3.358 20 0 CGADHL CCCC[C@@H](CC)[C@@H](CC)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233943384 818736203 /nfs/dbraw/zinc/73/62/03/818736203.db2.gz IQBQVCBPZLYFAW-ZYHUDNBSSA-N -2 3 292.383 3.020 20 0 CGADHL O=C([O-])/C=C/c1ccccc1-c1c(F)ccc([O-])c1F ZINC001241293315 821710651 /nfs/dbraw/zinc/71/06/51/821710651.db2.gz RSPFEWYUYXVPES-VMPITWQZSA-N -2 3 276.238 3.435 20 0 CGADHL Cc1cccc([O-])c1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC001556302840 938203083 /nfs/dbraw/zinc/20/30/83/938203083.db2.gz XVYCCQDMDSWHKB-UHFFFAOYSA-N -2 3 295.697 3.451 20 0 CGADHL [O-]c1ccc(CNCc2cccc([O-])c2Cl)cc1F ZINC000339275062 215058082 /nfs/dbraw/zinc/05/80/82/215058082.db2.gz PXHKNKHZTYGEHN-UHFFFAOYSA-N -2 3 281.714 3.180 20 0 CGADHL Cc1ccc(C(=O)Nc2cccc(Cl)c2[O-])c([O-])c1 ZINC000436600445 533615089 /nfs/dbraw/zinc/61/50/89/533615089.db2.gz FEXWUCLHNRRTSC-UHFFFAOYSA-N -2 3 277.707 3.312 20 0 CGADHL Cc1ccc(C(=O)Nc2c([O-])cccc2F)c([O-])c1C ZINC000678374304 543519244 /nfs/dbraw/zinc/51/92/44/543519244.db2.gz CTPIVUUEPFGLET-UHFFFAOYSA-N -2 3 275.279 3.106 20 0 CGADHL CCC(=O)c1ccc([O-])c(NC(=O)c2cc(C)ccc2[O-])c1 ZINC000436650392 528461094 /nfs/dbraw/zinc/46/10/94/528461094.db2.gz ZFTCCZCTSYZVSN-UHFFFAOYSA-N -2 3 299.326 3.251 20 0 CGADHL O=C(Nc1ccc([O-])c(Cl)c1)c1c([O-])cccc1F ZINC000185403221 625356557 /nfs/dbraw/zinc/35/65/57/625356557.db2.gz YKDDHXDREIUFKT-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL COc1cc(Nc2ccc([O-])c(Cl)c2)cc(C(=O)[O-])c1 ZINC001213592673 815307860 /nfs/dbraw/zinc/30/78/60/815307860.db2.gz LSKUPAUQIVNLPU-UHFFFAOYSA-N -2 3 293.706 3.496 20 0 CGADHL O=C([O-])Cc1ccc(F)c(Nc2ccc([O-])c(F)c2F)c1 ZINC001216683515 815893006 /nfs/dbraw/zinc/89/30/06/815893006.db2.gz PVFMHMMNDZADFS-UHFFFAOYSA-N -2 3 297.232 3.180 20 0 CGADHL Cc1cc(-c2nn[n-]n2)ccc1-c1cccc([S-])c1 ZINC001242867199 823158747 /nfs/dbraw/zinc/15/87/47/823158747.db2.gz IDCSECARPYUBGQ-UHFFFAOYSA-N -2 3 268.345 3.131 20 0 CGADHL O=P([O-])([O-])CCCCO[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC001225018538 816932696 /nfs/dbraw/zinc/93/26/96/816932696.db2.gz AFJXZXKQQWPZLC-HZSPNIEDSA-N -2 3 290.340 3.320 20 0 CGADHL C[C@H](OCCCCP(=O)([O-])[O-])c1c(F)cccc1F ZINC001225022413 816934211 /nfs/dbraw/zinc/93/42/11/816934211.db2.gz OUQVMEOKXWAHLR-VIFPVBQESA-N -2 3 294.234 3.000 20 0 CGADHL CCc1ccc([O-])c(C(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC001597556463 988288814 /nfs/dbraw/zinc/28/88/14/988288814.db2.gz MEAFKENHVSWDIZ-UHFFFAOYSA-N -2 3 299.326 3.214 20 0 CGADHL Cc1sc(/C=C\c2c(F)ccc([O-])c2F)nc1C(=O)[O-] ZINC000352035704 219299297 /nfs/dbraw/zinc/29/92/97/219299297.db2.gz TWRVASMSQQZGOP-DJWKRKHSSA-N -2 3 297.282 3.304 20 0 CGADHL Cc1ccc(NC(=O)c2ccc(Cl)cc2[O-])c([O-])c1 ZINC000040421456 369154982 /nfs/dbraw/zinc/15/49/82/369154982.db2.gz AKRKXHTVTURZHG-UHFFFAOYSA-N -2 3 277.707 3.312 20 0 CGADHL CCc1ccc(C(=O)Nc2c([O-])cccc2F)c([O-])c1 ZINC000682517382 543849822 /nfs/dbraw/zinc/84/98/22/543849822.db2.gz VXYLDCUOMDTNLM-UHFFFAOYSA-N -2 3 275.279 3.052 20 0 CGADHL COc1ccc([O-])c(C(=O)Nc2c([O-])cccc2Cl)c1 ZINC000584201314 327063468 /nfs/dbraw/zinc/06/34/68/327063468.db2.gz ODGISXDPMRXBGA-UHFFFAOYSA-N -2 3 293.706 3.012 20 0 CGADHL Cc1cc(Nc2cc(F)c([O-])c(F)c2)ccc1C(=O)[O-] ZINC001211657469 814927559 /nfs/dbraw/zinc/92/75/59/814927559.db2.gz ORJVNDXTQFOFRP-UHFFFAOYSA-N -2 3 279.242 3.421 20 0 CGADHL CC(C)(C)c1nnc([N-]c2ccc(C(=O)[O-])s2)s1 ZINC001174806117 809166160 /nfs/dbraw/zinc/16/61/60/809166160.db2.gz STFMQTCLSNLNMV-UHFFFAOYSA-N -2 3 283.378 3.339 20 0 CGADHL O=C([O-])c1ccc([N-]c2nonc2C2CC2)c(Cl)c1 ZINC001248551803 804951222 /nfs/dbraw/zinc/95/12/22/804951222.db2.gz VFMGMFWQJDZXTG-UHFFFAOYSA-N -2 3 279.683 3.042 20 0 CGADHL O=c1cc(Nc2cc(Cl)c([O-])cc2F)nc(Cl)[n-]1 ZINC001250020403 805371172 /nfs/dbraw/zinc/37/11/72/805371172.db2.gz UPALODLKQUSTMX-UHFFFAOYSA-N -2 3 290.081 3.077 20 0 CGADHL O=C([O-])c1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001175097658 809269877 /nfs/dbraw/zinc/26/98/77/809269877.db2.gz SCICDDUBRMJDMQ-UHFFFAOYSA-N -2 3 265.215 3.112 20 0 CGADHL O=C([O-])c1cnc(F)c(Nc2cccc(Cl)c2[O-])c1 ZINC001215127919 815485929 /nfs/dbraw/zinc/48/59/29/815485929.db2.gz DJNGITTUQSLFRK-UHFFFAOYSA-N -2 3 282.658 3.022 20 0 CGADHL O=C(Nc1cccc([O-])c1F)c1cc(F)c([O-])c(Cl)c1 ZINC000336429998 213290901 /nfs/dbraw/zinc/29/09/01/213290901.db2.gz MPSMGJABVQIZDX-UHFFFAOYSA-N -2 3 299.660 3.282 20 0 CGADHL CCc1cccc(C(=O)Nc2c([O-])cccc2F)c1[O-] ZINC000092551154 541975324 /nfs/dbraw/zinc/97/53/24/541975324.db2.gz WIYKCKKTMYCFAM-UHFFFAOYSA-N -2 3 275.279 3.052 20 0 CGADHL Cc1ccc2nc(-c3cc([O-])cc(F)c3)[n-]c(=O)c2c1 ZINC000345197744 378221201 /nfs/dbraw/zinc/22/12/01/378221201.db2.gz GCIVXNXDQYYWSZ-UHFFFAOYSA-N -2 3 270.263 3.156 20 0 CGADHL CCC[C@H](CC)S(=O)(=O)[N-]c1ccc(Cl)cc1[O-] ZINC000650191100 397798953 /nfs/dbraw/zinc/79/89/53/397798953.db2.gz AIGQTVNVQUZXHS-JTQLQIEISA-N -2 3 291.800 3.366 20 0 CGADHL Cc1cccc(C(=O)Nc2ccc(NC(=O)[O-])cc2)c1[O-] ZINC000740161061 572434690 /nfs/dbraw/zinc/43/46/90/572434690.db2.gz DBNGPMFSHCPAOD-UHFFFAOYSA-N -2 3 286.287 3.043 20 0 CGADHL [O-]c1c(F)cc(-c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC001244502607 803409306 /nfs/dbraw/zinc/40/93/06/803409306.db2.gz PXPUYSBFUARPOT-UHFFFAOYSA-N -2 3 290.685 3.032 20 0 CGADHL O=C(Cc1ccc([O-])c(F)c1)Nc1ccccc1[S-] ZINC001144628726 805017493 /nfs/dbraw/zinc/01/74/93/805017493.db2.gz DADIQFPHRGYCNA-UHFFFAOYSA-N -2 3 277.320 3.001 20 0 CGADHL CCc1nnc([N-]c2c(F)ccc([O-])c2Cl)s1 ZINC001250228140 805504793 /nfs/dbraw/zinc/50/47/93/805504793.db2.gz NBQJYWLNPHJKAU-UHFFFAOYSA-N -2 3 273.720 3.342 20 0 CGADHL COc1cc(Nc2c(F)cc([O-])cc2F)ccc1C(=O)[O-] ZINC001174685968 809130952 /nfs/dbraw/zinc/13/09/52/809130952.db2.gz FEHNUTLNBJCXQT-UHFFFAOYSA-N -2 3 295.241 3.121 20 0 CGADHL CC[C@@H](C)CC[C@H](C)OCCCCP(=O)([O-])[O-] ZINC001225018682 816932294 /nfs/dbraw/zinc/93/22/94/816932294.db2.gz FJJXWXCTTMXWEM-NEPJUHHUSA-N -2 3 266.318 3.176 20 0 CGADHL C[C@H]1CCN(C(=O)c2ccccc2[O-])c2c([O-])cccc21 ZINC000186336811 327688339 /nfs/dbraw/zinc/68/83/39/327688339.db2.gz SFMSJMCYRLJPLZ-NSHDSACASA-N -2 3 283.327 3.252 20 0 CGADHL Cc1ccc(C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)c([O-])c1 ZINC000315419558 799236305 /nfs/dbraw/zinc/23/63/05/799236305.db2.gz IFYSYBAMHIIXRA-UITAMQMPSA-N -2 3 297.310 3.051 20 0 CGADHL O=C([O-])c1ccc(Nc2ncc(F)cc2[O-])c(Cl)c1 ZINC001248550796 804950518 /nfs/dbraw/zinc/95/05/18/804950518.db2.gz BBNKUAXTCBZHLS-UHFFFAOYSA-N -2 3 282.658 3.022 20 0 CGADHL O=C([O-])c1ccc(Nc2cc(F)cc(F)c2[O-])s1 ZINC001174808947 809168248 /nfs/dbraw/zinc/16/82/48/809168248.db2.gz XFEIQIQAIRAPJW-UHFFFAOYSA-N -2 3 271.244 3.174 20 0 CGADHL O=S(=O)(CC1CCC1)[N-]c1c([O-])ccc2ccccc21 ZINC001193513519 810900620 /nfs/dbraw/zinc/90/06/20/810900620.db2.gz CCWCGSHJMKVWOZ-UHFFFAOYSA-N -2 3 291.372 3.087 20 0 CGADHL O=C([O-])c1cccc(Nc2cc([O-])c(F)cc2F)c1F ZINC001210242502 814361164 /nfs/dbraw/zinc/36/11/64/814361164.db2.gz MGCHQKPZTDSVMD-UHFFFAOYSA-N -2 3 283.205 3.251 20 0 CGADHL C[C@H](OCCP(=O)([O-])[O-])c1c(Cl)cccc1Cl ZINC001224602307 816832154 /nfs/dbraw/zinc/83/21/54/816832154.db2.gz PXUGJOZOMNOHLV-ZETCQYMHSA-N -2 3 299.090 3.249 20 0 CGADHL CCC[C@@H](C)[C@H](CC)OCCCCP(=O)([O-])[O-] ZINC001225019607 816934528 /nfs/dbraw/zinc/93/45/28/816934528.db2.gz YTZBQAITWMBJCG-NEPJUHHUSA-N -2 3 266.318 3.176 20 0 CGADHL O=C([O-])c1ccc(-c2ccc3c(c2)[N-]C(=S)C3)cc1F ZINC001241186826 821623821 /nfs/dbraw/zinc/62/38/21/821623821.db2.gz HQABGWJNVRPGTB-UHFFFAOYSA-N -2 3 287.315 3.486 20 0 CGADHL O=C([O-])c1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000254318073 961319447 /nfs/dbraw/zinc/31/94/47/961319447.db2.gz MZGRTQSDSPXSJF-UHFFFAOYSA-N -2 3 275.691 3.494 20 0 CGADHL O=C(Nc1cc(F)ccc1[O-])c1cc(F)cc(Cl)c1[O-] ZINC000436788551 237182721 /nfs/dbraw/zinc/18/27/21/237182721.db2.gz HCIKLKIEAIQRNG-UHFFFAOYSA-N -2 3 299.660 3.282 20 0 CGADHL O=C(Nc1ccc(F)cc1[O-])c1cc([O-])ccc1Cl ZINC000334482357 374787002 /nfs/dbraw/zinc/78/70/02/374787002.db2.gz WQBLNXPQQXJGEX-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL CCc1ccc(C(=O)N2CCCc3cccc([O-])c32)c([O-])c1 ZINC000188907100 375289815 /nfs/dbraw/zinc/28/98/15/375289815.db2.gz KFHWCONRSHGSNN-UHFFFAOYSA-N -2 3 297.354 3.253 20 0 CGADHL CCc1ccc(C(=O)Nc2cccc([O-])c2F)c([O-])c1 ZINC000188757934 375266057 /nfs/dbraw/zinc/26/60/57/375266057.db2.gz JAOYICQVFLLBJS-UHFFFAOYSA-N -2 3 275.279 3.052 20 0 CGADHL CCC[C@@H](CC)S(=O)(=O)[N-]c1c([O-])cccc1Cl ZINC000641686899 380046153 /nfs/dbraw/zinc/04/61/53/380046153.db2.gz DASHHDUQEGTVGQ-SECBINFHSA-N -2 3 291.800 3.366 20 0 CGADHL CC(=O)c1ccc(-c2nc3ccc([O-])cc3c(=O)[n-]2)cc1F ZINC000436640451 542659138 /nfs/dbraw/zinc/65/91/38/542659138.db2.gz PPKAWLJSHLLOAY-UHFFFAOYSA-N -2 3 298.273 3.050 20 0 CGADHL [O-]c1cccc(Cl)c1-c1nc[n-]c2nc(=S)sc1-2 ZINC001244038497 803155121 /nfs/dbraw/zinc/15/51/21/803155121.db2.gz VETJUMQMXSGHMF-UHFFFAOYSA-N -2 3 295.776 3.401 20 0 CGADHL O=C(Nc1ncccc1[O-])c1cc(Cl)cc(Cl)c1[O-] ZINC001148805588 805211607 /nfs/dbraw/zinc/21/16/07/805211607.db2.gz QLXOZIRFZGIXQU-UHFFFAOYSA-N -2 3 299.113 3.052 20 0 CGADHL Cc1ccc(C(=O)[O-])cc1Nc1cc(F)c([O-])c(F)c1 ZINC001174981373 809223776 /nfs/dbraw/zinc/22/37/76/809223776.db2.gz AJKMHTWDVXVHRG-UHFFFAOYSA-N -2 3 279.242 3.421 20 0 CGADHL Cc1ccc(Nc2cncc(C(=O)[O-])c2)c(Cl)c1[O-] ZINC001175843707 809555235 /nfs/dbraw/zinc/55/52/35/809555235.db2.gz SQENCHKLJUTDFF-UHFFFAOYSA-N -2 3 278.695 3.191 20 0 CGADHL [O-]c1cc(F)cnc1Nc1ccc(Cl)c([O-])c1F ZINC001214796104 815452734 /nfs/dbraw/zinc/45/27/34/815452734.db2.gz GTOXEQGKWVXCHH-UHFFFAOYSA-N -2 3 272.638 3.168 20 0 CGADHL O=C([O-])c1ccccc1Nc1cc(=O)n(-c2ccccc2)[n-]1 ZINC001210966611 814694339 /nfs/dbraw/zinc/69/43/39/814694339.db2.gz PCCWTVZEUBTIJD-UHFFFAOYSA-N -2 3 295.298 3.020 20 0 CGADHL CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OCCCCP(=O)([O-])[O-])C2 ZINC001225021816 816934821 /nfs/dbraw/zinc/93/48/21/816934821.db2.gz IYEJNHRBFOGAKX-BZPMIXESSA-N -2 3 290.340 3.176 20 0 CGADHL CCCC[C@H](CC)C[C@H](C)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233944251 818737599 /nfs/dbraw/zinc/73/75/99/818737599.db2.gz MPWYKCDXXVYLAG-QWRGUYRKSA-N -2 3 292.383 3.020 20 0 CGADHL O=C([O-])c1ccc(-c2ccc3c(c2)[N-]C(=S)C3)s1 ZINC001240849922 821371954 /nfs/dbraw/zinc/37/19/54/821371954.db2.gz ZFEHMILTDRLNQE-UHFFFAOYSA-N -2 3 275.354 3.409 20 0 CGADHL O=C(Nc1cc(F)cc(F)c1[O-])c1cc(Cl)ccc1[O-] ZINC001570464601 961967537 /nfs/dbraw/zinc/96/75/37/961967537.db2.gz JJFULKCBKLFALM-UHFFFAOYSA-N -2 3 299.660 3.282 20 0 CGADHL CCC[C@@H]([N-]c1nc(-c2cccc(Cl)c2)no1)C(=O)[O-] ZINC000263552186 620326475 /nfs/dbraw/zinc/32/64/75/620326475.db2.gz LRABNGDXOSOQEC-SNVBAGLBSA-N -2 3 295.726 3.055 20 0 CGADHL Cc1cc(-c2ccccc2S(=O)(=O)[O-])cc(Cl)c1[O-] ZINC001244538604 803427163 /nfs/dbraw/zinc/42/71/63/803427163.db2.gz NSIJQTIXFMGWFH-UHFFFAOYSA-N -2 3 298.747 3.268 20 0 CGADHL CC(=O)c1cc(C(=O)Nc2ccccc2[S-])ccc1[O-] ZINC001148662559 805204592 /nfs/dbraw/zinc/20/45/92/805204592.db2.gz PAKZJZMRPNEAMN-UHFFFAOYSA-N -2 3 287.340 3.136 20 0 CGADHL O=S(=O)([N-]c1c([O-])ccc2ccccc21)C1CCCC1 ZINC001259801044 807685672 /nfs/dbraw/zinc/68/56/72/807685672.db2.gz URZCGIFQJMKRMA-UHFFFAOYSA-N -2 3 291.372 3.230 20 0 CGADHL COc1cc(C(=O)[O-])ccc1Nc1cccc(Cl)c1[O-] ZINC001174678179 809128185 /nfs/dbraw/zinc/12/81/85/809128185.db2.gz ZBQXCUVMQLWJFD-UHFFFAOYSA-N -2 3 293.706 3.496 20 0 CGADHL O=C([O-])c1ccc(Nc2ccc(-n3ccc(=O)[n-]3)cc2)cc1 ZINC001176714564 809748278 /nfs/dbraw/zinc/74/82/78/809748278.db2.gz PFUBHMLUBVUTDJ-UHFFFAOYSA-N -2 3 295.298 3.020 20 0 CGADHL O=C([O-])c1sccc1Nc1cc([O-])c(F)cc1F ZINC001215394297 815515820 /nfs/dbraw/zinc/51/58/20/815515820.db2.gz SZDVOYCYCUAXAZ-UHFFFAOYSA-N -2 3 271.244 3.174 20 0 CGADHL COc1c(Nc2ccc([O-])c(Cl)c2)cccc1C(=O)[O-] ZINC001211037982 814715298 /nfs/dbraw/zinc/71/52/98/814715298.db2.gz YXGVCQFJLSRMRB-UHFFFAOYSA-N -2 3 293.706 3.496 20 0 CGADHL Cc1c(Nc2ncc(Cl)cc2[O-])cccc1C(=O)[O-] ZINC001216657346 815885880 /nfs/dbraw/zinc/88/58/80/815885880.db2.gz WVSOBXFCSWBAKO-UHFFFAOYSA-N -2 3 278.695 3.191 20 0 CGADHL C[C@H](OCCP(=O)([O-])[O-])c1ccc(Cl)c(Cl)c1 ZINC001224604726 816832998 /nfs/dbraw/zinc/83/29/98/816832998.db2.gz FNXAZVSWAOTXLU-ZETCQYMHSA-N -2 3 299.090 3.249 20 0 CGADHL CCCC[C@H](Oc1[n-]c(=O)nc2cn[n-]c21)[C@@H](C)CCC ZINC001233945133 818738027 /nfs/dbraw/zinc/73/80/27/818738027.db2.gz QTSISYYOPUMEBO-JQWIXIFHSA-N -2 3 292.383 3.020 20 0 CGADHL O=c1[n-]c(-c2cc([O-])cc(Cl)c2)nc2ccccc12 ZINC000352207562 219359719 /nfs/dbraw/zinc/35/97/19/219359719.db2.gz ZKFZLIMPSFGENK-UHFFFAOYSA-N -2 3 272.691 3.361 20 0 CGADHL CCc1cc(C(=O)Nc2cc(C(C)=O)ccc2[O-])ccc1[O-] ZINC000487222671 375208870 /nfs/dbraw/zinc/20/88/70/375208870.db2.gz ACRJGMBHGOPQAD-UHFFFAOYSA-N -2 3 299.326 3.115 20 0 CGADHL COc1ccc(NC(=O)c2ccc([O-])c(Cl)c2)c([O-])c1 ZINC000135414093 542087718 /nfs/dbraw/zinc/08/77/18/542087718.db2.gz NDGUGTFHSSOBOR-UHFFFAOYSA-N -2 3 293.706 3.012 20 0 CGADHL COc1cc([O-])cc(-c2nc3ccc(C)cc3c(=O)[n-]2)c1 ZINC000362592526 382070359 /nfs/dbraw/zinc/07/03/59/382070359.db2.gz NNZTZDUMYCUDKX-UHFFFAOYSA-N -2 3 282.299 3.025 20 0 CGADHL Cc1sc(/C=C\c2cc([O-])cc(F)c2)nc1C(=O)[O-] ZINC000352027849 302879021 /nfs/dbraw/zinc/87/90/21/302879021.db2.gz QMWVOPLCQMTPFU-IHWYPQMZSA-N -2 3 279.292 3.165 20 0 CGADHL Cc1ccc(C(=O)Nc2ccccc2NC(=O)[O-])c([O-])c1 ZINC000740108586 572432175 /nfs/dbraw/zinc/43/21/75/572432175.db2.gz ZQCCMHPJKYJCBS-UHFFFAOYSA-N -2 3 286.287 3.043 20 0 CGADHL O=C([O-])/C=C/c1cnc(/C=C\c2ccc([O-])c(F)c2)s1 ZINC000755601575 626631234 /nfs/dbraw/zinc/63/12/34/626631234.db2.gz POAQOLVVRVIEIB-JGDUWUCISA-N -2 3 291.303 3.256 20 0 CGADHL O=c1cc(Nc2c(F)ccc([O-])c2Cl)nc(Cl)[n-]1 ZINC001250229735 805506655 /nfs/dbraw/zinc/50/66/55/805506655.db2.gz MUOZZUKLIMTVEY-UHFFFAOYSA-N -2 3 290.081 3.077 20 0 CGADHL COc1cc(C(=O)[O-])ccc1Nc1cc([O-])c(F)cc1F ZINC001174677690 809127081 /nfs/dbraw/zinc/12/70/81/809127081.db2.gz PEBNOYDCPCALAN-UHFFFAOYSA-N -2 3 295.241 3.121 20 0 CGADHL O=C([O-])c1cc(Nc2cc(F)c([O-])c(F)c2)ccc1F ZINC001175220439 809312812 /nfs/dbraw/zinc/31/28/12/809312812.db2.gz OQZYKHZLRGYZNP-UHFFFAOYSA-N -2 3 283.205 3.251 20 0 CGADHL COc1ccc(Nc2ccc([O-])c(F)c2F)cc1C(=O)[O-] ZINC001209902933 814194231 /nfs/dbraw/zinc/19/42/31/814194231.db2.gz NESQPTQJXBOXMA-UHFFFAOYSA-N -2 3 295.241 3.121 20 0 CGADHL Cc1c([N-]c2nnc(-c3ccco3)o2)cccc1C(=O)[O-] ZINC001216656817 815885481 /nfs/dbraw/zinc/88/54/81/815885481.db2.gz JWVIKKAKMZZLGA-UHFFFAOYSA-N -2 3 285.259 3.080 20 0 CGADHL CCCC[C@@H](OCCP(=O)([O-])[O-])C1CCCCC1 ZINC001224601975 816830664 /nfs/dbraw/zinc/83/06/64/816830664.db2.gz MTELOFGYABSBDU-CYBMUJFWSA-N -2 3 278.329 3.320 20 0 CGADHL C[C@@H](OCCP(=O)([O-])[O-])c1ccc(Cl)cc1Cl ZINC001224604667 816833273 /nfs/dbraw/zinc/83/32/73/816833273.db2.gz FKMTWTIGZZKTLC-SSDOTTSWSA-N -2 3 299.090 3.249 20 0 CGADHL O=P([O-])([O-])CCCCOC1CCCCCCC1 ZINC001225019533 816934279 /nfs/dbraw/zinc/93/42/79/816934279.db2.gz YAUZEDJIYFASEH-UHFFFAOYSA-N -2 3 264.302 3.074 20 0 CGADHL O=C([O-])c1cccc(-c2ccc3c(c2)[N-]C(=S)C3)c1 ZINC001241361514 821762338 /nfs/dbraw/zinc/76/23/38/821762338.db2.gz BDOMAPGCOZGHAJ-UHFFFAOYSA-N -2 3 269.325 3.347 20 0 CGADHL Cc1ccc(NC(=O)[C@@](C)(CC(=O)[O-])CC(C)C)c([O-])c1 ZINC000634816139 351591099 /nfs/dbraw/zinc/59/10/99/351591099.db2.gz BNYPCAUBPOZKGG-MRXNPFEDSA-N -2 3 293.363 3.166 20 0 CGADHL Cc1sc(/C=C\c2ccc([O-])c(F)c2)nc1C(=O)[O-] ZINC000436783221 237178979 /nfs/dbraw/zinc/17/89/79/237178979.db2.gz LGJVFHYQBSZMMB-HYXAFXHYSA-N -2 3 279.292 3.165 20 0 CGADHL Cc1ccc(NC(=O)c2cc(Cl)ccc2[O-])c([O-])c1 ZINC000040421464 369154521 /nfs/dbraw/zinc/15/45/21/369154521.db2.gz QUYYWMMVTNXVIT-UHFFFAOYSA-N -2 3 277.707 3.312 20 0 CGADHL O=C(Nc1cc(Cl)ccc1[O-])c1c(F)ccc([O-])c1F ZINC000334256225 206265312 /nfs/dbraw/zinc/26/53/12/206265312.db2.gz PAILKGMVJVEIKW-UHFFFAOYSA-N -2 3 299.660 3.282 20 0 CGADHL CCc1ccc(C(=O)Nc2cccc(C(C)=O)c2[O-])c([O-])c1 ZINC000564307944 322026231 /nfs/dbraw/zinc/02/62/31/322026231.db2.gz YQWROJJXQFVWBT-UHFFFAOYSA-N -2 3 299.326 3.115 20 0 CGADHL Cc1cccc(C(=O)Nc2ccc(Cl)cc2[O-])c1[O-] ZINC000436735044 534624764 /nfs/dbraw/zinc/62/47/64/534624764.db2.gz BRPRLZAMOSXDNE-UHFFFAOYSA-N -2 3 277.707 3.312 20 0 CGADHL Cc1cc([N-]c2nnc(-c3ccco3)o2)ccc1C(=O)[O-] ZINC001211648138 814925054 /nfs/dbraw/zinc/92/50/54/814925054.db2.gz SXVOIPVOBFTSBK-UHFFFAOYSA-N -2 3 285.259 3.080 20 0 CGADHL Cc1cc(Nc2c(F)cc([O-])cc2F)ccc1C(=O)[O-] ZINC001211660630 814928587 /nfs/dbraw/zinc/92/85/87/814928587.db2.gz DSLTUOSNKUEBMV-UHFFFAOYSA-N -2 3 279.242 3.421 20 0 CGADHL COc1ccc(Nc2cccc([O-])c2Cl)cc1C(=O)[O-] ZINC001209903908 814195770 /nfs/dbraw/zinc/19/57/70/814195770.db2.gz YKWCVJRWGNSHQG-UHFFFAOYSA-N -2 3 293.706 3.496 20 0 CGADHL O=C([O-])Cc1cccc(Nc2cccc([O-])c2Cl)c1 ZINC001210070771 814273008 /nfs/dbraw/zinc/27/30/08/814273008.db2.gz AHBICLHGHSDDQO-UHFFFAOYSA-N -2 3 277.707 3.416 20 0 CGADHL CCCC[C@H](CCC)OCCCCP(=O)([O-])[O-] ZINC001225019068 816934066 /nfs/dbraw/zinc/93/40/66/816934066.db2.gz QBUUJFXKKCMJDS-LBPRGKRZSA-N -2 3 266.318 3.320 20 0 CGADHL CCCCCC[C@H](C)OCCCCP(=O)([O-])[O-] ZINC001225022351 816934223 /nfs/dbraw/zinc/93/42/23/816934223.db2.gz NPHJGJFYEKBJAU-LBPRGKRZSA-N -2 3 266.318 3.320 20 0 CGADHL O=C(Nc1cccc([O-])c1F)c1c([O-])cccc1Cl ZINC001319721771 933922036 /nfs/dbraw/zinc/92/20/36/933922036.db2.gz MQRFJZSOZVJKPJ-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL O=C(Nc1cc(F)ccc1[O-])c1ccc(Cl)cc1[O-] ZINC000436598924 237140716 /nfs/dbraw/zinc/14/07/16/237140716.db2.gz CHTSYKPXXDJPKQ-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL O=S(=O)([N-]c1ccc(Cl)cc1[O-])C1=CCCCC1 ZINC000295673540 372871005 /nfs/dbraw/zinc/87/10/05/372871005.db2.gz BOBAZOBHGWJGMV-UHFFFAOYSA-N -2 3 287.768 3.245 20 0 CGADHL O=C([O-])CCC1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000328445746 542444623 /nfs/dbraw/zinc/44/46/23/542444623.db2.gz IQHFRBSKZCWRNI-UHFFFAOYSA-N -2 3 297.782 3.122 20 0 CGADHL CC(C)(C)c1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc1 ZINC000670369996 543151875 /nfs/dbraw/zinc/15/18/75/543151875.db2.gz PQDDMWYVKPMOIH-TWGQIWQCSA-N -2 3 298.342 3.348 20 0 CGADHL O=C(Nc1ccc([O-])c(Cl)c1)c1cc(F)c([O-])c(F)c1 ZINC000186901258 619073558 /nfs/dbraw/zinc/07/35/58/619073558.db2.gz DEKRNIGXIFFKGH-UHFFFAOYSA-N -2 3 299.660 3.282 20 0 CGADHL CCC(C)(C)CCS(=O)(=O)[N-]c1c([O-])cccc1F ZINC000872354885 634116032 /nfs/dbraw/zinc/11/60/32/634116032.db2.gz LXAQFSVWXMMMCE-UHFFFAOYSA-N -2 3 289.372 3.099 20 0 CGADHL CSc1ccccc1[N-]C(=S)Nc1ncccc1[O-] ZINC001249688240 805213041 /nfs/dbraw/zinc/21/30/41/805213041.db2.gz MQPAFJRYHVEEDL-UHFFFAOYSA-N -2 3 291.401 3.318 20 0 CGADHL Cc1cccc([O-])c1C(=O)Nc1ccccc1[S-] ZINC001188649163 810498213 /nfs/dbraw/zinc/49/82/13/810498213.db2.gz SNFJJOXAYBXHFV-UHFFFAOYSA-N -2 3 259.330 3.242 20 0 CGADHL COc1ccc(Nc2cc([O-])c(F)cc2F)cc1C(=O)[O-] ZINC001209903491 814195690 /nfs/dbraw/zinc/19/56/90/814195690.db2.gz VQWMYUPDDUSEJT-UHFFFAOYSA-N -2 3 295.241 3.121 20 0 CGADHL O=C([O-])Cc1cccc(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001210071334 814272761 /nfs/dbraw/zinc/27/27/61/814272761.db2.gz JGFIQYUWLPJDKP-UHFFFAOYSA-N -2 3 279.242 3.041 20 0 CGADHL COc1c(Nc2c(F)cc([O-])cc2F)cccc1C(=O)[O-] ZINC001211039999 814716353 /nfs/dbraw/zinc/71/63/53/814716353.db2.gz WJGOKWCLLGYVNE-UHFFFAOYSA-N -2 3 295.241 3.121 20 0 CGADHL Cc1cc(C(=O)[O-])ccc1[N-]c1nnc(-c2ccco2)o1 ZINC001211616585 814918849 /nfs/dbraw/zinc/91/88/49/814918849.db2.gz PLDZKDSRLJFWBJ-UHFFFAOYSA-N -2 3 285.259 3.080 20 0 CGADHL CCCC[C@@H](CC)[C@@H](CC)OCCP(=O)([O-])[O-] ZINC001224602247 816831033 /nfs/dbraw/zinc/83/10/33/816831033.db2.gz PDDRBKGVGQXQSI-VXGBXAGGSA-N -2 3 266.318 3.176 20 0 CGADHL CCCC[C@@H](OCCP(=O)([O-])[O-])[C@H](C)CCC ZINC001224602276 816831099 /nfs/dbraw/zinc/83/10/99/816831099.db2.gz PGBSXXRZDWLLSI-VXGBXAGGSA-N -2 3 266.318 3.176 20 0 CGADHL CCCCCC1CCC(OCCP(=O)([O-])[O-])CC1 ZINC001224607769 816833500 /nfs/dbraw/zinc/83/35/00/816833500.db2.gz VGROOTMIGSHBDY-UHFFFAOYSA-N -2 3 278.329 3.320 20 0 CGADHL CCC[C@H](C)[C@H](CC)OCCCCP(=O)([O-])[O-] ZINC001225019609 816934155 /nfs/dbraw/zinc/93/41/55/816934155.db2.gz YTZBQAITWMBJCG-RYUDHWBXSA-N -2 3 266.318 3.176 20 0 CGADHL C[C@H](Oc1[n-]c(=S)ncc1C1CC1)C1=CC=C[CH]1 ZINC001226120775 817277998 /nfs/dbraw/zinc/27/79/98/817277998.db2.gz UDFGJEZRDZWVNG-VIFPVBQESA-N -2 3 259.354 3.110 20 0 CGADHL O=C(Nc1cccc(F)c1[O-])c1ncc2ccccc2c1[O-] ZINC001557956688 938212643 /nfs/dbraw/zinc/21/26/43/938212643.db2.gz MUZFOUBXHFQPKN-UHFFFAOYSA-N -2 3 298.273 3.037 20 0 CGADHL O=C([O-])c1ccccc1CNCc1cccc([O-])c1Cl ZINC001595254950 949582126 /nfs/dbraw/zinc/58/21/26/949582126.db2.gz AMMTXFMGIHOWCH-UHFFFAOYSA-N -2 3 291.734 3.034 20 0 CGADHL CC(C)(C)CC[C@H](NCc1cccc([O-])c1Cl)C(=O)[O-] ZINC000414660764 380356529 /nfs/dbraw/zinc/35/65/29/380356529.db2.gz PTDLZUGJSJYHOB-NSHDSACASA-N -2 3 299.798 3.415 20 0 CGADHL O=C([O-])c1cnc(C=Cc2csc3ccccc23)[n-]c1=O ZINC000670369866 543152067 /nfs/dbraw/zinc/15/20/67/543152067.db2.gz HABQTBASUOBSCF-WAYWQWQTSA-N -2 3 298.323 3.266 20 0 CGADHL Cc1ccc([O-])c(-c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000235997288 287650871 /nfs/dbraw/zinc/65/08/71/287650871.db2.gz PLNGXBJSGQNRNK-UHFFFAOYSA-N -2 3 286.262 3.262 20 0 CGADHL O=C(Nc1c([O-])cccc1Cl)c1ccccc1[O-] ZINC000552433449 289188927 /nfs/dbraw/zinc/18/89/27/289188927.db2.gz JXXFAFRXRBATIS-UHFFFAOYSA-N -2 3 263.680 3.004 20 0 CGADHL Cc1cc(-c2cnc(C(=O)[O-])c(C)c2)cc(Cl)c1[O-] ZINC001244550718 803434225 /nfs/dbraw/zinc/43/42/25/803434225.db2.gz JGVBWFGDUHTWOV-UHFFFAOYSA-N -2 3 277.707 3.423 20 0 CGADHL O=C([O-])c1cc(Nc2cc([O-])c(F)cc2F)ccc1F ZINC001175219851 809313437 /nfs/dbraw/zinc/31/34/37/809313437.db2.gz GCCQFVVXKUUVAY-UHFFFAOYSA-N -2 3 283.205 3.251 20 0 CGADHL O=C([O-])/C=C/c1ccc(Nc2ncc(Cl)cc2[O-])cc1 ZINC001176589824 809725308 /nfs/dbraw/zinc/72/53/08/809725308.db2.gz OIUALYZZEINRAV-ZZXKWVIFSA-N -2 3 290.706 3.282 20 0 CGADHL O=C(Nc1ccc(F)c([O-])c1)c1cccc([S-])c1 ZINC001186152548 810316932 /nfs/dbraw/zinc/31/69/32/810316932.db2.gz NCXARMIRWXOCAD-UHFFFAOYSA-N -2 3 263.293 3.072 20 0 CGADHL O=C(Nc1ccc(F)c([O-])c1)c1cc(Cl)c(F)cc1[O-] ZINC001196466766 811346273 /nfs/dbraw/zinc/34/62/73/811346273.db2.gz JWFDLFRQBIBEAX-UHFFFAOYSA-N -2 3 299.660 3.282 20 0 CGADHL O=P([O-])([O-])CCCCO[C@@H](c1ccccc1)C1CC1 ZINC001225022296 816934780 /nfs/dbraw/zinc/93/47/80/816934780.db2.gz MIVUNIQYOHYQRV-AWEZNQCLSA-N -2 3 284.292 3.112 20 0 CGADHL Cc1ccc(NC(=O)CC2(C(=O)[O-])CCCCC2)c([O-])c1 ZINC000013469925 541853477 /nfs/dbraw/zinc/85/34/77/541853477.db2.gz UPCMWDUIAMSEAT-UHFFFAOYSA-N -2 3 291.347 3.064 20 0 CGADHL Cc1ccc([O-])c(C(=O)Nc2c([O-])cccc2Cl)c1 ZINC000567314590 322158676 /nfs/dbraw/zinc/15/86/76/322158676.db2.gz MAYVNBKCOIHOMD-UHFFFAOYSA-N -2 3 277.707 3.312 20 0 CGADHL O=C(Nc1cc(F)cc(Cl)c1[O-])c1cccc([O-])c1 ZINC000336062756 534820812 /nfs/dbraw/zinc/82/08/12/534820812.db2.gz VILQZELYZYPTAT-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL COc1cc(Nc2ccc([O-])c(Cl)c2)ccc1C(=O)[O-] ZINC001174684969 809129903 /nfs/dbraw/zinc/12/99/03/809129903.db2.gz CXSUVNPSIAPZHZ-UHFFFAOYSA-N -2 3 293.706 3.496 20 0 CGADHL O=C([O-])c1cc(Nc2ncc(Cl)cc2[O-])ccc1F ZINC001175215581 809311573 /nfs/dbraw/zinc/31/15/73/809311573.db2.gz MKWQTIUPBNMRQM-UHFFFAOYSA-N -2 3 282.658 3.022 20 0 CGADHL O=C([O-])c1cc(-c2ccc3c(c2)[N-]C(=S)C3)cs1 ZINC001206303538 813280335 /nfs/dbraw/zinc/28/03/35/813280335.db2.gz NCNBWGXXPABWPJ-UHFFFAOYSA-N -2 3 275.354 3.409 20 0 CGADHL O=C([O-])c1cc(F)cc(Nc2ncc(Cl)cc2[O-])c1 ZINC001209884956 814186866 /nfs/dbraw/zinc/18/68/66/814186866.db2.gz FUFRSFFXJBCVPB-UHFFFAOYSA-N -2 3 282.658 3.022 20 0 CGADHL Cc1ccc(Nc2ccc(C(=O)[O-])nc2)c(Cl)c1[O-] ZINC001210175866 814321379 /nfs/dbraw/zinc/32/13/79/814321379.db2.gz QIBZGMSLABFVPV-UHFFFAOYSA-N -2 3 278.695 3.191 20 0 CGADHL COc1c(Nc2cc([O-])c(F)cc2F)cccc1C(=O)[O-] ZINC001211037120 814714028 /nfs/dbraw/zinc/71/40/28/814714028.db2.gz HKZBFGCVRHVXMC-UHFFFAOYSA-N -2 3 295.241 3.121 20 0 CGADHL Cc1ccc(Nc2cc([O-])c(F)cc2F)cc1C(=O)[O-] ZINC001211603898 814917149 /nfs/dbraw/zinc/91/71/49/814917149.db2.gz JFFDHSQRCGHUIX-UHFFFAOYSA-N -2 3 279.242 3.421 20 0 CGADHL C[C@H](OCCCCP(=O)([O-])[O-])c1ccc(Cl)cc1 ZINC001225023053 816934703 /nfs/dbraw/zinc/93/47/03/816934703.db2.gz TUIPNGZKCHDEQL-JTQLQIEISA-N -2 3 292.699 3.376 20 0 CGADHL O=C(Nc1cc([O-])c(F)cc1F)c1ccc([O-])c(Cl)c1 ZINC001450904971 937387709 /nfs/dbraw/zinc/38/77/09/937387709.db2.gz VVIKKLZQYVCKLK-UHFFFAOYSA-N -2 3 299.660 3.282 20 0 CGADHL O=C([O-])c1ccc(CNCc2cccc([O-])c2Cl)cc1 ZINC001608887225 970416883 /nfs/dbraw/zinc/41/68/83/970416883.db2.gz JDLHNYFFFZKLST-UHFFFAOYSA-N -2 3 291.734 3.034 20 0 CGADHL O=C(Nc1ccccc1[O-])c1ccc([O-])c(Cl)c1 ZINC000048388996 369346221 /nfs/dbraw/zinc/34/62/21/369346221.db2.gz OCOBRGALFMIFII-UHFFFAOYSA-N -2 3 263.680 3.004 20 0 CGADHL CCC[C@@H](CC)S(=O)(=O)[N-]c1ccc(Cl)cc1[O-] ZINC000650191101 397799391 /nfs/dbraw/zinc/79/93/91/397799391.db2.gz AIGQTVNVQUZXHS-SNVBAGLBSA-N -2 3 291.800 3.366 20 0 CGADHL O=C(Nc1cccc(Cl)c1[O-])c1cc(F)ccc1[O-] ZINC000080027646 287062640 /nfs/dbraw/zinc/06/26/40/287062640.db2.gz GJSRIEBGAGMPOR-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL O=C(Nc1cccc(Cl)c1[O-])c1ccc([O-])c(F)c1 ZINC000681058762 543762196 /nfs/dbraw/zinc/76/21/96/543762196.db2.gz DZYVGUUXIYQOLM-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL CC(C)c1nc(/C=C/c2ccc([O-])cc2)ncc1C(=O)[O-] ZINC000172555145 528257802 /nfs/dbraw/zinc/25/78/02/528257802.db2.gz ZNIWGDXDBXHRCP-VMPITWQZSA-N -2 3 284.315 3.174 20 0 CGADHL COc1cc(C(=O)[O-])ccc1Nc1ccc([O-])c(F)c1F ZINC001174677388 809127117 /nfs/dbraw/zinc/12/71/17/809127117.db2.gz OADWNSGVPYKTRE-UHFFFAOYSA-N -2 3 295.241 3.121 20 0 CGADHL C[C@@H](OCCCCP(=O)([O-])[O-])c1csc(Cl)c1 ZINC001225023525 816933701 /nfs/dbraw/zinc/93/37/01/816933701.db2.gz XDFIHIRZROJHDT-MRVPVSSYSA-N -2 3 298.728 3.437 20 0 CGADHL COc1ccc(C(=O)[O-])cc1Nc1cccc([O-])c1Cl ZINC001210259524 814371050 /nfs/dbraw/zinc/37/10/50/814371050.db2.gz UJSONQFRFKYPIJ-UHFFFAOYSA-N -2 3 293.706 3.496 20 0 CGADHL Cc1cc(Nc2ccc([O-])c(F)c2F)cc(C(=O)[O-])c1 ZINC001211542770 814904513 /nfs/dbraw/zinc/90/45/13/814904513.db2.gz PHVYLYAGPFINPV-UHFFFAOYSA-N -2 3 279.242 3.421 20 0 CGADHL Cc1ccc(Nc2ccc([O-])c(F)c2F)cc1C(=O)[O-] ZINC001211601827 814916070 /nfs/dbraw/zinc/91/60/70/814916070.db2.gz NEHKDAZIFINRIX-UHFFFAOYSA-N -2 3 279.242 3.421 20 0 CGADHL C[C@@H]1C[C@@H](OCCCCP(=O)([O-])[O-])CC(C)(C)C1 ZINC001225021427 816933932 /nfs/dbraw/zinc/93/39/32/816933932.db2.gz HGRNYGQIVQDAJZ-VXGBXAGGSA-N -2 3 278.329 3.176 20 0 CGADHL COc1ccc([O-])c(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000109091576 345940000 /nfs/dbraw/zinc/94/00/00/345940000.db2.gz IMWMTTZXTROGRR-UHFFFAOYSA-N -2 3 293.706 3.012 20 0 CGADHL O=C(Nc1cc(Cl)ccc1[O-])c1ccc([O-])cc1F ZINC000181168166 374088567 /nfs/dbraw/zinc/08/85/67/374088567.db2.gz NOOIETLOBVZCTH-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL O=C(Nc1cc(F)ccc1[O-])c1cc(F)c([O-])c(Cl)c1 ZINC000184521573 374533918 /nfs/dbraw/zinc/53/39/18/374533918.db2.gz TYNPUXNGDMQKRO-UHFFFAOYSA-N -2 3 299.660 3.282 20 0 CGADHL Cc1ccc([O-])c(C(=O)Nc2cc(F)cc(Cl)c2[O-])c1 ZINC000474437114 375111127 /nfs/dbraw/zinc/11/11/27/375111127.db2.gz XUUNWDDPKFSSBT-UHFFFAOYSA-N -2 3 295.697 3.451 20 0 CGADHL O=C(Nc1cccc(F)c1[O-])c1ccc([O-])c(Cl)c1 ZINC001171632904 808109712 /nfs/dbraw/zinc/10/97/12/808109712.db2.gz WDKIQWJOQKISSG-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL O=C([O-])Cc1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001174952527 809213405 /nfs/dbraw/zinc/21/34/05/809213405.db2.gz UPRXPCLJGPUQHK-UHFFFAOYSA-N -2 3 279.242 3.041 20 0 CGADHL CC(C)C[C@H](OCCCCP(=O)([O-])[O-])C(C)C ZINC001225018805 816934255 /nfs/dbraw/zinc/93/42/55/816934255.db2.gz IBTYZPANBKVAIJ-LBPRGKRZSA-N -2 3 266.318 3.032 20 0 CGADHL CCC[C@@H]1CCCC[C@@H]1OCCCCP(=O)([O-])[O-] ZINC001225018638 816932237 /nfs/dbraw/zinc/93/22/37/816932237.db2.gz DGDJMBKNLXJMSG-OLZOCXBDSA-N -2 3 278.329 3.320 20 0 CGADHL [O-]c1c(F)cc(F)cc1-c1nc[n-]c2nc(=S)sc1-2 ZINC001243505405 823423474 /nfs/dbraw/zinc/42/34/74/823423474.db2.gz YIJZNXAIPBSSHP-UHFFFAOYSA-N -2 3 297.311 3.351 20 0 CGADHL CCc1[n-]n(-c2cccc(C(=O)[O-])c2C)c(=O)c1C(C)C ZINC000634632888 351554410 /nfs/dbraw/zinc/55/44/10/351554410.db2.gz DEVMIFRSDXVDGF-AWEZNQCLSA-N -2 3 288.347 3.078 20 0 CGADHL Cc1cc(C)cc(-c2nc3ccc([O-])cc3c(=O)[n-]2)c1 ZINC000351860499 542552113 /nfs/dbraw/zinc/55/21/13/542552113.db2.gz ITYLJPRJCZSKPW-UHFFFAOYSA-N -2 3 266.300 3.325 20 0 CGADHL O=C(Nc1ccccc1[O-])c1ccc(C(F)(F)F)c([O-])c1 ZINC000684873021 544035147 /nfs/dbraw/zinc/03/51/47/544035147.db2.gz PMIQCLRVGSWXDN-UHFFFAOYSA-N -2 3 297.232 3.369 20 0 CGADHL Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1[S-] ZINC001258925962 807673723 /nfs/dbraw/zinc/67/37/23/807673723.db2.gz HXUOIVQAPBOALB-UHFFFAOYSA-N -2 3 297.376 3.224 20 0 CGADHL Cc1ccc(C(=O)[O-])cc1Nc1c(F)cc([O-])cc1F ZINC001174984342 809226479 /nfs/dbraw/zinc/22/64/79/809226479.db2.gz KVUVKMQTWMAMLB-UHFFFAOYSA-N -2 3 279.242 3.421 20 0 CGADHL CCCCC[C@@H](CCCC)OCCP(=O)([O-])[O-] ZINC001224602906 816831181 /nfs/dbraw/zinc/83/11/81/816831181.db2.gz UECWGFZXKLEBRX-GFCCVEGCSA-N -2 3 266.318 3.320 20 0 CGADHL C[C@H](Oc1cc(O)cc([O-])c1Br)C1=CC=C[CH]1 ZINC001229096847 927320578 /nfs/dbraw/zinc/32/05/78/927320578.db2.gz KOOZRAJLTNAOFG-QMMMGPOBSA-N -2 3 296.140 3.328 20 0 CGADHL O=C(Nc1cccc([O-])c1F)c1ncc2ccccc2c1[O-] ZINC001545835955 937247964 /nfs/dbraw/zinc/24/79/64/937247964.db2.gz WBQNHCBUGSCXHO-UHFFFAOYSA-N -2 3 298.273 3.037 20 0 CGADHL O=C([O-])CCc1cccc(NCc2ccc([O-])c(F)c2)c1 ZINC001595066496 951551929 /nfs/dbraw/zinc/55/19/29/951551929.db2.gz MRBAOWDIQXZTHH-UHFFFAOYSA-N -2 3 289.306 3.161 20 0 CGADHL O=C(Nc1cccc([O-])c1F)c1ccc([O-])c(Cl)c1 ZINC001566435377 960932285 /nfs/dbraw/zinc/93/22/85/960932285.db2.gz FHTQYJCPPXCUEK-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL O=C([O-])CC1(CC(=O)Nc2cc(Cl)ccc2[O-])CCC1 ZINC000643341293 380283839 /nfs/dbraw/zinc/28/38/39/380283839.db2.gz FAUHOBOXEDUTFF-UHFFFAOYSA-N -2 3 297.738 3.019 20 0 CGADHL O=c1[n-]c(-c2cnc3ccsc3c2)nc2ccc([O-])cc12 ZINC000436924076 542659025 /nfs/dbraw/zinc/65/90/25/542659025.db2.gz FBDSVRQAHUAVFS-UHFFFAOYSA-N -2 3 295.323 3.318 20 0 CGADHL O=C([O-])c1cnc(C=Cc2csc3ccccc23)[n-]c1=O ZINC000670369865 543151674 /nfs/dbraw/zinc/15/16/74/543151674.db2.gz HABQTBASUOBSCF-AATRIKPKSA-N -2 3 298.323 3.266 20 0 CGADHL O=C(Nc1cccc([O-])c1F)c1ccc(Cl)cc1[O-] ZINC000180019241 327804404 /nfs/dbraw/zinc/80/44/04/327804404.db2.gz FBYMAEYYWCMGRA-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL Cc1ccc(C(=O)Nc2cccc(Cl)c2[O-])c([O-])c1O ZINC000182913628 625037422 /nfs/dbraw/zinc/03/74/22/625037422.db2.gz LLJSLFOOGHZMCE-UHFFFAOYSA-N -2 3 293.706 3.018 20 0 CGADHL O=C(Nc1c([O-])cccc1Cl)c1cc(F)cc(F)c1[O-] ZINC001141469024 804643709 /nfs/dbraw/zinc/64/37/09/804643709.db2.gz GJYVBSLSLUJLEX-UHFFFAOYSA-N -2 3 299.660 3.282 20 0 CGADHL COc1cc(C(=O)[O-])ccc1Nc1ccc([O-])c(Cl)c1 ZINC001174677439 809127269 /nfs/dbraw/zinc/12/72/69/809127269.db2.gz XMZBSTDNTSQFBZ-UHFFFAOYSA-N -2 3 293.706 3.496 20 0 CGADHL O=S(=O)([O-])c1ccc(Nc2cccc(Cl)c2[O-])cc1 ZINC001210222870 814351330 /nfs/dbraw/zinc/35/13/30/814351330.db2.gz BVIBSVJOAQHCHL-UHFFFAOYSA-N -2 3 299.735 3.036 20 0 CGADHL Cc1c(Nc2cc([O-])c(F)cc2F)cccc1C(=O)[O-] ZINC001216661801 815888993 /nfs/dbraw/zinc/88/89/93/815888993.db2.gz RFGBXJNAEJXYSI-UHFFFAOYSA-N -2 3 279.242 3.421 20 0 CGADHL O=C([O-])c1ccccc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001242881258 823163706 /nfs/dbraw/zinc/16/37/06/823163706.db2.gz GIDGSBLGOWLPOU-UHFFFAOYSA-N -2 3 269.325 3.347 20 0 CGADHL CCCC/C=C/[C@H](C)OCCCCP(=O)([O-])[O-] ZINC001225018793 816932265 /nfs/dbraw/zinc/93/22/65/816932265.db2.gz HSFKYEICBFFALT-LZGFCCKTSA-N -2 3 264.302 3.096 20 0 CGADHL CCC[C@@H]1CCCC[C@H]1OCCCCP(=O)([O-])[O-] ZINC001225018637 816932857 /nfs/dbraw/zinc/93/28/57/816932857.db2.gz DGDJMBKNLXJMSG-CHWSQXEVSA-N -2 3 278.329 3.320 20 0 CGADHL CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCCCCP(=O)([O-])[O-] ZINC001225019064 816934933 /nfs/dbraw/zinc/93/49/33/816934933.db2.gz PZCSOOIDZOEIDC-MCIONIFRSA-N -2 3 292.356 3.422 20 0 CGADHL O=C(Cc1ccc([O-])cc1Cl)Nc1ccc(F)cc1[O-] ZINC000357409056 381147385 /nfs/dbraw/zinc/14/73/85/381147385.db2.gz YWHZKIXPKQGTHE-UHFFFAOYSA-N -2 3 295.697 3.072 20 0 CGADHL CC(C)Oc1ccc(-c2nc3ccc([O-])cc3c(=O)[n-]2)cc1 ZINC000351863482 542551825 /nfs/dbraw/zinc/55/18/25/542551825.db2.gz UCTVTPWYCJDWQY-UHFFFAOYSA-N -2 3 296.326 3.083 20 0 CGADHL Cc1cccc2nc(-c3ccc([O-])c(F)c3)[n-]c(=O)c12 ZINC000436697444 542658711 /nfs/dbraw/zinc/65/87/11/542658711.db2.gz NDGVVUDFCBCUIW-UHFFFAOYSA-N -2 3 270.263 3.156 20 0 CGADHL [O-]c1ccc(-c2noc(-c3cc(F)ccc3[O-])n2)cc1F ZINC000236582522 287651320 /nfs/dbraw/zinc/65/13/20/287651320.db2.gz IGONZBAFNCJVOY-UHFFFAOYSA-N -2 3 290.225 3.093 20 0 CGADHL O=C(Nc1cc(F)ccc1[O-])c1ccc([O-])c(Cl)c1 ZINC000174868804 335167916 /nfs/dbraw/zinc/16/79/16/335167916.db2.gz JYPJHRLCVWDJSX-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL O=C([O-])c1ccc(C(=O)Nc2cc(Cl)ccc2[O-])s1 ZINC000740115343 572432907 /nfs/dbraw/zinc/43/29/07/572432907.db2.gz VDBRZRMUNNYLHU-UHFFFAOYSA-N -2 3 297.719 3.058 20 0 CGADHL Cc1ccc(C(=O)[O-])cc1[N-]c1nnc(-c2ccco2)o1 ZINC001174982113 809224756 /nfs/dbraw/zinc/22/47/56/809224756.db2.gz VOQZJUAETGTCHO-UHFFFAOYSA-N -2 3 285.259 3.080 20 0 CGADHL O=C([O-])c1ccc(Nc2ccc([O-])c(F)c2F)cc1F ZINC001175157093 809291848 /nfs/dbraw/zinc/29/18/48/809291848.db2.gz MKDJLEGPWWIPMH-UHFFFAOYSA-N -2 3 283.205 3.251 20 0 CGADHL O=P([O-])([O-])CCO[C@H]1CCCC[C@@H]1C1CCCCC1 ZINC001224602179 816830722 /nfs/dbraw/zinc/83/07/22/816830722.db2.gz OUXHMVLJTABFQA-KGLIPLIRSA-N -2 3 290.340 3.320 20 0 CGADHL CCCC[C@@H](Oc1[n-]c(=O)nc2cn[n-]c21)[C@@H](C)CCC ZINC001233945128 818737832 /nfs/dbraw/zinc/73/78/32/818737832.db2.gz QTSISYYOPUMEBO-CMPLNLGQSA-N -2 3 292.383 3.020 20 0 CGADHL CCc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2C)c([O-])c1 ZINC001597502830 988068844 /nfs/dbraw/zinc/06/88/44/988068844.db2.gz GYJGAOOCYJGPDA-UHFFFAOYSA-N -2 3 299.326 3.214 20 0 CGADHL O=C(Nc1cc(F)ccc1[O-])c1cc(Cl)ccc1[O-] ZINC000436604938 237144659 /nfs/dbraw/zinc/14/46/59/237144659.db2.gz OQRDNOIRMROTDH-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL CCC[C@H](CC)S(=O)(=O)[N-]c1c([O-])cccc1Cl ZINC000641686900 380045832 /nfs/dbraw/zinc/04/58/32/380045832.db2.gz DASHHDUQEGTVGQ-VIFPVBQESA-N -2 3 291.800 3.366 20 0 CGADHL O=c1[n-]c(-c2cc(F)c(F)c(F)c2)nc2ccc([O-])cc12 ZINC000436926442 542658429 /nfs/dbraw/zinc/65/84/29/542658429.db2.gz LLDYMQRGVGVPDY-UHFFFAOYSA-N -2 3 292.216 3.125 20 0 CGADHL CCCC[C@@H](CC)C[C@@H](C)OCCP(=O)([O-])[O-] ZINC001224601319 816831511 /nfs/dbraw/zinc/83/15/11/816831511.db2.gz GGZKVWYYBKAHJQ-VXGBXAGGSA-N -2 3 266.318 3.176 20 0 CGADHL CC[C@H](C)CC[C@H](C)OCCCCP(=O)([O-])[O-] ZINC001225018684 816932568 /nfs/dbraw/zinc/93/25/68/816932568.db2.gz FJJXWXCTTMXWEM-RYUDHWBXSA-N -2 3 266.318 3.176 20 0 CGADHL CCCCCC[C@H](CCC)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233940468 818736298 /nfs/dbraw/zinc/73/62/98/818736298.db2.gz WZWGCDVWWJVALZ-NSHDSACASA-N -2 3 292.383 3.164 20 0 CGADHL O=c1cc(C=Cc2cc(F)c([O-])c(F)c2)nc(C2CC2)[n-]1 ZINC000436934942 237219641 /nfs/dbraw/zinc/21/96/41/237219641.db2.gz UUYYMVDQSCNUPA-DAFODLJHSA-N -2 3 290.269 3.214 20 0 CGADHL O=C(Nc1ccc(Cl)cc1[O-])c1cccc([O-])c1 ZINC000182912758 374340565 /nfs/dbraw/zinc/34/05/65/374340565.db2.gz YBUQZRRIDCYDTD-UHFFFAOYSA-N -2 3 263.680 3.004 20 0 CGADHL O=C(Nc1cc(Cl)ccc1[O-])c1c([O-])cc(F)cc1F ZINC000049449101 416472483 /nfs/dbraw/zinc/47/24/83/416472483.db2.gz MDPNYRIIABSNCP-UHFFFAOYSA-N -2 3 299.660 3.282 20 0 CGADHL Cc1cc(=O)[n-]c(C=Cc2ccc([O-])c(Cl)c2)n1 ZINC000436783009 534016290 /nfs/dbraw/zinc/01/62/90/534016290.db2.gz KHUGAUDZIUSFBA-HYXAFXHYSA-N -2 3 262.696 3.020 20 0 CGADHL Cc1nsc([N-]c2c(F)ccc([O-])c2Cl)n1 ZINC001250228013 805504704 /nfs/dbraw/zinc/50/47/04/805504704.db2.gz HGEOJQWJLCAIEP-UHFFFAOYSA-N -2 3 259.693 3.088 20 0 CGADHL NCc1nn(-c2cc([S-])cc([S-])c2)c2ccccc12 ZINC001167701664 807228361 /nfs/dbraw/zinc/22/83/61/807228361.db2.gz RGNWQBASVGWWMP-UHFFFAOYSA-N -2 3 287.413 3.062 20 0 CGADHL O=C([O-])c1ccc(Nc2cc(F)c(F)cc2[O-])s1 ZINC001174809986 809168809 /nfs/dbraw/zinc/16/88/09/809168809.db2.gz YMQMHORLCYUKHE-UHFFFAOYSA-N -2 3 271.244 3.174 20 0 CGADHL O=C([O-])Cc1ccc(Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001174953908 809213634 /nfs/dbraw/zinc/21/36/34/809213634.db2.gz SQCYXSRGFURWRB-UHFFFAOYSA-N -2 3 279.242 3.041 20 0 CGADHL O=C([O-])c1cc(Nc2cccc(Cl)c2[O-])cnc1F ZINC001215109680 815483757 /nfs/dbraw/zinc/48/37/57/815483757.db2.gz KWWBQGSLRYCABZ-UHFFFAOYSA-N -2 3 282.658 3.022 20 0 CGADHL Cc1c(C(=O)[O-])ccc(Nc2ncc(F)cc2[O-])c1Cl ZINC001215691477 815559483 /nfs/dbraw/zinc/55/94/83/815559483.db2.gz KNZBJAONWDGGLH-UHFFFAOYSA-N -2 3 296.685 3.330 20 0 CGADHL O=C([O-])c1cccc(Nc2c(F)cc([O-])cc2F)c1F ZINC001210242682 814362127 /nfs/dbraw/zinc/36/21/27/814362127.db2.gz ZSQJUQVRPIECBQ-UHFFFAOYSA-N -2 3 283.205 3.251 20 0 CGADHL Cc1cc(Nc2cc(F)c([O-])c(F)c2)cc(C(=O)[O-])c1 ZINC001211545174 814905358 /nfs/dbraw/zinc/90/53/58/814905358.db2.gz VXDBTOSVXGMWTN-UHFFFAOYSA-N -2 3 279.242 3.421 20 0 CGADHL O=C(Nc1cc(F)cc(F)c1[O-])c1c([O-])cccc1Cl ZINC001570465652 961974351 /nfs/dbraw/zinc/97/43/51/961974351.db2.gz JAZYFEYIMPIMTP-UHFFFAOYSA-N -2 3 299.660 3.282 20 0 CGADHL Cc1cc(=O)[n-]c(C=Cc2cccc(C(=O)[O-])c2Cl)n1 ZINC000339116459 376689156 /nfs/dbraw/zinc/68/91/56/376689156.db2.gz LXAUGSRMORPXKC-WAYWQWQTSA-N -2 3 290.706 3.013 20 0 CGADHL CC(C)c1ccc(-c2nc3ccc([O-])cc3c(=O)[n-]2)cn1 ZINC000345743130 542506919 /nfs/dbraw/zinc/50/69/19/542506919.db2.gz VRSGOWJRCBYGHS-UHFFFAOYSA-N -2 3 281.315 3.226 20 0 CGADHL COc1cc(-c2nc3ccc([O-])cc3c(=O)[n-]2)ccc1C ZINC000351849794 542552158 /nfs/dbraw/zinc/55/21/58/542552158.db2.gz HMAVOWSRZBJEIZ-UHFFFAOYSA-N -2 3 282.299 3.025 20 0 CGADHL Cc1ccc([O-])c(-c2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000445453690 393795659 /nfs/dbraw/zinc/79/56/59/393795659.db2.gz CFLBLRQLZUZCKN-UHFFFAOYSA-N -2 3 286.262 3.262 20 0 CGADHL [O-]c1ccc(-c2noc(-c3ccc([O-])c(Cl)c3)n2)cc1 ZINC000111687302 287135837 /nfs/dbraw/zinc/13/58/37/287135837.db2.gz VDKQHHWKWUVBGY-UHFFFAOYSA-N -2 3 288.690 3.468 20 0 CGADHL COc1cc(Nc2cc(F)c([O-])c(F)c2)cc(C(=O)[O-])c1 ZINC001213592361 815308096 /nfs/dbraw/zinc/30/80/96/815308096.db2.gz DFUSJWVCQSFYFM-UHFFFAOYSA-N -2 3 295.241 3.121 20 0 CGADHL CC(C)CCC[C@@H](C)OCCCCP(=O)([O-])[O-] ZINC001225018720 816932743 /nfs/dbraw/zinc/93/27/43/816932743.db2.gz GMBXXWDJSOLCGI-GFCCVEGCSA-N -2 3 266.318 3.176 20 0 CGADHL CC[C@@H](OCCCCP(=O)([O-])[O-])c1ccccc1F ZINC001225018741 816933111 /nfs/dbraw/zinc/93/31/11/816933111.db2.gz GXHWBQWTPCOIOK-CYBMUJFWSA-N -2 3 290.271 3.251 20 0 CGADHL CCC[C@H](OCCCCP(=O)([O-])[O-])C(C)(C)C ZINC001225019097 816934168 /nfs/dbraw/zinc/93/41/68/816934168.db2.gz RBEXMMPISZXXAS-NSHDSACASA-N -2 3 266.318 3.176 20 0 CGADHL O=c1[n-]c(-c2cnc3ccccc3c2)nc2ccc([O-])cc21 ZINC000539805393 376331779 /nfs/dbraw/zinc/33/17/79/376331779.db2.gz UMAZFUOYFQWAPX-UHFFFAOYSA-N -2 3 289.294 3.256 20 0 CGADHL [O-]c1ccc(-c2noc(-c3cc(F)ccc3[O-])n2)c(F)c1 ZINC000445454468 393795500 /nfs/dbraw/zinc/79/55/00/393795500.db2.gz GBCQCZSRTYEPNV-UHFFFAOYSA-N -2 3 290.225 3.093 20 0 CGADHL O=S(=O)([O-])c1ccc(Nc2cccc([O-])c2Cl)cc1 ZINC001210854554 814652154 /nfs/dbraw/zinc/65/21/54/814652154.db2.gz DRUIDVSDXVRZNY-UHFFFAOYSA-N -2 3 299.735 3.036 20 0 CGADHL [O-]c1cccc(-c2nc[n-]c3nc(=S)sc2-3)c1Cl ZINC001242801473 823137403 /nfs/dbraw/zinc/13/74/03/823137403.db2.gz SYWXIAMMXWDQHU-UHFFFAOYSA-N -2 3 295.776 3.401 20 0 CGADHL CCCC1CCC(OCCCCP(=O)([O-])[O-])CC1 ZINC001225022387 816934336 /nfs/dbraw/zinc/93/43/36/816934336.db2.gz OIPQDZSSZUKUCT-UHFFFAOYSA-N -2 3 278.329 3.320 20 0 CGADHL C[C@@H](Oc1cc(=O)cc(C(F)(F)F)[n-]1)C1=CC=C[CH]1 ZINC001227587824 817677581 /nfs/dbraw/zinc/67/75/81/817677581.db2.gz ZCGMOBPATMHJJY-MRVPVSSYSA-N -2 3 270.230 3.274 20 0 CGADHL CCc1cccc(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)c1[O-] ZINC001593640028 953635812 /nfs/dbraw/zinc/63/58/12/953635812.db2.gz HZPCKRGSWJNZCN-UHFFFAOYSA-N -2 3 299.326 3.214 20 0 CGADHL O=C(Nc1ccc(Cl)cc1[O-])c1ccccc1[O-] ZINC000153469098 371770597 /nfs/dbraw/zinc/77/05/97/371770597.db2.gz CIRVQTIZUVAHAY-UHFFFAOYSA-N -2 3 263.680 3.004 20 0 CGADHL Cc1ccc([O-])c(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000532838289 288371175 /nfs/dbraw/zinc/37/11/75/288371175.db2.gz XHDBELWQLOJRSK-UHFFFAOYSA-N -2 3 277.707 3.312 20 0 CGADHL Cc1ccc([O-])c(C(=O)Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000740142581 572434599 /nfs/dbraw/zinc/43/45/99/572434599.db2.gz BVZJPUMFOJPONQ-UHFFFAOYSA-N -2 3 286.287 3.043 20 0 CGADHL O=C([O-])c1cc(Cl)cc(Nc2ncc(F)cc2[O-])c1 ZINC001211962554 814961944 /nfs/dbraw/zinc/96/19/44/814961944.db2.gz HRTDVPYIIMIKBJ-UHFFFAOYSA-N -2 3 282.658 3.022 20 0 CGADHL O=C([O-])/C=C/c1cccc(Nc2ncc(Cl)cc2[O-])c1 ZINC001174494186 809042442 /nfs/dbraw/zinc/04/24/42/809042442.db2.gz AVOACOWRHSWQBX-SNAWJCMRSA-N -2 3 290.706 3.282 20 0 CGADHL COc1cc(Nc2cccc(Cl)c2[O-])ccc1C(=O)[O-] ZINC001174684803 809129999 /nfs/dbraw/zinc/12/99/99/809129999.db2.gz GOPJEZSIHNCEEJ-UHFFFAOYSA-N -2 3 293.706 3.496 20 0 CGADHL O=C([O-])c1ccc(Nc2c(F)ccc([O-])c2F)cc1 ZINC001175267589 809330839 /nfs/dbraw/zinc/33/08/39/809330839.db2.gz BLVHHVWHPFGDMV-UHFFFAOYSA-N -2 3 265.215 3.112 20 0 CGADHL O=C([O-])c1ccc(Nc2nc3c(cccc3[O-])s2)cc1 ZINC001176707928 809745307 /nfs/dbraw/zinc/74/53/07/809745307.db2.gz OAINGJMIYMXXLI-UHFFFAOYSA-N -2 3 286.312 3.444 20 0 CGADHL COc1ccc(C(=O)[O-])cc1Nc1ccc([O-])c(F)c1F ZINC001210255305 814369572 /nfs/dbraw/zinc/36/95/72/814369572.db2.gz RJGYUJQDEXHSTN-UHFFFAOYSA-N -2 3 295.241 3.121 20 0 CGADHL O=C([O-])c1ccccc1Nc1cc(F)c([O-])c(F)c1 ZINC001210967553 814694328 /nfs/dbraw/zinc/69/43/28/814694328.db2.gz JEMRUNFJVAWMPQ-UHFFFAOYSA-N -2 3 265.215 3.112 20 0 CGADHL Cc1cc(C(=O)[O-])ccc1Nc1ccc([O-])c(F)c1F ZINC001211623036 814919525 /nfs/dbraw/zinc/91/95/25/814919525.db2.gz UXTIXUCPJPWSKD-UHFFFAOYSA-N -2 3 279.242 3.421 20 0 CGADHL O=P([O-])([O-])CCOC1CCC(C2CCCCC2)CC1 ZINC001224601702 816832022 /nfs/dbraw/zinc/83/20/22/816832022.db2.gz JUIJPSOAXCEULR-UHFFFAOYSA-N -2 3 290.340 3.320 20 0 CGADHL CCC[C@@H](OCCCCP(=O)([O-])[O-])C(C)(C)C ZINC001225019096 816934978 /nfs/dbraw/zinc/93/49/78/816934978.db2.gz RBEXMMPISZXXAS-LLVKDONJSA-N -2 3 266.318 3.176 20 0 CGADHL O=C([O-])c1ccc(-c2ccc3c(c2)[N-]C(=S)C3)c(F)c1 ZINC001239274712 820250144 /nfs/dbraw/zinc/25/01/44/820250144.db2.gz DOPLWGHADBHSRE-UHFFFAOYSA-N -2 3 287.315 3.486 20 0 CGADHL CCc1cccc(C(=O)Nc2cccc([O-])c2F)c1[O-] ZINC000678325819 543514739 /nfs/dbraw/zinc/51/47/39/543514739.db2.gz YOZDGSODMVYPNK-UHFFFAOYSA-N -2 3 275.279 3.052 20 0 CGADHL CC(C)c1ccc(C(=O)Nc2ccccc2[O-])c([O-])c1 ZINC000048517965 286907066 /nfs/dbraw/zinc/90/70/66/286907066.db2.gz RPRLITUEBXEUIR-UHFFFAOYSA-N -2 3 271.316 3.474 20 0 CGADHL O=C(Nc1ccccc1[O-])c1ccc(C(F)(F)F)cc1[O-] ZINC000436753438 534398962 /nfs/dbraw/zinc/39/89/62/534398962.db2.gz UMXCYJBCCXGFIC-UHFFFAOYSA-N -2 3 297.232 3.369 20 0 CGADHL Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc([S-])cc1 ZINC001258926451 807673944 /nfs/dbraw/zinc/67/39/44/807673944.db2.gz OIRJSRONOMNOMM-UHFFFAOYSA-N -2 3 297.376 3.224 20 0 CGADHL O=C([O-])c1ccc(Nc2cc(F)c([O-])c(F)c2)cc1F ZINC001175158789 809292670 /nfs/dbraw/zinc/29/26/70/809292670.db2.gz WXPGOCRXEIQXHX-UHFFFAOYSA-N -2 3 283.205 3.251 20 0 CGADHL O=C([O-])c1cccc(Nc2cc([O-])c(F)cc2F)c1 ZINC001175328877 809356439 /nfs/dbraw/zinc/35/64/39/809356439.db2.gz DWCMRMHUKWJTQA-UHFFFAOYSA-N -2 3 265.215 3.112 20 0 CGADHL O=C([O-])c1ccc(Nc2c(F)cc([O-])cc2F)c(F)c1 ZINC001203293683 812297450 /nfs/dbraw/zinc/29/74/50/812297450.db2.gz YEQSJCQBIMQLMA-UHFFFAOYSA-N -2 3 283.205 3.251 20 0 CGADHL COc1ccc(C(=O)[O-])cc1Nc1cc([O-])c(F)cc1F ZINC001210257758 814369690 /nfs/dbraw/zinc/36/96/90/814369690.db2.gz FMKZDHJCXDTUMM-UHFFFAOYSA-N -2 3 295.241 3.121 20 0 CGADHL Cc1ccc(Nc2cc(F)c([O-])c(F)c2)cc1C(=O)[O-] ZINC001211603632 814916223 /nfs/dbraw/zinc/91/62/23/814916223.db2.gz AMVDVHZVECYBHZ-UHFFFAOYSA-N -2 3 279.242 3.421 20 0 CGADHL CCCC[C@H](CC)[C@H](CC)OCCP(=O)([O-])[O-] ZINC001224602232 816830792 /nfs/dbraw/zinc/83/07/92/816830792.db2.gz PDDRBKGVGQXQSI-RYUDHWBXSA-N -2 3 266.318 3.176 20 0 CGADHL O=P([O-])([O-])CCCCO[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC001225018539 816932447 /nfs/dbraw/zinc/93/24/47/816932447.db2.gz AFJXZXKQQWPZLC-MELADBBJSA-N -2 3 290.340 3.320 20 0 CGADHL C[C@@H](OCCCCP(=O)([O-])[O-])c1c(F)cccc1F ZINC001225022411 816934896 /nfs/dbraw/zinc/93/48/96/816934896.db2.gz OUQVMEOKXWAHLR-SECBINFHSA-N -2 3 294.234 3.000 20 0 CGADHL CCC(CC)[C@@H](CC)OCCCCP(=O)([O-])[O-] ZINC001225019440 816934960 /nfs/dbraw/zinc/93/49/60/816934960.db2.gz VXHONEFKVCOPPA-GFCCVEGCSA-N -2 3 266.318 3.176 20 0 CGADHL Cc1c([S-])ccc(-c2ccc(-c3nn[n-]n3)cc2)c1F ZINC001241446012 821840610 /nfs/dbraw/zinc/84/06/10/821840610.db2.gz GQIPVNRTVIOPLO-UHFFFAOYSA-N -2 3 286.335 3.270 20 0 CGADHL C[C@@H](Oc1[n-]c(=O)nc2cccc(Cl)c21)C1=CC=C[CH]1 ZINC001230886918 932635704 /nfs/dbraw/zinc/63/57/04/932635704.db2.gz UXEQCDVSNGOCIK-SECBINFHSA-N -2 3 287.726 3.457 20 0 CGADHL Cc1cc(=O)[n-]c(C=Cc2ccc(C(=O)[O-])cc2Cl)n1 ZINC000352036171 219298017 /nfs/dbraw/zinc/29/80/17/219298017.db2.gz WYZHKTSVYGVFGU-SNAWJCMRSA-N -2 3 290.706 3.013 20 0 CGADHL O=C(Nc1cc(Cl)ccc1[O-])c1ccccc1[O-] ZINC000011639175 368593317 /nfs/dbraw/zinc/59/33/17/368593317.db2.gz DHARHZPJWBSJCZ-UHFFFAOYSA-N -2 3 263.680 3.004 20 0 CGADHL O=S(=O)([O-])c1cccc(Nc2ccc(Cl)c([O-])c2)c1 ZINC001212591383 815080073 /nfs/dbraw/zinc/08/00/73/815080073.db2.gz JMIDPKNYJYDSQT-UHFFFAOYSA-N -2 3 299.735 3.036 20 0 CGADHL [O-]C(=Cc1c(F)cc(F)c([O-])c1F)c1cccs1 ZINC001250304360 805553895 /nfs/dbraw/zinc/55/38/95/805553895.db2.gz GTRIQZTZWCETRZ-UHFFFAOYSA-N -2 3 272.247 3.296 20 0 CGADHL O=C([O-])CCc1ccc([N-]c2nnc(-c3ccco3)o2)cc1 ZINC001213620938 815311771 /nfs/dbraw/zinc/31/17/71/815311771.db2.gz GWOSATOIOPIBHX-UHFFFAOYSA-N -2 3 299.286 3.090 20 0 CGADHL [O-]c1cc(Cl)cnc1Nc1c(F)cc(F)c([O-])c1F ZINC001176664123 809737977 /nfs/dbraw/zinc/73/79/77/809737977.db2.gz LHDMHBBBXJSXIL-UHFFFAOYSA-N -2 3 290.628 3.307 20 0 CGADHL [O-]c1c(F)cc(F)c(Nc2ccnc(Cl)c2[O-])c1F ZINC001176664718 809737989 /nfs/dbraw/zinc/73/79/89/809737989.db2.gz YMZCYLXZMKNWFU-UHFFFAOYSA-N -2 3 290.628 3.307 20 0 CGADHL O=c1cc(Nc2cc(F)c([O-])c(Cl)c2)nc(Cl)[n-]1 ZINC001214482590 815416637 /nfs/dbraw/zinc/41/66/37/815416637.db2.gz CNTDJTPBCORNHM-UHFFFAOYSA-N -2 3 290.081 3.077 20 0 CGADHL O=C([O-])c1cc(F)cc(Nc2ccc([O-])c(F)c2F)c1 ZINC001209890011 814189601 /nfs/dbraw/zinc/18/96/01/814189601.db2.gz YZFQVIGLZSNXQL-UHFFFAOYSA-N -2 3 283.205 3.251 20 0 CGADHL O=C([O-])c1cc(F)cc(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001209889707 814189818 /nfs/dbraw/zinc/18/98/18/814189818.db2.gz QFDULYZFZFWVHL-UHFFFAOYSA-N -2 3 283.205 3.251 20 0 CGADHL O=P([O-])([O-])CCO[C@H]1CCCC[C@H]1C1CCCCC1 ZINC001224602178 816831899 /nfs/dbraw/zinc/83/18/99/816831899.db2.gz OUXHMVLJTABFQA-KBPBESRZSA-N -2 3 290.340 3.320 20 0 CGADHL CC[C@@H](C)C[C@H](CC)OCCCCP(=O)([O-])[O-] ZINC001225022021 816934607 /nfs/dbraw/zinc/93/46/07/816934607.db2.gz LOEBVIMTMGMAMV-NEPJUHHUSA-N -2 3 266.318 3.176 20 0 CGADHL C[C@H](Oc1cc(=O)cc(C(F)(F)F)[n-]1)C1=CC=C[CH]1 ZINC001227587825 817677698 /nfs/dbraw/zinc/67/76/98/817677698.db2.gz ZCGMOBPATMHJJY-QMMMGPOBSA-N -2 3 270.230 3.274 20 0 CGADHL O=C([O-])c1cc(F)cc(-c2ccc3c(c2)[N-]C(=S)C3)c1 ZINC001241836792 822172831 /nfs/dbraw/zinc/17/28/31/822172831.db2.gz DGAFOLXFSZYUNI-UHFFFAOYSA-N -2 3 287.315 3.486 20 0 CGADHL Cc1cc(-c2ccc([O-])c(C(F)(F)F)c2)cnc1C(=O)[O-] ZINC001242166007 822900897 /nfs/dbraw/zinc/90/08/97/822900897.db2.gz JTVYGDHEAGJORY-UHFFFAOYSA-N -2 3 297.232 3.480 20 0 CGADHL COc1ccc(C(=O)[O-])cc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001242393141 822979776 /nfs/dbraw/zinc/97/97/76/822979776.db2.gz MCNZEXWOBXTFPY-UHFFFAOYSA-N -2 3 299.351 3.356 20 0 CGADHL O=C(Nc1ccc(Cl)cc1[O-])c1cccc(F)c1[O-] ZINC001556081777 938201691 /nfs/dbraw/zinc/20/16/91/938201691.db2.gz LFQYUYOWFNSCCN-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL O=C(Nc1cc(Cl)ccc1[O-])c1ccc(F)cc1[O-] ZINC000436599917 237141973 /nfs/dbraw/zinc/14/19/73/237141973.db2.gz FBOKBANFIJPLFR-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL Cc1csc2[n-]c(-c3ccc(C(=O)[O-])s3)nc(=O)c12 ZINC000349004915 379131921 /nfs/dbraw/zinc/13/19/21/379131921.db2.gz LLLNLHVMSBLZCR-UHFFFAOYSA-N -2 3 292.341 3.132 20 0 CGADHL Cc1ccc(NC(=O)C2(C(=O)[O-])CCCCCC2)c([O-])c1 ZINC000663039852 419513479 /nfs/dbraw/zinc/51/34/79/419513479.db2.gz XDZFZDVRHJCXGS-UHFFFAOYSA-N -2 3 291.347 3.064 20 0 CGADHL O=C(Nc1ccc(Cl)cc1[O-])c1ccc(F)cc1[O-] ZINC000436736510 534829745 /nfs/dbraw/zinc/82/97/45/534829745.db2.gz GGPMXXSOJBERBC-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL CC[C@H](Cc1ccccc1-c1ccc(=O)[n-]c1F)C(=O)[O-] ZINC000901030617 620827106 /nfs/dbraw/zinc/82/71/06/620827106.db2.gz XPENNMBZHIDOQV-SNVBAGLBSA-N -2 3 289.306 3.247 20 0 CGADHL [O-]c1c(Cl)ccc(-c2ccccc2-c2nnn[n-]2)c1F ZINC001244629916 803473083 /nfs/dbraw/zinc/47/30/83/803473083.db2.gz JVJLSXAUNNKDMQ-UHFFFAOYSA-N -2 3 290.685 3.032 20 0 CGADHL [O-]c1c(Cl)ccc(-c2ccccc2-c2nn[n-]n2)c1F ZINC001244629916 803473085 /nfs/dbraw/zinc/47/30/85/803473085.db2.gz JVJLSXAUNNKDMQ-UHFFFAOYSA-N -2 3 290.685 3.032 20 0 CGADHL O=C([O-])c1cc(Nc2cccc([O-])c2Cl)cnc1F ZINC001215111390 815483560 /nfs/dbraw/zinc/48/35/60/815483560.db2.gz PBHMTFCTJNMWQE-UHFFFAOYSA-N -2 3 282.658 3.022 20 0 CGADHL CCCC[C@@H](OCCP(=O)([O-])[O-])c1ccccc1 ZINC001224607987 816832423 /nfs/dbraw/zinc/83/24/23/816832423.db2.gz XNDYGAOYBWENQC-CYBMUJFWSA-N -2 3 272.281 3.112 20 0 CGADHL CCCC[C@H](OCCP(=O)([O-])[O-])c1ccccc1 ZINC001224607994 816832854 /nfs/dbraw/zinc/83/28/54/816832854.db2.gz XNDYGAOYBWENQC-ZDUSSCGKSA-N -2 3 272.281 3.112 20 0 CGADHL CCC[C@H]1CCCC[C@@H]1OCCCCP(=O)([O-])[O-] ZINC001225018640 816933077 /nfs/dbraw/zinc/93/30/77/816933077.db2.gz DGDJMBKNLXJMSG-STQMWFEESA-N -2 3 278.329 3.320 20 0 CGADHL CCC[C@H](C)[C@@H](CC)OCCCCP(=O)([O-])[O-] ZINC001225019608 816934355 /nfs/dbraw/zinc/93/43/55/816934355.db2.gz YTZBQAITWMBJCG-NWDGAFQWSA-N -2 3 266.318 3.176 20 0 CGADHL CCCC[C@H](CC)[C@@H](CC)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233943374 818736686 /nfs/dbraw/zinc/73/66/86/818736686.db2.gz IQBQVCBPZLYFAW-CMPLNLGQSA-N -2 3 292.383 3.020 20 0 CGADHL CCCC[C@@H](Oc1[n-]c(=O)nc2cn[n-]c21)[C@H](C)CCC ZINC001233945139 818737789 /nfs/dbraw/zinc/73/77/89/818737789.db2.gz QTSISYYOPUMEBO-ZYHUDNBSSA-N -2 3 292.383 3.020 20 0 CGADHL CCc1cccc(C(=O)Nc2cc(F)cc(F)c2[O-])c1[O-] ZINC001451761044 937391758 /nfs/dbraw/zinc/39/17/58/937391758.db2.gz YRSIPQWKZCBNJN-UHFFFAOYSA-N -2 3 293.269 3.191 20 0 CGADHL CCc1ccc2nc(-c3cc([O-])cc(F)c3)[n-]c(=O)c2c1 ZINC001324190381 934469539 /nfs/dbraw/zinc/46/95/39/934469539.db2.gz QZSRQVAOFZTEME-UHFFFAOYSA-N -2 3 284.290 3.410 20 0 CGADHL O=C(Nc1c([O-])cccc1F)c1ncc2ccccc2c1[O-] ZINC001557407375 938209891 /nfs/dbraw/zinc/20/98/91/938209891.db2.gz CZOATSBKMNYTKP-UHFFFAOYSA-N -2 3 298.273 3.037 20 0 CGADHL Cc1cc(NC(=O)c2cccc(C)c2[O-])sc1C(=O)[O-] ZINC000019807192 957119566 /nfs/dbraw/zinc/11/95/66/957119566.db2.gz DSAFGHJCIDXMOH-UHFFFAOYSA-N -2 3 291.328 3.021 20 0 CGADHL O=C(Nc1cccc(F)c1[O-])c1ccc(Cl)c([O-])c1 ZINC001587393891 963189956 /nfs/dbraw/zinc/18/99/56/963189956.db2.gz OEXPHFQPBMKYAD-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL CCc1ccc(C(=O)Nc2ccc(C)cc2C(=O)[O-])c([O-])c1 ZINC001597502447 988067531 /nfs/dbraw/zinc/06/75/31/988067531.db2.gz BLDVETIHCURQEZ-UHFFFAOYSA-N -2 3 299.326 3.214 20 0 CGADHL O=C(Nc1cc(Cl)ccc1[O-])c1ccc([O-])c(F)c1 ZINC000681058161 543762089 /nfs/dbraw/zinc/76/20/89/543762089.db2.gz KVZORTLPISGHKN-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL COc1ccc(C(=O)Nc2c([O-])cccc2Cl)c([O-])c1 ZINC000566884926 322142172 /nfs/dbraw/zinc/14/21/72/322142172.db2.gz VOFMBJHVQWHNMD-UHFFFAOYSA-N -2 3 293.706 3.012 20 0 CGADHL Cc1ccc([O-])c(C(=O)Nc2cc(Cl)c([O-])cc2F)c1 ZINC000805254949 627120525 /nfs/dbraw/zinc/12/05/25/627120525.db2.gz HLTFOFVACOBFQB-UHFFFAOYSA-N -2 3 295.697 3.451 20 0 CGADHL [O-]c1c(F)cc(-c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC001244501654 803407278 /nfs/dbraw/zinc/40/72/78/803407278.db2.gz BYURIDBRXSHBBR-UHFFFAOYSA-N -2 3 290.685 3.032 20 0 CGADHL O=S(=O)([O-])c1ccc(Nc2ccc(Cl)c([O-])c2)cc1 ZINC001212593358 815080424 /nfs/dbraw/zinc/08/04/24/815080424.db2.gz MYRHKGNPFZTWMB-UHFFFAOYSA-N -2 3 299.735 3.036 20 0 CGADHL CC(C)c1nnc([N-]c2c(F)ccc([O-])c2Cl)o1 ZINC001250228343 805505607 /nfs/dbraw/zinc/50/56/07/805505607.db2.gz XUUJAOGKMSYPKT-UHFFFAOYSA-N -2 3 271.679 3.435 20 0 CGADHL O=C([O-])c1cc(Nc2c(F)cc([O-])cc2F)ccc1F ZINC001175222119 809314353 /nfs/dbraw/zinc/31/43/53/809314353.db2.gz SUWQQVQIIDVDIA-UHFFFAOYSA-N -2 3 283.205 3.251 20 0 CGADHL COc1cc(Nc2cc([O-])c(F)cc2F)cc(C(=O)[O-])c1 ZINC001213592704 815308148 /nfs/dbraw/zinc/30/81/48/815308148.db2.gz NJEZIBHYTNPOBV-UHFFFAOYSA-N -2 3 295.241 3.121 20 0 CGADHL O=C([O-])c1ccc(Nc2cccc(Cl)c2[O-])cc1 ZINC001176712186 809747032 /nfs/dbraw/zinc/74/70/32/809747032.db2.gz FSIZMVOKOXUDRE-UHFFFAOYSA-N -2 3 263.680 3.487 20 0 CGADHL O=c1cc(Nc2c(Cl)ccc([O-])c2F)nc(Cl)[n-]1 ZINC001214556279 815423527 /nfs/dbraw/zinc/42/35/27/815423527.db2.gz OJXMFTYCLAHLCV-UHFFFAOYSA-N -2 3 290.081 3.077 20 0 CGADHL O=C([O-])c1cnc(F)c(Nc2cccc([O-])c2Cl)c1 ZINC001215131845 815486581 /nfs/dbraw/zinc/48/65/81/815486581.db2.gz VLTYMUMZPRYNEA-UHFFFAOYSA-N -2 3 282.658 3.022 20 0 CGADHL O=P([O-])([O-])CCCCO[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001225018537 816933306 /nfs/dbraw/zinc/93/33/06/816933306.db2.gz AFJXZXKQQWPZLC-BFHYXJOUSA-N -2 3 290.340 3.320 20 0 CGADHL CCc1ccc([O-])c(C(=O)Nc2cc(F)cc(F)c2[O-])c1 ZINC001557086886 938207715 /nfs/dbraw/zinc/20/77/15/938207715.db2.gz KFZNROTVZWRCDC-UHFFFAOYSA-N -2 3 293.269 3.191 20 0 CGADHL Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])cc1 ZINC000559248595 377075441 /nfs/dbraw/zinc/07/54/41/377075441.db2.gz HHSGWQFTMQPEKO-UHFFFAOYSA-N -2 3 297.763 3.155 20 0 CGADHL Cc1ccc(-c2nc3ccc([O-])cc3c(=O)[n-]2)cc1F ZINC000351851742 542551998 /nfs/dbraw/zinc/55/19/98/542551998.db2.gz MDJOJHAYTHUPCI-UHFFFAOYSA-N -2 3 270.263 3.156 20 0 CGADHL CCSc1ccc(-c2nc3ccc([O-])cc3c(=O)[n-]2)cc1 ZINC000446158860 542669481 /nfs/dbraw/zinc/66/94/81/542669481.db2.gz WTPCYKFULODKMA-UHFFFAOYSA-N -2 3 298.367 3.408 20 0 CGADHL Cc1cc(=O)[n-]c(C=Cc2ccc([O-])c(Cl)c2)n1 ZINC000436783006 534015862 /nfs/dbraw/zinc/01/58/62/534015862.db2.gz KHUGAUDZIUSFBA-HWKANZROSA-N -2 3 262.696 3.020 20 0 CGADHL CCC(=O)c1ccc([O-])c(NC(=O)c2ccc(C)cc2[O-])c1 ZINC000436646103 528462514 /nfs/dbraw/zinc/46/25/14/528462514.db2.gz FYTRJVZRWPNDOM-UHFFFAOYSA-N -2 3 299.326 3.251 20 0 CGADHL CCC(=O)c1ccc([O-])c(NC(=O)c2c(C)cccc2[O-])c1 ZINC001141416689 804639773 /nfs/dbraw/zinc/63/97/73/804639773.db2.gz RCLYEWXORJNZTD-UHFFFAOYSA-N -2 3 299.326 3.251 20 0 CGADHL O=C([O-])Cc1ccc(Nc2cccc([O-])c2Cl)cc1 ZINC001174953686 809213470 /nfs/dbraw/zinc/21/34/70/809213470.db2.gz XXDZNXPVQADQJW-UHFFFAOYSA-N -2 3 277.707 3.416 20 0 CGADHL Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc([S-])cc1 ZINC001185828673 810295856 /nfs/dbraw/zinc/29/58/56/810295856.db2.gz HHJMQAIUFLSNKI-UHFFFAOYSA-N -2 3 297.376 3.224 20 0 CGADHL C[C@@H](OCCP(=O)([O-])[O-])c1c(Cl)cccc1Cl ZINC001224602306 816831051 /nfs/dbraw/zinc/83/10/51/816831051.db2.gz PXUGJOZOMNOHLV-SSDOTTSWSA-N -2 3 299.090 3.249 20 0 CGADHL CCCCCC[C@@H](CCC)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233940465 818736503 /nfs/dbraw/zinc/73/65/03/818736503.db2.gz WZWGCDVWWJVALZ-LLVKDONJSA-N -2 3 292.383 3.164 20 0 CGADHL COc1cc([O-])c(C)c(O[C@@H](C)C2=CC=C[CH]2)c1C(C)=O ZINC001234790887 818924546 /nfs/dbraw/zinc/92/45/46/818924546.db2.gz KMSAVXZKCRYNEW-LBPRGKRZSA-N -2 3 287.335 3.380 20 0 CGADHL CC(C)(C)c1ccc(NC(=O)c2cncc([O-])c2)c([O-])c1 ZINC000337673363 214210485 /nfs/dbraw/zinc/21/04/85/214210485.db2.gz KNAFEFCTCKLPKM-UHFFFAOYSA-N -2 3 286.331 3.043 20 0 CGADHL CCc1[n-]n(-c2cccc(C(=O)[O-])c2C)c(=O)c1C(C)C ZINC000634632889 351553803 /nfs/dbraw/zinc/55/38/03/351553803.db2.gz DEVMIFRSDXVDGF-CQSZACIVSA-N -2 3 288.347 3.078 20 0 CGADHL Cc1ccc(NC(=O)c2cc(F)cc(Cl)c2[O-])c([O-])c1 ZINC000436625232 237144307 /nfs/dbraw/zinc/14/43/07/237144307.db2.gz CNOYVNUIJCXHLF-UHFFFAOYSA-N -2 3 295.697 3.451 20 0 CGADHL CC(C)c1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc1 ZINC000670369958 543151981 /nfs/dbraw/zinc/15/19/81/543151981.db2.gz NISMGWJMIAATDF-YVMONPNESA-N -2 3 284.315 3.174 20 0 CGADHL CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1cc(Cl)ccc1[O-] ZINC000899760999 620726565 /nfs/dbraw/zinc/72/65/65/620726565.db2.gz BMCCVHKWJSRMFW-SECBINFHSA-N -2 3 299.754 3.121 20 0 CGADHL O=C([O-])C1(Cc2ccccc2-c2ccc(=O)[n-]c2F)CC1 ZINC000901028819 620827164 /nfs/dbraw/zinc/82/71/64/620827164.db2.gz PEUPAASLCLVWGX-UHFFFAOYSA-N -2 3 287.290 3.001 20 0 CGADHL O=C(Nc1c([O-])cccc1F)c1c([O-])cccc1Cl ZINC000770864638 627649005 /nfs/dbraw/zinc/64/90/05/627649005.db2.gz ZJZRAVAYSAHWMF-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL COc1ccc(Nc2cccc(Cl)c2[O-])cc1C(=O)[O-] ZINC001209903503 814195749 /nfs/dbraw/zinc/19/57/49/814195749.db2.gz WGWLDUDEBBRSLI-UHFFFAOYSA-N -2 3 293.706 3.496 20 0 CGADHL O=C([O-])c1cccc(Nc2ncc(Cl)cc2[O-])c1F ZINC001210240514 814359911 /nfs/dbraw/zinc/35/99/11/814359911.db2.gz VLMBHXJYQRTCTH-UHFFFAOYSA-N -2 3 282.658 3.022 20 0 CGADHL C[C@@H](OCCCCP(=O)([O-])[O-])c1cccc(F)c1F ZINC001225018669 816933166 /nfs/dbraw/zinc/93/31/66/816933166.db2.gz DWZNFDDXMBENHO-SECBINFHSA-N -2 3 294.234 3.000 20 0 CGADHL O=P([O-])([O-])CCCCO[C@H](c1ccccc1)C1CC1 ZINC001225022299 816934806 /nfs/dbraw/zinc/93/48/06/816934806.db2.gz MIVUNIQYOHYQRV-CQSZACIVSA-N -2 3 284.292 3.112 20 0 CGADHL O=C([O-])Cc1cccc(-c2ccc3c(c2)[N-]C(=S)C3)c1 ZINC001242265558 822931330 /nfs/dbraw/zinc/93/13/30/822931330.db2.gz IKAGHIKLPXJRSG-UHFFFAOYSA-N -2 3 283.352 3.276 20 0 CGADHL O=C([O-])/C=C/c1ccccc1-c1cccc(F)c1[O-] ZINC001242350562 822961121 /nfs/dbraw/zinc/96/11/21/822961121.db2.gz IBYIATRGUFDDKW-CMDGGOBGSA-N -2 3 258.248 3.296 20 0 CGADHL C[C@@H](Oc1ncc(Br)cc1[O-])C1=CC=C[CH]1 ZINC001228955766 932058410 /nfs/dbraw/zinc/05/84/10/932058410.db2.gz LRHJATFOHHBWOB-MRVPVSSYSA-N -2 3 281.129 3.017 20 0 CGADHL O=C(Nc1cc(F)c([O-])cc1Cl)c1ccc(F)c([O-])c1 ZINC001472194774 937773769 /nfs/dbraw/zinc/77/37/69/937773769.db2.gz SBBIBJHCAKXELW-UHFFFAOYSA-N -2 3 299.660 3.282 20 0 CGADHL CC(C)c1nc(/C=C/c2cccc([O-])c2)ncc1C(=O)[O-] ZINC000172488252 346225342 /nfs/dbraw/zinc/22/53/42/346225342.db2.gz IWURLWFTNAXUNJ-VOTSOKGWSA-N -2 3 284.315 3.174 20 0 CGADHL O=C(Nc1c([O-])cccc1F)c1cc(Cl)ccc1[O-] ZINC000092551536 541975942 /nfs/dbraw/zinc/97/59/42/541975942.db2.gz BVXUCLGFYJXXET-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL Cc1ccc([O-])c(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000111211306 287133653 /nfs/dbraw/zinc/13/36/53/287133653.db2.gz KYSSSAZNYYILPB-UHFFFAOYSA-N -2 3 277.707 3.312 20 0 CGADHL O=C([O-])Nc1cccc(-c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000740027127 572429572 /nfs/dbraw/zinc/42/95/72/572429572.db2.gz LHVVYNLORPKCIC-UHFFFAOYSA-N -2 3 297.270 3.199 20 0 CGADHL Cc1cc(Nc2ncc(Cl)cc2[O-])ccc1C(=O)[O-] ZINC001211650094 814924940 /nfs/dbraw/zinc/92/49/40/814924940.db2.gz OPSJFIVSBOUMOX-UHFFFAOYSA-N -2 3 278.695 3.191 20 0 CGADHL O=C(Nc1cc(Cl)c([O-])cc1F)c1cccc([O-])c1F ZINC001297611204 809520771 /nfs/dbraw/zinc/52/07/71/809520771.db2.gz BAYYLAQVVGTXJG-UHFFFAOYSA-N -2 3 299.660 3.282 20 0 CGADHL CCC[C@@H](C)[C@@H](OCCCCP(=O)([O-])[O-])C(C)C ZINC001225019476 816933680 /nfs/dbraw/zinc/93/36/80/816933680.db2.gz XAMBTKVWQPBFDY-OLZOCXBDSA-N -2 3 280.345 3.422 20 0 CGADHL O=C([O-])c1sccc1Nc1cc(F)c([O-])cc1F ZINC001215394956 815515612 /nfs/dbraw/zinc/51/56/12/815515612.db2.gz BSLMOFKEHOMYDQ-UHFFFAOYSA-N -2 3 271.244 3.174 20 0 CGADHL O=C([O-])c1ccc(Nc2ncc(Cl)cc2[O-])c(F)c1 ZINC001203285859 812291581 /nfs/dbraw/zinc/29/15/81/812291581.db2.gz AFXXIZYAXIULDI-UHFFFAOYSA-N -2 3 282.658 3.022 20 0 CGADHL O=C([O-])Cc1cccc(Nc2ccc([O-])c(F)c2F)c1 ZINC001210071866 814273910 /nfs/dbraw/zinc/27/39/10/814273910.db2.gz XYPGLCOWAHWRAK-UHFFFAOYSA-N -2 3 279.242 3.041 20 0 CGADHL Cc1ccc([C@@H](C)OCCCCP(=O)([O-])[O-])cc1 ZINC001225018750 816932987 /nfs/dbraw/zinc/93/29/87/816932987.db2.gz HEQMWVKHANZWJX-GFCCVEGCSA-N -2 3 272.281 3.031 20 0 CGADHL CCCC[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)[O-] ZINC001595650715 982012057 /nfs/dbraw/zinc/01/20/57/982012057.db2.gz MCOZWTIUUGBDIV-QMMMGPOBSA-N -2 3 294.134 3.122 20 0 CGADHL O=C(Nc1cc(Cl)ccc1[O-])c1cc(F)ccc1[O-] ZINC000436601164 237140431 /nfs/dbraw/zinc/14/04/31/237140431.db2.gz IBQPITYOIVGVRK-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL O=C([N-]c1c([O-])cccc1F)c1cc(-c2ccccc2)no1 ZINC000078806984 177391051 /nfs/dbraw/zinc/39/10/51/177391051.db2.gz SGSIJPQNRCAONG-UHFFFAOYSA-N -2 3 298.273 3.439 20 0 CGADHL O=C(Nc1c([O-])cccc1F)c1cc([O-])ccc1Cl ZINC000685743364 544096022 /nfs/dbraw/zinc/09/60/22/544096022.db2.gz XOFICCZPYRMCOR-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL Cc1ccc([O-])c(C(=O)Nc2ccccc2NC(=O)[O-])c1 ZINC000740142730 571697757 /nfs/dbraw/zinc/69/77/57/571697757.db2.gz DLOSCKVXPZDBDR-UHFFFAOYSA-N -2 3 286.287 3.043 20 0 CGADHL O=C([N-]c1cc(F)cc(Cl)c1[O-])c1cc(Cl)no1 ZINC001138645363 803992360 /nfs/dbraw/zinc/99/23/60/803992360.db2.gz YNZSRESJOYMPQE-UHFFFAOYSA-N -2 3 291.065 3.078 20 0 CGADHL O=C(Nc1cccc(F)c1[O-])c1ccc(Cl)cc1[O-] ZINC001151771311 805313015 /nfs/dbraw/zinc/31/30/15/805313015.db2.gz GQISCMMUGYKVRG-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL Cc1ccc(C(=O)[O-])cc1Nc1ccc([O-])c(F)c1F ZINC001174982131 809224870 /nfs/dbraw/zinc/22/48/70/809224870.db2.gz LNCHXLJDNYMPSA-UHFFFAOYSA-N -2 3 279.242 3.421 20 0 CGADHL O=C([O-])c1ccc(Nc2ccc([O-])c(F)c2F)c(F)c1 ZINC001203293057 812295990 /nfs/dbraw/zinc/29/59/90/812295990.db2.gz QVYHFTACCONZKJ-UHFFFAOYSA-N -2 3 283.205 3.251 20 0 CGADHL CC/C=C(\C)[C@H](CC)OCCCCP(=O)([O-])[O-] ZINC001225018618 816933146 /nfs/dbraw/zinc/93/31/46/816933146.db2.gz CIUSYSSOXKRCMW-OBIHZWKSSA-N -2 3 264.302 3.096 20 0 CGADHL CC[C@H](C)CC[C@@H](C)OCCCCP(=O)([O-])[O-] ZINC001225018683 816933256 /nfs/dbraw/zinc/93/32/56/816933256.db2.gz FJJXWXCTTMXWEM-NWDGAFQWSA-N -2 3 266.318 3.176 20 0 CGADHL CCCCC[C@H](CC)OCCCCP(=O)([O-])[O-] ZINC001225022732 816933883 /nfs/dbraw/zinc/93/38/83/816933883.db2.gz RBPUAIXLWRFQFA-LBPRGKRZSA-N -2 3 266.318 3.320 20 0 CGADHL COc1cc(-c2ccc3c(c2)[N-]C(=S)C3)ccc1C(=O)[O-] ZINC001240746356 821297892 /nfs/dbraw/zinc/29/78/92/821297892.db2.gz IQXRQSMREPPELL-UHFFFAOYSA-N -2 3 299.351 3.356 20 0 CGADHL Cc1cc(Cl)cc(NC(=O)c2cc(F)ccc2[O-])c1[O-] ZINC000622467979 349681821 /nfs/dbraw/zinc/68/18/21/349681821.db2.gz PEOSXDUSRHWMOW-UHFFFAOYSA-N -2 3 295.697 3.451 20 0 CGADHL O=C([O-])c1ccc2oc(/C=C/c3cccc([O-])c3)nc2c1 ZINC000439267923 238246588 /nfs/dbraw/zinc/24/65/88/238246588.db2.gz BKDJBYSDACHSGN-QPJJXVBHSA-N -2 3 281.267 3.402 20 0 CGADHL CCCOc1cccc(-c2nc3ccc([O-])cc3c(=O)[n-]2)c1 ZINC000484964651 542708206 /nfs/dbraw/zinc/70/82/06/542708206.db2.gz SOUNIBDHUBKWBX-UHFFFAOYSA-N -2 3 296.326 3.497 20 0 CGADHL CCC(C)(C)CCS(=O)(=O)[N-]c1cccc(F)c1[O-] ZINC000872379357 634126061 /nfs/dbraw/zinc/12/60/61/634126061.db2.gz VJRQCCLJZYOJGZ-UHFFFAOYSA-N -2 3 289.372 3.099 20 0 CGADHL O=S(=O)([N-]c1cc(Cl)ccc1[S-])c1ccccc1 ZINC001251137088 805852822 /nfs/dbraw/zinc/85/28/22/805852822.db2.gz LEKLXMCAIABKHL-UHFFFAOYSA-N -2 3 299.804 3.430 20 0 CGADHL O=C([O-])c1ccc(Nc2cc(F)c([O-])cc2F)s1 ZINC001174806459 809166121 /nfs/dbraw/zinc/16/61/21/809166121.db2.gz CAWYUUBVFMUXHS-UHFFFAOYSA-N -2 3 271.244 3.174 20 0 CGADHL O=C([O-])c1ccc(Nc2ncc(Cl)cc2[O-])cc1F ZINC001175154476 809290884 /nfs/dbraw/zinc/29/08/84/809290884.db2.gz NPQKFOXMMILVPK-UHFFFAOYSA-N -2 3 282.658 3.022 20 0 CGADHL COc1c(C(=O)[O-])cccc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001242927699 823175534 /nfs/dbraw/zinc/17/55/34/823175534.db2.gz WBAMGRBXZFIMIS-UHFFFAOYSA-N -2 3 299.351 3.356 20 0 CGADHL O=C([O-])/C=C/c1ccccc1-c1ccc([O-])c(F)c1 ZINC001240786267 821326487 /nfs/dbraw/zinc/32/64/87/821326487.db2.gz DBLOTDOMXBNRKL-SOFGYWHQSA-N -2 3 258.248 3.296 20 0 CGADHL O=C([O-])c1ccc(NC(=O)c2cc([O-])ccc2Cl)s1 ZINC000236479802 960665165 /nfs/dbraw/zinc/66/51/65/960665165.db2.gz DKMRIKHETXFIHP-UHFFFAOYSA-N -2 3 297.719 3.058 20 0 CGADHL CC(C)c1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc1 ZINC000670369957 543151903 /nfs/dbraw/zinc/15/19/03/543151903.db2.gz NISMGWJMIAATDF-VMPITWQZSA-N -2 3 284.315 3.174 20 0 CGADHL O=C1[N-]C(=O)C(=Cc2cc(Cl)c([O-])cc2Cl)S1 ZINC000874928175 634653894 /nfs/dbraw/zinc/65/38/94/634653894.db2.gz KSOWBOKQUPIHNP-WAPJZHGLSA-N -2 3 290.127 3.023 20 0 CGADHL COc1cc(C(=O)[O-])cc(-c2ccc3c(c2)[N-]C(=S)C3)c1 ZINC001244178821 803228024 /nfs/dbraw/zinc/22/80/24/803228024.db2.gz UFYNYDQKWSRSAB-UHFFFAOYSA-N -2 3 299.351 3.356 20 0 CGADHL O=C([O-])c1ccc(Nc2c(F)cc([O-])cc2F)cc1F ZINC001175161773 809293040 /nfs/dbraw/zinc/29/30/40/809293040.db2.gz ZUSCOPUYOLBCMJ-UHFFFAOYSA-N -2 3 283.205 3.251 20 0 CGADHL CC(C)=CCC[C@@H](C)OCCCCP(=O)([O-])[O-] ZINC001225019176 816934117 /nfs/dbraw/zinc/93/41/17/816934117.db2.gz UHXQHMAJNQAYAO-GFCCVEGCSA-N -2 3 264.302 3.096 20 0 CGADHL CCCC[C@H](OCCP(=O)([O-])[O-])[C@H](C)CCC ZINC001224602261 816831317 /nfs/dbraw/zinc/83/13/17/816831317.db2.gz PGBSXXRZDWLLSI-NEPJUHHUSA-N -2 3 266.318 3.176 20 0 CGADHL O=C(Nc1cc(F)cc(F)c1[O-])c1ccc(Cl)cc1[O-] ZINC001570464979 961967415 /nfs/dbraw/zinc/96/74/15/961967415.db2.gz WZKDCTMIISWQEH-UHFFFAOYSA-N -2 3 299.660 3.282 20 0 CGADHL COc1ccc(C(=O)Nc2cccc(Cl)c2[O-])c([O-])c1 ZINC000172112063 533347877 /nfs/dbraw/zinc/34/78/77/533347877.db2.gz SEKAAJMUGOEOSU-UHFFFAOYSA-N -2 3 293.706 3.012 20 0 CGADHL Cc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])c([O-])c1 ZINC000111211398 287133724 /nfs/dbraw/zinc/13/37/24/287133724.db2.gz PHRUBUCHJJRCKO-UHFFFAOYSA-N -2 3 277.707 3.312 20 0 CGADHL Cc1ccc(NC(=O)c2cc(F)c([O-])c(Cl)c2)c([O-])c1 ZINC000184179434 270057602 /nfs/dbraw/zinc/05/76/02/270057602.db2.gz VGPPNXDWKRTWTO-UHFFFAOYSA-N -2 3 295.697 3.451 20 0 CGADHL Cc1ccc([O-])c(C(=O)Nc2cccc(Cl)c2[O-])c1 ZINC000524504979 270113066 /nfs/dbraw/zinc/11/30/66/270113066.db2.gz IXJSRPMOPPSILD-UHFFFAOYSA-N -2 3 277.707 3.312 20 0 CGADHL Cc1cc(-c2ccc(Cl)cc2[O-])cnc1C(=O)[O-] ZINC001244472558 803389187 /nfs/dbraw/zinc/38/91/87/803389187.db2.gz LJYZNVCJQUHIDH-UHFFFAOYSA-N -2 3 263.680 3.114 20 0 CGADHL Cc1cc(=O)oc2cc([O-])c(O[C@H](C)C3=CC=C[CH]3)cc12 ZINC001226532781 817389403 /nfs/dbraw/zinc/38/94/03/817389403.db2.gz VAWURNFMXFNFQP-LLVKDONJSA-N -2 3 283.303 3.275 20 0 CGADHL C[C@H](Oc1nc(=S)[n-]c2sccc21)C1=CC=C[CH]1 ZINC001229570161 932173143 /nfs/dbraw/zinc/17/31/43/932173143.db2.gz PSEJXMFJGGTHSY-QMMMGPOBSA-N -2 3 275.378 3.448 20 0 CGADHL O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1ccccc1[O-] ZINC000436600785 237141427 /nfs/dbraw/zinc/14/14/27/237141427.db2.gz IJTSZFYVDQNRBC-UHFFFAOYSA-N -2 3 297.232 3.369 20 0 CGADHL O=C(Nc1cc(Cl)ccc1[O-])c1c([O-])cccc1F ZINC000185387791 249056537 /nfs/dbraw/zinc/05/65/37/249056537.db2.gz SZUHBFYXTNJTHQ-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL CCC[C@H]([N-]c1nc(-c2cccc(Cl)c2)no1)C(=O)[O-] ZINC000263552185 620326542 /nfs/dbraw/zinc/32/65/42/620326542.db2.gz LRABNGDXOSOQEC-JTQLQIEISA-N -2 3 295.726 3.055 20 0 CGADHL Cc1cc(Nc2ccc([O-])c(F)c2F)ccc1C(=O)[O-] ZINC001211657141 814927388 /nfs/dbraw/zinc/92/73/88/814927388.db2.gz CAANASNPQUWXSB-UHFFFAOYSA-N -2 3 279.242 3.421 20 0 CGADHL [O-]c1ccc(F)c([N-]c2nonc2C2CC2)c1Cl ZINC001250230390 805506414 /nfs/dbraw/zinc/50/64/14/805506414.db2.gz WMZWZPFGMYZLES-UHFFFAOYSA-N -2 3 269.663 3.189 20 0 CGADHL COc1cc(C(=O)[O-])ccc1Nc1cccc([O-])c1Cl ZINC001174676422 809126936 /nfs/dbraw/zinc/12/69/36/809126936.db2.gz JRWXSVOTUHGRNE-UHFFFAOYSA-N -2 3 293.706 3.496 20 0 CGADHL O=C([O-])Cc1ccc(Nc2cc([O-])c(F)cc2F)cc1 ZINC001174953558 809213358 /nfs/dbraw/zinc/21/33/58/809213358.db2.gz FPOSQTMCFGNKOL-UHFFFAOYSA-N -2 3 279.242 3.041 20 0 CGADHL COc1cc(Nc2ccc([O-])c(F)c2F)cc(C(=O)[O-])c1 ZINC001213591327 815307506 /nfs/dbraw/zinc/30/75/06/815307506.db2.gz XATQCSQKYLOEQC-UHFFFAOYSA-N -2 3 295.241 3.121 20 0 CGADHL O=C([O-])/C=C/c1ccc([N-]c2nnc(-c3ccco3)o2)cc1 ZINC001176590972 809725690 /nfs/dbraw/zinc/72/56/90/809725690.db2.gz ANQDOXXCXDXYKL-VMPITWQZSA-N -2 3 297.270 3.171 20 0 CGADHL O=C([O-])Cc1cccc(Nc2c(F)cc([O-])cc2F)c1 ZINC001210074710 814275637 /nfs/dbraw/zinc/27/56/37/814275637.db2.gz MXXZXWUMIWOZFG-UHFFFAOYSA-N -2 3 279.242 3.041 20 0 CGADHL Cc1cc(Nc2ncc(Cl)cc2[O-])cc(C)c1C(=O)[O-] ZINC001216307503 815773885 /nfs/dbraw/zinc/77/38/85/815773885.db2.gz DLLZOCAVNQZBRG-UHFFFAOYSA-N -2 3 292.722 3.499 20 0 CGADHL O=C([O-])/C=C/c1ccccc1-c1ccc(F)c([O-])c1 ZINC001243049864 823227047 /nfs/dbraw/zinc/22/70/47/823227047.db2.gz AOMCMDJULYSSBO-SOFGYWHQSA-N -2 3 258.248 3.296 20 0 CGADHL C[C@H](OCCCCP(=O)([O-])[O-])c1ccc(F)c(F)c1 ZINC001225019085 816934851 /nfs/dbraw/zinc/93/48/51/816934851.db2.gz QUWAKCVDBATFDH-VIFPVBQESA-N -2 3 294.234 3.000 20 0 CGADHL Cc1cc(=O)oc2c1ccc([O-])c2O[C@@H](C)C1=CC=C[CH]1 ZINC001228621528 817956561 /nfs/dbraw/zinc/95/65/61/817956561.db2.gz BRJFXYNLQLLTPB-NSHDSACASA-N -2 3 283.303 3.275 20 0 CGADHL C[C@H](Oc1ncc(Br)cc1[O-])C1=CC=C[CH]1 ZINC001228955769 932058585 /nfs/dbraw/zinc/05/85/85/932058585.db2.gz LRHJATFOHHBWOB-QMMMGPOBSA-N -2 3 281.129 3.017 20 0 CGADHL O=C(Nc1cccc(F)c1[O-])c1cc(Cl)ccc1[O-] ZINC001587389962 963190095 /nfs/dbraw/zinc/19/00/95/963190095.db2.gz WQAMZAMOSGPRQD-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL O=C([O-])c1ccc2nc(/C=C/c3cccc([O-])c3)oc2c1 ZINC000439267435 238243241 /nfs/dbraw/zinc/24/32/41/238243241.db2.gz DSVUDCITKKAVAK-QPJJXVBHSA-N -2 3 281.267 3.402 20 0 CGADHL Cc1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c([O-])c1 ZINC000235982838 376658171 /nfs/dbraw/zinc/65/81/71/376658171.db2.gz CRKGFBBGIOJRBP-UHFFFAOYSA-N -2 3 286.262 3.262 20 0 CGADHL COc1cccc(C(=O)Nc2cccc(Cl)c2[O-])c1[O-] ZINC000172355635 533420139 /nfs/dbraw/zinc/42/01/39/533420139.db2.gz BADJIKSFSAKZMJ-UHFFFAOYSA-N -2 3 293.706 3.012 20 0 CGADHL Cc1cc(C(C)(C)C(=O)[O-])ccc1-c1ccc(=O)[n-]c1F ZINC000901027915 620827202 /nfs/dbraw/zinc/82/72/02/620827202.db2.gz JEROEPNDHISUDK-UHFFFAOYSA-N -2 3 289.306 3.264 20 0 CGADHL O=C([O-])c1cccc(Nc2nc3c(cccc3[O-])s2)c1 ZINC001175328610 809356554 /nfs/dbraw/zinc/35/65/54/809356554.db2.gz MNUJZLPDBAKAGF-UHFFFAOYSA-N -2 3 286.312 3.444 20 0 CGADHL O=C([O-])Cc1ccc(F)c(Nc2cc([O-])c(F)cc2F)c1 ZINC001216681423 815892380 /nfs/dbraw/zinc/89/23/80/815892380.db2.gz POKGIVMPRZMGRN-UHFFFAOYSA-N -2 3 297.232 3.180 20 0 CGADHL CC(C)[C@H]1CC[C@H](OCCCCP(=O)([O-])[O-])CC1 ZINC001225018595 816932806 /nfs/dbraw/zinc/93/28/06/816932806.db2.gz BQXWKANDJXKUSR-JOCQHMNTSA-N -2 3 278.329 3.176 20 0 CGADHL CC/C=C(\C)[C@@H](CC)OCCCCP(=O)([O-])[O-] ZINC001225018617 816933271 /nfs/dbraw/zinc/93/32/71/816933271.db2.gz CIUSYSSOXKRCMW-JATZPVMKSA-N -2 3 264.302 3.096 20 0 CGADHL C[C@@H](OCCCCP(=O)([O-])[O-])c1ccc(F)c(F)c1 ZINC001225019084 816934687 /nfs/dbraw/zinc/93/46/87/816934687.db2.gz QUWAKCVDBATFDH-SECBINFHSA-N -2 3 294.234 3.000 20 0 CGADHL O=C(Nc1ccc(Cl)cc1[O-])c1cc(F)c([O-])c(F)c1 ZINC000186960584 374945550 /nfs/dbraw/zinc/94/55/50/374945550.db2.gz SQJATOCCUAGTLA-UHFFFAOYSA-N -2 3 299.660 3.282 20 0 CGADHL CC(C)Oc1cccc(-c2nc3ccc([O-])cc3c(=O)[n-]2)c1 ZINC000351861468 542551912 /nfs/dbraw/zinc/55/19/12/542551912.db2.gz LMYNUBCHNHOTIH-UHFFFAOYSA-N -2 3 296.326 3.495 20 0 CGADHL O=c1[n-]c(-c2cccc(Cl)c2)nc2ccc([O-])cc12 ZINC000436926136 542658912 /nfs/dbraw/zinc/65/89/12/542658912.db2.gz KLMQDNOPSHWBMA-UHFFFAOYSA-N -2 3 272.691 3.361 20 0 CGADHL Cc1cccc(C(=O)Nc2c([O-])cccc2Cl)c1[O-] ZINC000552431353 289188934 /nfs/dbraw/zinc/18/89/34/289188934.db2.gz GROPVYMPFYHACH-UHFFFAOYSA-N -2 3 277.707 3.312 20 0 CGADHL O=C([O-])c1ccc(Nc2cc([O-])c(F)cc2F)cc1F ZINC001175157105 809291370 /nfs/dbraw/zinc/29/13/70/809291370.db2.gz DMLHBMFZAOGHTF-UHFFFAOYSA-N -2 3 283.205 3.251 20 0 CGADHL CC(C)(C)c1nc([N-]c2ccc(F)c(C(=O)[O-])c2F)no1 ZINC001215266263 815500724 /nfs/dbraw/zinc/50/07/24/815500724.db2.gz MZEPVBVNRZFTNF-UHFFFAOYSA-N -2 3 297.261 3.087 20 0 CGADHL COc1ccc(C(=O)[O-])cc1Nc1ccc([O-])c(Cl)c1 ZINC001210258223 814369792 /nfs/dbraw/zinc/36/97/92/814369792.db2.gz FWVJBPBYNQMGSP-UHFFFAOYSA-N -2 3 293.706 3.496 20 0 CGADHL CC1(C)[C@H]2CC[C@]1(C)[C@H](OCCCCP(=O)([O-])[O-])C2 ZINC001225018836 816934012 /nfs/dbraw/zinc/93/40/12/816934012.db2.gz IYEJNHRBFOGAKX-OUCADQQQSA-N -2 3 290.340 3.176 20 0 CGADHL Cc1cccc([C@H](C)OCCCCP(=O)([O-])[O-])c1 ZINC001225019562 816934669 /nfs/dbraw/zinc/93/46/69/816934669.db2.gz YLDOGHSWDKDEFL-LBPRGKRZSA-N -2 3 272.281 3.031 20 0 CGADHL C[C@@H](Oc1cc(C(F)(F)F)nc(=S)[n-]1)C1=CC=C[CH]1 ZINC001225853459 817196318 /nfs/dbraw/zinc/19/63/18/817196318.db2.gz QXYULUMXIBPWDA-SSDOTTSWSA-N -2 3 287.286 3.252 20 0 CGADHL CCCC[C@@H](CC)C[C@H](C)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233944254 818737583 /nfs/dbraw/zinc/73/75/83/818737583.db2.gz MPWYKCDXXVYLAG-WDEREUQCSA-N -2 3 292.383 3.020 20 0 CGADHL O=C([O-])/C=C/c1ccccc1-c1ccc(F)cc1[O-] ZINC001242221259 822916717 /nfs/dbraw/zinc/91/67/17/822916717.db2.gz UXMGABJBOTXLBV-VMPITWQZSA-N -2 3 258.248 3.296 20 0 CGADHL Cc1ccc(NC(=O)c2ccc([O-])c(Cl)c2)c([O-])c1 ZINC000040418363 369154896 /nfs/dbraw/zinc/15/48/96/369154896.db2.gz KRZHZKGJGNWPFS-UHFFFAOYSA-N -2 3 277.707 3.312 20 0 CGADHL O=C(Nc1ccc(F)cc1[O-])c1ccc([O-])c(Cl)c1 ZINC000336601926 375865825 /nfs/dbraw/zinc/86/58/25/375865825.db2.gz OGXTWJRZVGXVRF-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL CC(C)(C)CCS(=O)(=O)[N-]c1c([O-])cccc1Cl ZINC000641686940 380046362 /nfs/dbraw/zinc/04/63/62/380046362.db2.gz FDNYRKMPZNQPKN-UHFFFAOYSA-N -2 3 291.800 3.224 20 0 CGADHL O=c1[n-]c(-c2cc([O-])cc(Cl)c2)nc2ccc([O-])cc12 ZINC000436932708 542659154 /nfs/dbraw/zinc/65/91/54/542659154.db2.gz QTEPNQWEMMZKTB-UHFFFAOYSA-N -3 3 288.690 3.067 20 0 CGADHL Cc1cc(C(=O)/C=C/c2ccc([N+](=O)[O-])c([O-])c2)ccc1[O-] ZINC000077166009 640227226 /nfs/dbraw/zinc/22/72/26/640227226.db2.gz MZUYJWMYJPICQT-ZZXKWVIFSA-N -2 3 299.282 3.211 20 0 CGADHL CCCCS(=O)(=O)[N-]c1c([O-])ccc2ccccc21 ZINC001253848822 806315968 /nfs/dbraw/zinc/31/59/68/806315968.db2.gz DCPGNOFVNANEBS-UHFFFAOYSA-N -2 3 279.361 3.087 20 0 CGADHL Cc1ccc(Nc2cnc(F)c(C(=O)[O-])c2)c(Cl)c1[O-] ZINC001215113589 815485115 /nfs/dbraw/zinc/48/51/15/815485115.db2.gz HMHWDGIKRCHZLU-UHFFFAOYSA-N -2 3 296.685 3.330 20 0 CGADHL O=C([O-])c1cc(F)cc(Nc2cc([O-])c(F)cc2F)c1 ZINC001209889062 814189488 /nfs/dbraw/zinc/18/94/88/814189488.db2.gz KWIBICPUTGAPLC-UHFFFAOYSA-N -2 3 283.205 3.251 20 0 CGADHL O=C([O-])c1cc(F)cc(Nc2c(F)cc([O-])cc2F)c1 ZINC001209894888 814191355 /nfs/dbraw/zinc/19/13/55/814191355.db2.gz ZOJNYLDUHSTBIK-UHFFFAOYSA-N -2 3 283.205 3.251 20 0 CGADHL Cc1ccc(Nc2ncc(Cl)cc2[O-])cc1C(=O)[O-] ZINC001211594505 814913898 /nfs/dbraw/zinc/91/38/98/814913898.db2.gz XQCNJSURCDKIEQ-UHFFFAOYSA-N -2 3 278.695 3.191 20 0 CGADHL C[C@@H](OCCP(=O)([O-])[O-])c1ccc(Cl)c(Cl)c1 ZINC001224604722 816832546 /nfs/dbraw/zinc/83/25/46/816832546.db2.gz FNXAZVSWAOTXLU-SSDOTTSWSA-N -2 3 299.090 3.249 20 0 CGADHL O=C(Nc1c([O-])cccc1Cl)c1c([O-])cccc1F ZINC001468456635 937728205 /nfs/dbraw/zinc/72/82/05/937728205.db2.gz ZWLKJIGYHCBTIP-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL O=c1cc(C=Cc2cc(F)c([O-])c(F)c2)nc(C2CC2)[n-]1 ZINC000436934944 237216252 /nfs/dbraw/zinc/21/62/52/237216252.db2.gz UUYYMVDQSCNUPA-RJRFIUFISA-N -2 3 290.269 3.214 20 0 CGADHL [O-]c1ccc(-c2noc(-c3ccccc3[O-])n2)c(Cl)c1 ZINC000445446399 393793913 /nfs/dbraw/zinc/79/39/13/393793913.db2.gz LPEGINXHYLRGQO-UHFFFAOYSA-N -2 3 288.690 3.468 20 0 CGADHL Cc1ccc(NC(=O)c2cccc(NC(=O)[O-])c2)c([O-])c1 ZINC000738627140 572383123 /nfs/dbraw/zinc/38/31/23/572383123.db2.gz GFQNAVVDXHTCBK-UHFFFAOYSA-N -2 3 286.287 3.043 20 0 CGADHL Cc1cc(F)cc(-c2nc3cc(C(=O)[O-])ccc3c(=O)[n-]2)c1 ZINC000832887318 604396963 /nfs/dbraw/zinc/39/69/63/604396963.db2.gz PWUYAGAAUDTWMF-UHFFFAOYSA-N -2 3 298.273 3.148 20 0 CGADHL O=C(Nc1cc(Cl)c([O-])cc1F)c1ccccc1[O-] ZINC000170190343 621699949 /nfs/dbraw/zinc/69/99/49/621699949.db2.gz ACBGYKHKNULGBO-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL O=C([O-])c1ccccc1Nc1cc([O-])c(F)cc1F ZINC001210967549 814694211 /nfs/dbraw/zinc/69/42/11/814694211.db2.gz IZAWPAAFFASXBH-UHFFFAOYSA-N -2 3 265.215 3.112 20 0 CGADHL Cc1ccc(-c2cccc([S-])c2)cc1-c1nnn[n-]1 ZINC001242867004 823158817 /nfs/dbraw/zinc/15/88/17/823158817.db2.gz HFMSVGFJEDKZSR-UHFFFAOYSA-N -2 3 268.345 3.131 20 0 CGADHL Cc1ccc(-c2cccc([S-])c2)cc1-c1nn[n-]n1 ZINC001242867004 823158819 /nfs/dbraw/zinc/15/88/19/823158819.db2.gz HFMSVGFJEDKZSR-UHFFFAOYSA-N -2 3 268.345 3.131 20 0 CGADHL Cc1ccc([C@H](C)OCCCCP(=O)([O-])[O-])cc1 ZINC001225018751 816932584 /nfs/dbraw/zinc/93/25/84/816932584.db2.gz HEQMWVKHANZWJX-LBPRGKRZSA-N -2 3 272.281 3.031 20 0 CGADHL CC(C)[C@H](OCCCCP(=O)([O-])[O-])c1ccccc1 ZINC001225018623 816932882 /nfs/dbraw/zinc/93/28/82/816932882.db2.gz CTUUOGLJTWNGAM-AWEZNQCLSA-N -2 3 286.308 3.358 20 0 CGADHL Cc1ccccc1[C@@H](C)OCCCCP(=O)([O-])[O-] ZINC001225018967 816934587 /nfs/dbraw/zinc/93/45/87/816934587.db2.gz NGYSOSJNAFWNKX-GFCCVEGCSA-N -2 3 272.281 3.031 20 0 CGADHL CCC[C@H](OCCCCP(=O)([O-])[O-])[C@H](C)CC ZINC001225023296 816934794 /nfs/dbraw/zinc/93/47/94/816934794.db2.gz WWQPSXYSBYETKE-NEPJUHHUSA-N -2 3 266.318 3.176 20 0 CGADHL O=C(Nc1cc(Cl)ccc1[O-])c1cc(F)c([O-])c(F)c1 ZINC000177099814 232355774 /nfs/dbraw/zinc/35/57/74/232355774.db2.gz BRRFIBJMTLNRME-UHFFFAOYSA-N -2 3 299.660 3.282 20 0 CGADHL Cc1ccc(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)c([O-])c1 ZINC000436873599 237200130 /nfs/dbraw/zinc/20/01/30/237200130.db2.gz SEELWYWBWCLYDY-UHFFFAOYSA-N -2 3 299.326 3.268 20 0 CGADHL Cc1cccc([O-])c1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000334581920 374881771 /nfs/dbraw/zinc/88/17/71/374881771.db2.gz JHAOJJZOWWYFCY-UHFFFAOYSA-N -2 3 295.697 3.451 20 0 CGADHL O=C(Nc1ccc(Cl)cc1[O-])c1c([O-])cc(F)cc1F ZINC000153672080 542114111 /nfs/dbraw/zinc/11/41/11/542114111.db2.gz AXTWOAYBYCOULT-UHFFFAOYSA-N -2 3 299.660 3.282 20 0 CGADHL CC[C@@H](Cc1ccccc1-c1ccc(=O)[n-]c1F)C(=O)[O-] ZINC000901030616 620826930 /nfs/dbraw/zinc/82/69/30/620826930.db2.gz XPENNMBZHIDOQV-JTQLQIEISA-N -2 3 289.306 3.247 20 0 CGADHL Cc1ccc(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)c([O-])c1 ZINC000237618818 624663886 /nfs/dbraw/zinc/66/38/86/624663886.db2.gz IFYSYBAMHIIXRA-WEVVVXLNSA-N -2 3 297.310 3.051 20 0 CGADHL O=C1[N-]C(=O)C(=Cc2cc(Cl)c([O-])cc2Cl)S1 ZINC000874928169 634654051 /nfs/dbraw/zinc/65/40/51/634654051.db2.gz KSOWBOKQUPIHNP-KRXBUXKQSA-N -2 3 290.127 3.023 20 0 CGADHL [O-]c1cc(F)c(-c2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC001245672115 803903063 /nfs/dbraw/zinc/90/30/63/803903063.db2.gz PKFRELKRVUTJIT-UHFFFAOYSA-N -2 3 290.685 3.032 20 0 CGADHL O=C([O-])c1ccc(Nc2ncc(F)cc2[O-])cc1Cl ZINC001175314058 809352003 /nfs/dbraw/zinc/35/20/03/809352003.db2.gz BEMJURMJUHMROL-UHFFFAOYSA-N -2 3 282.658 3.022 20 0 CGADHL O=C([O-])c1ccc(Nc2ccc([O-])c(F)c2F)cc1 ZINC001176712414 809746840 /nfs/dbraw/zinc/74/68/40/809746840.db2.gz XKZOHBGZWKJCCH-UHFFFAOYSA-N -2 3 265.215 3.112 20 0 CGADHL C[C@H](OCCP(=O)([O-])[O-])c1ccc(Cl)cc1Cl ZINC001224604670 816833246 /nfs/dbraw/zinc/83/32/46/816833246.db2.gz FKMTWTIGZZKTLC-ZETCQYMHSA-N -2 3 299.090 3.249 20 0 CGADHL Cc1ccc(Nc2cc(C(=O)[O-])cnc2F)c(Cl)c1[O-] ZINC001215131516 815486910 /nfs/dbraw/zinc/48/69/10/815486910.db2.gz DMMRWGQJDWYCIS-UHFFFAOYSA-N -2 3 296.685 3.330 20 0 CGADHL [O-]c1cc(F)c(Nc2cc(F)c([O-])cc2F)cc1F ZINC001215574560 815538597 /nfs/dbraw/zinc/53/85/97/815538597.db2.gz ZZTFODSPTVPOIF-UHFFFAOYSA-N -2 3 273.185 3.398 20 0 CGADHL Cc1cc(Nc2cc([O-])c(F)cc2F)cc(C(=O)[O-])c1 ZINC001211545170 814905483 /nfs/dbraw/zinc/90/54/83/814905483.db2.gz VTWSWRFKIWLKGJ-UHFFFAOYSA-N -2 3 279.242 3.421 20 0 CGADHL CCCC[C@H](OCCP(=O)([O-])[O-])[C@@H](C)CCC ZINC001224602268 816831934 /nfs/dbraw/zinc/83/19/34/816831934.db2.gz PGBSXXRZDWLLSI-RYUDHWBXSA-N -2 3 266.318 3.176 20 0 CGADHL CCCCCC[C@@H](CCC)OCCP(=O)([O-])[O-] ZINC001224602715 816831958 /nfs/dbraw/zinc/83/19/58/816831958.db2.gz SQSKBVNPXLKSBM-GFCCVEGCSA-N -2 3 266.318 3.320 20 0 CGADHL C[C@H](OCCP(=O)([O-])[O-])c1cc2ccccc2s1 ZINC001224607778 816832882 /nfs/dbraw/zinc/83/28/82/816832882.db2.gz VIVXIAPRRMCFKU-VIFPVBQESA-N -2 3 286.289 3.157 20 0 CGADHL CCC[C@@H](OCCCCP(=O)([O-])[O-])[C@@H](C)CC ZINC001225023297 816934430 /nfs/dbraw/zinc/93/44/30/816934430.db2.gz WWQPSXYSBYETKE-NWDGAFQWSA-N -2 3 266.318 3.176 20 0 CGADHL [O-]c1ccc(-c2nc[n-]c3nc(=S)sc2-3)c(F)c1F ZINC001243339070 823352514 /nfs/dbraw/zinc/35/25/14/823352514.db2.gz JQJDCNQDIGYECE-UHFFFAOYSA-N -2 3 297.311 3.026 20 0 CGADHL COc1ccc(C(=O)Nc2cc(Cl)ccc2[O-])c([O-])c1 ZINC000067138857 345315806 /nfs/dbraw/zinc/31/58/06/345315806.db2.gz ADPKSLPVQABNPN-UHFFFAOYSA-N -2 3 293.706 3.012 20 0 CGADHL C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000634834675 351593896 /nfs/dbraw/zinc/59/38/96/351593896.db2.gz JEYIYZCYXVVUFJ-SNVBAGLBSA-N -2 3 293.363 3.129 20 0 CGADHL CC(=O)c1ccc([O-])c(NC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC000436678719 527322115 /nfs/dbraw/zinc/32/21/15/527322115.db2.gz HNIQSMLUGZCTIF-UHFFFAOYSA-N -2 3 299.326 3.170 20 0 CGADHL Cc1ccc(C(=O)Nc2cc(C(=O)[O-])cs2)c([O-])c1C ZINC000832913499 604706574 /nfs/dbraw/zinc/70/65/74/604706574.db2.gz FHODAFPRAKOSAH-UHFFFAOYSA-N -2 3 291.328 3.021 20 0 CGADHL O=C([O-])/C=C\c1cnc(/C=C\c2ccc([O-])c(F)c2)s1 ZINC000755601578 626631208 /nfs/dbraw/zinc/63/12/08/626631208.db2.gz POAQOLVVRVIEIB-SXUARNTMSA-N -2 3 291.303 3.256 20 0 CGADHL O=C([O-])c1cccc(Nc2cc(F)c([O-])c(F)c2)c1 ZINC001175330857 809359121 /nfs/dbraw/zinc/35/91/21/809359121.db2.gz FOXJVWTZCCOBOF-UHFFFAOYSA-N -2 3 265.215 3.112 20 0 CGADHL O=C([O-])CCc1ccc(Nc2cc([O-])c(F)cc2F)cc1 ZINC001213629836 815314350 /nfs/dbraw/zinc/31/43/50/815314350.db2.gz SVIZLCXRKJBOTQ-UHFFFAOYSA-N -2 3 293.269 3.431 20 0 CGADHL C[C@H](OCCCCP(=O)([O-])[O-])c1cccc(F)c1F ZINC001225018670 816933218 /nfs/dbraw/zinc/93/32/18/816933218.db2.gz DWZNFDDXMBENHO-VIFPVBQESA-N -2 3 294.234 3.000 20 0 CGADHL C[C@@H](OCCCCP(=O)([O-])[O-])c1ccccc1Cl ZINC001225022376 816934878 /nfs/dbraw/zinc/93/48/78/816934878.db2.gz OBERHXNIMLEVEI-SNVBAGLBSA-N -2 3 292.699 3.376 20 0 CGADHL [O-]c1c(F)cccc1-c1nc[n-]c2nc(=S)sc1-2 ZINC001242349634 822960692 /nfs/dbraw/zinc/96/06/92/822960692.db2.gz UPIIGEAKJVAOCP-UHFFFAOYSA-N -2 3 279.321 3.212 20 0 CGADHL CCCC[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)[O-] ZINC001595650714 982011962 /nfs/dbraw/zinc/01/19/62/982011962.db2.gz MCOZWTIUUGBDIV-MRVPVSSYSA-N -2 3 294.134 3.122 20 0 CGADHL CC(C)(C)c1ccc(NC(=O)CC(C)(C)C(=O)[O-])c([O-])c1 ZINC000337657975 214201697 /nfs/dbraw/zinc/20/16/97/214201697.db2.gz JJMRGWULZYFYIM-UHFFFAOYSA-N -2 3 293.363 3.129 20 0 CGADHL Cc1ccc2nc(-c3ccc([O-])cc3Cl)[n-]c(=O)c2c1 ZINC000190098176 375477718 /nfs/dbraw/zinc/47/77/18/375477718.db2.gz SOAOJHUODOSKKK-UHFFFAOYSA-N -2 3 286.718 3.258 20 0 CGADHL CCc1cccc(C(=O)Nc2cc(C(C)=O)ccc2[O-])c1[O-] ZINC000540975029 376410013 /nfs/dbraw/zinc/41/00/13/376410013.db2.gz NQZOLQSNMWPGDM-UHFFFAOYSA-N -2 3 299.326 3.115 20 0 CGADHL O=C([O-])c1cc(Nc2cc([O-])c(F)cc2F)cs1 ZINC001176439672 809698257 /nfs/dbraw/zinc/69/82/57/809698257.db2.gz XNHFWOAGKORMNT-UHFFFAOYSA-N -2 3 271.244 3.174 20 0 CGADHL O=C([O-])Cc1cccc(Nc2cc([O-])c(F)cc2F)c1 ZINC001210070347 814273320 /nfs/dbraw/zinc/27/33/20/814273320.db2.gz DTSLQODZFSDNME-UHFFFAOYSA-N -2 3 279.242 3.041 20 0 CGADHL CCCC[C@H](CC)[C@@H](CC)OCCP(=O)([O-])[O-] ZINC001224602231 816831785 /nfs/dbraw/zinc/83/17/85/816831785.db2.gz PDDRBKGVGQXQSI-NWDGAFQWSA-N -2 3 266.318 3.176 20 0 CGADHL C/C=C/[C@@H](OCCCCP(=O)([O-])[O-])C1CCCCC1 ZINC001225019506 816934767 /nfs/dbraw/zinc/93/47/67/816934767.db2.gz XSGJHDQBKDFWOB-JPFFYJABSA-N -2 3 290.340 3.486 20 0 CGADHL O=C(Nc1c([O-])cccc1Cl)c1ccc([O-])c(F)c1 ZINC001569682793 961818032 /nfs/dbraw/zinc/81/80/32/961818032.db2.gz UPRBWOFVEQEMMS-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL Cc1cc(Cl)cc(NC(=O)c2ccccc2[O-])c1[O-] ZINC000033854195 344936832 /nfs/dbraw/zinc/93/68/32/344936832.db2.gz PIBDGKJZGFZRND-UHFFFAOYSA-N -2 3 277.707 3.312 20 0 CGADHL O=C(Nc1c([O-])cccc1F)c1ccc([O-])c(Cl)c1 ZINC000608365306 348301178 /nfs/dbraw/zinc/30/11/78/348301178.db2.gz CWEQMYCIDPPGNV-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL O=S(=O)(CCC1CCCCC1)[N-]c1ccccc1[O-] ZINC000634785013 351587663 /nfs/dbraw/zinc/58/76/63/351587663.db2.gz PNNSQSTVBGYHQB-UHFFFAOYSA-N -2 3 283.393 3.104 20 0 CGADHL C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(C(C)(C)C)cc1[O-] ZINC000634834674 351593889 /nfs/dbraw/zinc/59/38/89/351593889.db2.gz JEYIYZCYXVVUFJ-JTQLQIEISA-N -2 3 293.363 3.129 20 0 CGADHL CCc1ccc([O-])c(C(=O)Nc2cc(C(C)=O)ccc2[O-])c1 ZINC000512545966 245041096 /nfs/dbraw/zinc/04/10/96/245041096.db2.gz XYQVOFACKPAMRQ-UHFFFAOYSA-N -2 3 299.326 3.115 20 0 CGADHL Cc1cccc([O-])c1NC(=O)c1ccc(Cl)cc1[O-] ZINC000183036307 374359371 /nfs/dbraw/zinc/35/93/71/374359371.db2.gz HKXAKSDTQSBCMJ-UHFFFAOYSA-N -2 3 277.707 3.312 20 0 CGADHL O=C(Nc1ccc([O-])c(Cl)c1)c1ccc([O-])c(F)c1 ZINC000768299510 627472839 /nfs/dbraw/zinc/47/28/39/627472839.db2.gz JBBSZNYLWSXIIY-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL O=C(Nc1cc(Cl)ccc1[O-])c1cccc(F)c1[O-] ZINC001137704149 803761230 /nfs/dbraw/zinc/76/12/30/803761230.db2.gz VHSPBMXNRGIAFD-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL [O-]c1cc(F)c(-c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC001245671135 803900421 /nfs/dbraw/zinc/90/04/21/803900421.db2.gz FUILUZJGWBGOAM-UHFFFAOYSA-N -2 3 290.685 3.032 20 0 CGADHL COc1cc(Nc2cccc([O-])c2Cl)cc(C(=O)[O-])c1 ZINC001213594580 815308188 /nfs/dbraw/zinc/30/81/88/815308188.db2.gz CMOSOFUOMVLAMZ-UHFFFAOYSA-N -2 3 293.706 3.496 20 0 CGADHL COc1cc(Nc2c(F)cc([O-])cc2F)cc(C(=O)[O-])c1 ZINC001213597405 815309476 /nfs/dbraw/zinc/30/94/76/815309476.db2.gz XJDZCCTWCDZWFA-UHFFFAOYSA-N -2 3 295.241 3.121 20 0 CGADHL O=C([O-])CCc1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001213634654 815315564 /nfs/dbraw/zinc/31/55/64/815315564.db2.gz VZYXKAVKVJEIRG-UHFFFAOYSA-N -2 3 293.269 3.431 20 0 CGADHL CCCCC[C@H]1CC[C@H](OCCP(=O)([O-])[O-])CC1 ZINC001224603057 816832817 /nfs/dbraw/zinc/83/28/17/816832817.db2.gz VGROOTMIGSHBDY-JOCQHMNTSA-N -2 3 278.329 3.320 20 0 CGADHL O=S(=O)([O-])c1cccc(Nc2cccc(Cl)c2[O-])c1 ZINC001210219272 814347199 /nfs/dbraw/zinc/34/71/99/814347199.db2.gz IEIOXKXIWHGSEM-UHFFFAOYSA-N -2 3 299.735 3.036 20 0 CGADHL COc1c(Nc2cccc(Cl)c2[O-])cccc1C(=O)[O-] ZINC001211037091 814714286 /nfs/dbraw/zinc/71/42/86/814714286.db2.gz FZVXTZDAQGACCQ-UHFFFAOYSA-N -2 3 293.706 3.496 20 0 CGADHL Cc1c(Nc2ccc([O-])c(F)c2F)cccc1C(=O)[O-] ZINC001216660674 815888225 /nfs/dbraw/zinc/88/82/25/815888225.db2.gz PHSTXEGBRGMXBN-UHFFFAOYSA-N -2 3 279.242 3.421 20 0 CGADHL CCCCC[C@H](CCCC)OCCP(=O)([O-])[O-] ZINC001224602912 816830578 /nfs/dbraw/zinc/83/05/78/816830578.db2.gz UECWGFZXKLEBRX-LBPRGKRZSA-N -2 3 266.318 3.320 20 0 CGADHL C[C@H](OCCP(=O)([O-])[O-])c1cc(Cl)ccc1Cl ZINC001224600865 816831364 /nfs/dbraw/zinc/83/13/64/816831364.db2.gz AXSFPIPHTCADKC-ZETCQYMHSA-N -2 3 299.090 3.249 20 0 CGADHL O=P([O-])([O-])CCO[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC001224602184 816831486 /nfs/dbraw/zinc/83/14/86/816831486.db2.gz OUXHMVLJTABFQA-ZIAGYGMSSA-N -2 3 290.340 3.320 20 0 CGADHL CC[C@H](OCCCCP(=O)([O-])[O-])c1ccccc1F ZINC001225018742 816932777 /nfs/dbraw/zinc/93/27/77/816932777.db2.gz GXHWBQWTPCOIOK-ZDUSSCGKSA-N -2 3 290.271 3.251 20 0 CGADHL CCCC[C@@H](CCC)OCCCCP(=O)([O-])[O-] ZINC001225019067 816934948 /nfs/dbraw/zinc/93/49/48/816934948.db2.gz QBUUJFXKKCMJDS-GFCCVEGCSA-N -2 3 266.318 3.320 20 0 CGADHL Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)c([O-])c1C ZINC001594325566 958167480 /nfs/dbraw/zinc/16/74/80/958167480.db2.gz NRHBFHKMEMZSMW-UHFFFAOYSA-N -2 3 299.326 3.268 20 0 CGADHL Cc1ccc([O-])c(C(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c1 ZINC000396422454 972879565 /nfs/dbraw/zinc/87/95/65/972879565.db2.gz DHPFFJRWHPEVDA-LLVKDONJSA-N -2 3 299.326 3.141 20 0 CGADHL O=C(Nc1ccccc1[O-])c1cc(Cl)ccc1[O-] ZINC000082316845 370001779 /nfs/dbraw/zinc/00/17/79/370001779.db2.gz DQJXHLUTUOLHSC-UHFFFAOYSA-N -2 3 263.680 3.004 20 0 CGADHL O=C(Nc1cc(Cl)cc(Cl)c1[O-])c1cncc([O-])c1 ZINC000230871678 376543031 /nfs/dbraw/zinc/54/30/31/376543031.db2.gz ODEKGBVHSWIADH-UHFFFAOYSA-N -2 3 299.113 3.052 20 0 CGADHL Cc1ccc(C(=O)Nc2cc(C)c(C)c(C(=O)[O-])c2)c([O-])c1 ZINC000315064150 249098164 /nfs/dbraw/zinc/09/81/64/249098164.db2.gz QYYJGXUUXXOQCP-UHFFFAOYSA-N -2 3 299.326 3.268 20 0 CGADHL COc1cc(Nc2cc([O-])c(F)cc2F)ccc1C(=O)[O-] ZINC001174685683 809130863 /nfs/dbraw/zinc/13/08/63/809130863.db2.gz VDGDSVFREZOOPV-UHFFFAOYSA-N -2 3 295.241 3.121 20 0 CGADHL O=C([O-])c1cccc(Nc2ccc([O-])c(Cl)c2)c1 ZINC001175331749 809360155 /nfs/dbraw/zinc/36/01/55/809360155.db2.gz MHAFAJPXVQJUBV-UHFFFAOYSA-N -2 3 263.680 3.487 20 0 CGADHL O=C([O-])c1ccc(Nc2ccc([O-])c(Cl)c2)cc1 ZINC001176712939 809747537 /nfs/dbraw/zinc/74/75/37/809747537.db2.gz VDGILYACJFHZBL-UHFFFAOYSA-N -2 3 263.680 3.487 20 0 CGADHL Cc1cc(Nc2ncc(Cl)cc2[O-])cc(C(=O)[O-])c1 ZINC001211537391 814903126 /nfs/dbraw/zinc/90/31/26/814903126.db2.gz HVOUTGJONMEYPW-UHFFFAOYSA-N -2 3 278.695 3.191 20 0 CGADHL Cc1nonc1[N-]c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC001216358343 815798950 /nfs/dbraw/zinc/79/89/50/815798950.db2.gz PIXTUTIGIMOPAI-UHFFFAOYSA-N -2 3 288.090 3.127 20 0 CGADHL CC[C@@H](OCCCCP(=O)([O-])[O-])C1CCCCC1 ZINC001225019124 816935021 /nfs/dbraw/zinc/93/50/21/816935021.db2.gz RYRBFRREMLQDMW-CYBMUJFWSA-N -2 3 278.329 3.320 20 0 CGADHL CCCCC[C@@H](CCCC)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233938147 818736362 /nfs/dbraw/zinc/73/63/62/818736362.db2.gz AVVGNWGNCBZNJO-LLVKDONJSA-N -2 3 292.383 3.164 20 0 CGADHL C[C@H](Oc1nc[n-]c(=O)c1-c1ccccc1)C1=CC=C[CH]1 ZINC001234690731 818917029 /nfs/dbraw/zinc/91/70/29/818917029.db2.gz CZCCWLQDJOUTHA-LBPRGKRZSA-N -2 3 279.319 3.317 20 0 CGADHL CC(C)(C)O[N-]C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC001340013798 936395159 /nfs/dbraw/zinc/39/51/59/936395159.db2.gz UYPCDMLRSIUUOX-UHFFFAOYSA-N -2 3 292.364 3.057 20 0 CGADHL O=C(Nc1ccc([O-])c(Cl)c1)c1cccc(F)c1[O-] ZINC001545953892 937345843 /nfs/dbraw/zinc/34/58/43/937345843.db2.gz NWUKDKNIHKIORG-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL O=C([O-])c1cc(NCc2ccc([O-])c(F)c2)ccc1Cl ZINC000232422048 960264800 /nfs/dbraw/zinc/26/48/00/960264800.db2.gz KPLGHMXZDBTJNM-UHFFFAOYSA-N -2 3 295.697 3.495 20 0 CGADHL CSCc1ccc(-c2nc3ccc([O-])cc3c(=O)[n-]2)cc1 ZINC000351861333 219228990 /nfs/dbraw/zinc/22/89/90/219228990.db2.gz KWDPMXOYRWLKCB-UHFFFAOYSA-N -2 3 298.367 3.159 20 0 CGADHL O=c1[n-]c(-c2c[nH]c3ccccc23)nc2ccc([O-])cc12 ZINC000351854739 542551852 /nfs/dbraw/zinc/55/18/52/542551852.db2.gz RGYBCANJIQAASU-UHFFFAOYSA-N -2 3 277.283 3.189 20 0 CGADHL Cc1cscc1-c1nc2ccc([O-])cc2c(=O)[n-]1 ZINC000351862724 542551927 /nfs/dbraw/zinc/55/19/27/542551927.db2.gz QAQBNNMSFRPXOW-UHFFFAOYSA-N -2 3 258.302 3.078 20 0 CGADHL [O-]c1cccc(/C=C/c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000445480078 393798863 /nfs/dbraw/zinc/79/88/63/393798863.db2.gz YIIKZBJCXYESTO-QPJJXVBHSA-N -2 3 298.273 3.457 20 0 CGADHL O=C([O-])c1cnc(C=Cc2ccc3ccccc3c2)[n-]c1=O ZINC000670369757 543151770 /nfs/dbraw/zinc/15/17/70/543151770.db2.gz ADGPAUZCLRBQEI-VURMDHGXSA-N -2 3 292.294 3.204 20 0 CGADHL CC(C)(C)c1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc1 ZINC000670369995 543151801 /nfs/dbraw/zinc/15/18/01/543151801.db2.gz PQDDMWYVKPMOIH-RMKNXTFCSA-N -2 3 298.342 3.348 20 0 CGADHL CCC[C@H](CC)S(=O)(=O)[N-]c1cc(Cl)ccc1[O-] ZINC000580511900 331307911 /nfs/dbraw/zinc/30/79/11/331307911.db2.gz NMRIOUTYPIJTPO-JTQLQIEISA-N -2 3 291.800 3.366 20 0 CGADHL O=C(Nc1ccccc1[O-])c1cc(F)cc(Cl)c1[O-] ZINC000176987511 534399500 /nfs/dbraw/zinc/39/95/00/534399500.db2.gz GAILNQLNGXRYIJ-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL C[C@H]1C[C@@H](OCCCCP(=O)([O-])[O-])CC(C)(C)C1 ZINC001225021422 816934566 /nfs/dbraw/zinc/93/45/66/816934566.db2.gz HGRNYGQIVQDAJZ-NWDGAFQWSA-N -2 3 278.329 3.176 20 0 CGADHL O=C([O-])c1ccc(Nc2cc([O-])c(F)cc2F)c(F)c1 ZINC001203292895 812296480 /nfs/dbraw/zinc/29/64/80/812296480.db2.gz NKFUPLWIAALXOB-UHFFFAOYSA-N -2 3 283.205 3.251 20 0 CGADHL Cc1c(F)cc(C(=O)[O-])cc1[N-]c1nnc(C(C)(C)C)o1 ZINC001210005611 814238842 /nfs/dbraw/zinc/23/88/42/814238842.db2.gz LYGVRKLZYYGQJR-UHFFFAOYSA-N -2 3 293.298 3.256 20 0 CGADHL C[C@@H](OCCP(=O)([O-])[O-])c1cc2ccccc2s1 ZINC001224607777 816832704 /nfs/dbraw/zinc/83/27/04/816832704.db2.gz VIVXIAPRRMCFKU-SECBINFHSA-N -2 3 286.289 3.157 20 0 CGADHL CCC[C@H]1CCCC[C@H]1OCCCCP(=O)([O-])[O-] ZINC001225018639 816932680 /nfs/dbraw/zinc/93/26/80/816932680.db2.gz DGDJMBKNLXJMSG-QWHCGFSZSA-N -2 3 278.329 3.320 20 0 CGADHL Cc1ccc([O-])c(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)c1 ZINC000396422456 972878721 /nfs/dbraw/zinc/87/87/21/972878721.db2.gz DHPFFJRWHPEVDA-NSHDSACASA-N -2 3 299.326 3.141 20 0 CGADHL O=S(=O)([N-]c1cc(Cl)ccc1[O-])C1=CCCCC1 ZINC000281176574 195135702 /nfs/dbraw/zinc/13/57/02/195135702.db2.gz NHMXDIIMIDMDBC-UHFFFAOYSA-N -2 3 287.768 3.245 20 0 CGADHL CCCOc1ccc(-c2nc3ccc([O-])cc3c(=O)[n-]2)cc1 ZINC000484947698 542708226 /nfs/dbraw/zinc/70/82/26/542708226.db2.gz QHXRIHOEUPLNTG-UHFFFAOYSA-N -2 3 296.326 3.085 20 0 CGADHL CC(C)OCc1cccc(-c2ncc(C(=O)[O-])cc2[O-])c1 ZINC000657203623 419230951 /nfs/dbraw/zinc/23/09/51/419230951.db2.gz DACXOFBDCZKVJN-UHFFFAOYSA-N -2 3 287.315 3.077 20 0 CGADHL Cc1ccc(C(=O)Nc2cc(Cl)c([O-])cc2F)c([O-])c1 ZINC000805257284 627122793 /nfs/dbraw/zinc/12/27/93/627122793.db2.gz WVGJABGMMBNBPP-UHFFFAOYSA-N -2 3 295.697 3.451 20 0 CGADHL Cc1cc(-c2nc[n-]c3nc(=S)sc2-3)cc([O-])c1F ZINC001244507929 803411333 /nfs/dbraw/zinc/41/13/33/803411333.db2.gz QLLMWUVCZHGIBR-UHFFFAOYSA-N -2 3 293.348 3.195 20 0 CGADHL O=C([O-])c1ccc(Nc2cc([O-])c(F)cc2F)s1 ZINC001174810356 809169117 /nfs/dbraw/zinc/16/91/17/809169117.db2.gz LFQHCEJANQKQBM-UHFFFAOYSA-N -2 3 271.244 3.174 20 0 CGADHL O=C([O-])c1cccc(Nc2cccc(Cl)c2[O-])c1 ZINC001175328693 809356494 /nfs/dbraw/zinc/35/64/94/809356494.db2.gz AZUARQJHNNXVDN-UHFFFAOYSA-N -2 3 263.680 3.487 20 0 CGADHL O=C([O-])c1ccc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC001176711157 809746646 /nfs/dbraw/zinc/74/66/46/809746646.db2.gz ZVNYPHMTYKBLKV-UHFFFAOYSA-N -2 3 295.298 3.020 20 0 CGADHL CC(C)(C)c1nc([N-]c2cc(F)c(C(=O)[O-])c(F)c2)no1 ZINC001203316498 812308085 /nfs/dbraw/zinc/30/80/85/812308085.db2.gz PDXRDGCPUMLFCL-UHFFFAOYSA-N -2 3 297.261 3.087 20 0 CGADHL Cc1ccc(Nc2c(F)cc([O-])cc2F)cc1C(=O)[O-] ZINC001211608251 814918097 /nfs/dbraw/zinc/91/80/97/814918097.db2.gz OZWCCYLNVIYZHD-UHFFFAOYSA-N -2 3 279.242 3.421 20 0 CGADHL O=P([O-])([O-])CCCCO[C@@H]1CCCc2ccccc21 ZINC001225018576 816932168 /nfs/dbraw/zinc/93/21/68/816932168.db2.gz BBQCGGLCMIYWMP-CQSZACIVSA-N -2 3 284.292 3.039 20 0 CGADHL CC[C@@H](C)CC[C@@H](C)OCCCCP(=O)([O-])[O-] ZINC001225018685 816932908 /nfs/dbraw/zinc/93/29/08/816932908.db2.gz FJJXWXCTTMXWEM-VXGBXAGGSA-N -2 3 266.318 3.176 20 0 CGADHL CC[C@@H](C)C[C@@H](CC)OCCCCP(=O)([O-])[O-] ZINC001225022025 816933839 /nfs/dbraw/zinc/93/38/39/816933839.db2.gz LOEBVIMTMGMAMV-VXGBXAGGSA-N -2 3 266.318 3.176 20 0 CGADHL CCCC[C@H](CC)[C@H](CC)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233943377 818736778 /nfs/dbraw/zinc/73/67/78/818736778.db2.gz IQBQVCBPZLYFAW-JQWIXIFHSA-N -2 3 292.383 3.020 20 0 CGADHL COc1cc([O-])c(C)c(O[C@H](C)C2=CC=C[CH]2)c1C(C)=O ZINC001234790881 818924838 /nfs/dbraw/zinc/92/48/38/818924838.db2.gz KMSAVXZKCRYNEW-GFCCVEGCSA-N -2 3 287.335 3.380 20 0 CGADHL O=c1[n-]c(-c2ccc([O-])cc2Cl)nc2ccc([O-])cc12 ZINC000438871637 542662923 /nfs/dbraw/zinc/66/29/23/542662923.db2.gz BBPOSFGLRREFTJ-UHFFFAOYSA-N -3 3 288.690 3.067 20 0 CGADHL Cc1ccc(C(=O)Nc2ccc(NC(=O)[O-])cc2)c([O-])c1 ZINC000740108519 572431856 /nfs/dbraw/zinc/43/18/56/572431856.db2.gz XWZLSISCVJBAAI-UHFFFAOYSA-N -2 3 286.287 3.043 20 0 CGADHL O=C(Nc1cc(Cl)c([O-])cc1F)c1ccc([O-])cc1F ZINC000805255177 627120476 /nfs/dbraw/zinc/12/04/76/627120476.db2.gz NGIRKUNDWOLDMJ-UHFFFAOYSA-N -2 3 299.660 3.282 20 0 CGADHL O=C(Nc1ccc(F)c([O-])c1)c1ccc2cccnc2c1[O-] ZINC001149322740 805228409 /nfs/dbraw/zinc/22/84/09/805228409.db2.gz RACUDUKNQIPCHO-UHFFFAOYSA-N -2 3 298.273 3.037 20 0 CGADHL O=C([O-])c1ccc(Nc2cc([O-])c(F)cc2F)cc1 ZINC001176712198 809746617 /nfs/dbraw/zinc/74/66/17/809746617.db2.gz GWGZSCVLMGYGKN-UHFFFAOYSA-N -2 3 265.215 3.112 20 0 CGADHL C[C@H](OCCP(=O)([O-])[O-])c1ccc2ccccc2c1 ZINC001224605949 816833303 /nfs/dbraw/zinc/83/33/03/816833303.db2.gz PGLUGTCINFWCBV-NSHDSACASA-N -2 3 280.260 3.095 20 0 CGADHL CC[C@H](OCCCCP(=O)([O-])[O-])C1CCCCC1 ZINC001225019125 816934044 /nfs/dbraw/zinc/93/40/44/816934044.db2.gz RYRBFRREMLQDMW-ZDUSSCGKSA-N -2 3 278.329 3.320 20 0 CGADHL CCCC[C@@H](CC)[C@H](CC)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233943381 818736222 /nfs/dbraw/zinc/73/62/22/818736222.db2.gz IQBQVCBPZLYFAW-PWSUYJOCSA-N -2 3 292.383 3.020 20 0 CGADHL Cc1cc(=O)[n-]c(C=Cc2ccc(C(=O)[O-])cc2Cl)n1 ZINC000352036170 219298648 /nfs/dbraw/zinc/29/86/48/219298648.db2.gz WYZHKTSVYGVFGU-PLNGDYQASA-N -2 3 290.706 3.013 20 0 CGADHL Cc1cc(Cl)cc(NC(=O)c2c([O-])cccc2F)c1[O-] ZINC000436902011 237209045 /nfs/dbraw/zinc/20/90/45/237209045.db2.gz SCORDVWZKCZBFK-UHFFFAOYSA-N -2 3 295.697 3.451 20 0 CGADHL O=C([O-])C1(CC(=O)Nc2cc(Cl)ccc2[O-])CCCC1 ZINC000013469751 368654177 /nfs/dbraw/zinc/65/41/77/368654177.db2.gz CABXVUJKZCAOAI-UHFFFAOYSA-N -2 3 297.738 3.019 20 0 CGADHL O=C([O-])c1cccc(-c2cc(Cl)cc3c([O-])coc32)c1 ZINC000563208093 321984160 /nfs/dbraw/zinc/98/41/60/321984160.db2.gz PGGQRDPJFDIKKC-UHFFFAOYSA-N -2 3 288.686 3.280 20 0 CGADHL O=C([O-])/C=C/c1cnc(/C=C/c2cccc([O-])c2)s1 ZINC000748440705 571676988 /nfs/dbraw/zinc/67/69/88/571676988.db2.gz MKLZLTKAZXHJBT-YDFGWWAZSA-N -2 3 273.313 3.117 20 0 CGADHL Cc1cccc(C(=O)Nc2cc(Cl)c([O-])cc2F)c1[O-] ZINC000805257129 627122399 /nfs/dbraw/zinc/12/23/99/627122399.db2.gz RJARWIPASLKDDY-UHFFFAOYSA-N -2 3 295.697 3.451 20 0 CGADHL O=C(Nc1cncc([O-])c1)c1cc(Cl)cc(Cl)c1[O-] ZINC001148805568 805211144 /nfs/dbraw/zinc/21/11/44/805211144.db2.gz QGJQDWKTDQOCFH-UHFFFAOYSA-N -2 3 299.113 3.052 20 0 CGADHL O=C([O-])c1c(Cl)ccc([N-]c2nonc2C2CC2)c1F ZINC001215696758 815560298 /nfs/dbraw/zinc/56/02/98/815560298.db2.gz XQBJWVLVCSIRHM-UHFFFAOYSA-N -2 3 297.673 3.181 20 0 CGADHL O=C([O-])Cc1cccc(Nc2ccc([O-])c(Cl)c2)c1 ZINC001210072077 814274032 /nfs/dbraw/zinc/27/40/32/814274032.db2.gz SVDYAJGGDKJBJK-UHFFFAOYSA-N -2 3 277.707 3.416 20 0 CGADHL Cc1ncc(Nc2cc(Cl)c([O-])c(Cl)c2)c(=O)[n-]1 ZINC001210926187 814677647 /nfs/dbraw/zinc/67/76/47/814677647.db2.gz BJFWEXWPHLWZJU-UHFFFAOYSA-N -2 3 286.118 3.247 20 0 CGADHL CCCC[C@H](CC)C[C@H](C)OCCP(=O)([O-])[O-] ZINC001224601318 816831675 /nfs/dbraw/zinc/83/16/75/816831675.db2.gz GGZKVWYYBKAHJQ-RYUDHWBXSA-N -2 3 266.318 3.176 20 0 CGADHL C[C@H](OCCCCP(=O)([O-])[O-])c1cccc(Cl)c1 ZINC001225018733 816933384 /nfs/dbraw/zinc/93/33/84/816933384.db2.gz GTVKMZXJFYFRJO-JTQLQIEISA-N -2 3 292.699 3.376 20 0 CGADHL C/C=C/[C@H](OCCCCP(=O)([O-])[O-])C1CCCCC1 ZINC001225019507 816933965 /nfs/dbraw/zinc/93/39/65/816933965.db2.gz XSGJHDQBKDFWOB-LPSTVZDBSA-N -2 3 290.340 3.486 20 0 CGADHL CCCCC[C@H](CCCC)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233938148 818736053 /nfs/dbraw/zinc/73/60/53/818736053.db2.gz AVVGNWGNCBZNJO-NSHDSACASA-N -2 3 292.383 3.164 20 0 CGADHL C[C@@H](Oc1nc[n-]c(=O)c1-c1ccccc1)C1=CC=C[CH]1 ZINC001234690727 818917202 /nfs/dbraw/zinc/91/72/02/818917202.db2.gz CZCCWLQDJOUTHA-GFCCVEGCSA-N -2 3 279.319 3.317 20 0 CGADHL O=C([N-]c1cc(Cl)c([O-])cc1F)c1cc(Cl)no1 ZINC001449223381 937378680 /nfs/dbraw/zinc/37/86/80/937378680.db2.gz PNHYSQFKKFWIDE-UHFFFAOYSA-N -2 3 291.065 3.078 20 0 CGADHL COc1ccc([O-])c(C(=O)Nc2cccc(Cl)c2[O-])c1 ZINC000172355534 346219412 /nfs/dbraw/zinc/21/94/12/346219412.db2.gz GBBRWSNQHRBHIY-UHFFFAOYSA-N -2 3 293.706 3.012 20 0 CGADHL Cc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])c1 ZINC000339203235 215011262 /nfs/dbraw/zinc/01/12/62/215011262.db2.gz GILDLXNPUJYZGW-UHFFFAOYSA-N -2 3 297.763 3.155 20 0 CGADHL O=C(Nc1cccc(Cl)c1[O-])c1ccccc1[O-] ZINC000033640725 368968417 /nfs/dbraw/zinc/96/84/17/368968417.db2.gz DXLBSDKMRHFNTR-UHFFFAOYSA-N -2 3 263.680 3.004 20 0 CGADHL Cc1cc(-c2cccc(S(=O)(=O)[O-])c2)cc(Cl)c1[O-] ZINC001244550741 803433689 /nfs/dbraw/zinc/43/36/89/803433689.db2.gz KHYIDAIWNPVSQC-UHFFFAOYSA-N -2 3 298.747 3.268 20 0 CGADHL COc1cc(Nc2cc(F)c([O-])c(F)c2)ccc1C(=O)[O-] ZINC001174685206 809130091 /nfs/dbraw/zinc/13/00/91/809130091.db2.gz LADQZWXWTZKHAR-UHFFFAOYSA-N -2 3 295.241 3.121 20 0 CGADHL COc1cc(Nc2ccc([O-])c(F)c2F)ccc1C(=O)[O-] ZINC001174685712 809131170 /nfs/dbraw/zinc/13/11/70/809131170.db2.gz WSXLAKOKLOKFDE-UHFFFAOYSA-N -2 3 295.241 3.121 20 0 CGADHL O=C([O-])CCc1ccc(Nc2ncc(Cl)cc2[O-])cc1 ZINC001213623531 815313020 /nfs/dbraw/zinc/31/30/20/815313020.db2.gz QKGSIRTXZWRISA-UHFFFAOYSA-N -2 3 292.722 3.201 20 0 CGADHL COc1ccc(Nc2ccc([O-])c(Cl)c2)cc1C(=O)[O-] ZINC001209903833 814195603 /nfs/dbraw/zinc/19/56/03/814195603.db2.gz VFCFLFMZWIXFAV-UHFFFAOYSA-N -2 3 293.706 3.496 20 0 CGADHL CC(C)CC(CC(C)C)OCCCCP(=O)([O-])[O-] ZINC001225023682 816933801 /nfs/dbraw/zinc/93/38/01/816933801.db2.gz ZQURGFRCDGROAN-UHFFFAOYSA-N -2 3 280.345 3.422 20 0 CGADHL CCCCC[C@@H](CC)OCCCCP(=O)([O-])[O-] ZINC001225022731 816934473 /nfs/dbraw/zinc/93/44/73/816934473.db2.gz RBPUAIXLWRFQFA-GFCCVEGCSA-N -2 3 266.318 3.320 20 0 CGADHL CCC[C@H](C)[C@H](OCCCCP(=O)([O-])[O-])C(C)C ZINC001225019477 816935040 /nfs/dbraw/zinc/93/50/40/816935040.db2.gz XAMBTKVWQPBFDY-QWHCGFSZSA-N -2 3 280.345 3.422 20 0 CGADHL O=C([O-])Cc1ccc(-c2ccc3c(c2)[N-]C(=S)C3)cc1 ZINC001240976872 821460305 /nfs/dbraw/zinc/46/03/05/821460305.db2.gz CAMFXGQYQGRBCG-UHFFFAOYSA-N -2 3 283.352 3.276 20 0 CGADHL [O-]c1ccc(F)c(-c2nc[n-]c3nc(=S)sc2-3)c1F ZINC001241289682 821706933 /nfs/dbraw/zinc/70/69/33/821706933.db2.gz BSCNXVOMWOMCEP-UHFFFAOYSA-N -2 3 297.311 3.026 20 0 CGADHL CC(C)Oc1ccc(-c2ccc(=O)[n-]c2F)cc1C(=O)[O-] ZINC001591757261 975834288 /nfs/dbraw/zinc/83/42/88/975834288.db2.gz ZTJDEKKVUQPQPJ-UHFFFAOYSA-N -2 3 291.278 3.079 20 0 CGADHL CCc1ccc(C(=O)Nc2ccc(C)c(C(=O)[O-])c2)c([O-])c1 ZINC001597503287 988071241 /nfs/dbraw/zinc/07/12/41/988071241.db2.gz OPDPLZDTLJPIBK-UHFFFAOYSA-N -2 3 299.326 3.214 20 0 CGADHL Cc1cc(=O)[n-]c(C=Cc2cccc(C(=O)[O-])c2Cl)n1 ZINC000339116458 376689250 /nfs/dbraw/zinc/68/92/50/376689250.db2.gz LXAUGSRMORPXKC-AATRIKPKSA-N -2 3 290.706 3.013 20 0 CGADHL COc1cc([O-])cc(-c2nc3cccc(C)c3c(=O)[n-]2)c1 ZINC000362595089 542587114 /nfs/dbraw/zinc/58/71/14/542587114.db2.gz ZNRJBHXXOQUDLU-UHFFFAOYSA-N -2 3 282.299 3.025 20 0 CGADHL Cc1cccc(C(=O)Nc2cc(F)cc(Cl)c2[O-])c1[O-] ZINC000436905919 534625175 /nfs/dbraw/zinc/62/51/75/534625175.db2.gz PERHMNGCOBZXJU-UHFFFAOYSA-N -2 3 295.697 3.451 20 0 CGADHL CCC(=O)c1ccc([O-])c(NC(=O)c2ccc(C)c([O-])c2)c1 ZINC000436830949 528463275 /nfs/dbraw/zinc/46/32/75/528463275.db2.gz DTRBUIWCLGWDTM-UHFFFAOYSA-N -2 3 299.326 3.251 20 0 CGADHL CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1cc(Cl)ccc1[O-] ZINC000899761001 620726392 /nfs/dbraw/zinc/72/63/92/620726392.db2.gz BMCCVHKWJSRMFW-VIFPVBQESA-N -2 3 299.754 3.121 20 0 CGADHL COc1cc(C(=O)[O-])ccc1Nc1c(F)cc([O-])cc1F ZINC001174675009 809125885 /nfs/dbraw/zinc/12/58/85/809125885.db2.gz DJXXQQNOIICJOV-UHFFFAOYSA-N -2 3 295.241 3.121 20 0 CGADHL O=C([O-])c1ccc(Nc2cc(F)c([O-])c(F)c2)s1 ZINC001174809228 809168379 /nfs/dbraw/zinc/16/83/79/809168379.db2.gz CTVPXFCOUYSGBZ-UHFFFAOYSA-N -2 3 271.244 3.174 20 0 CGADHL Cc1ccc(C(=O)[O-])cc1Nc1ncc(Cl)cc1[O-] ZINC001174982003 809224549 /nfs/dbraw/zinc/22/45/49/809224549.db2.gz UHAVNOLFQYRVIU-UHFFFAOYSA-N -2 3 278.695 3.191 20 0 CGADHL O=C([O-])c1cc(-c2ccc3c(c2)[N-]C(=S)C3)ccc1F ZINC001241247559 821669176 /nfs/dbraw/zinc/66/91/76/821669176.db2.gz QDEAXJFFEMSIDR-UHFFFAOYSA-N -2 3 287.315 3.486 20 0 CGADHL CCc1ccc([O-])c(C(=O)Nc2ccc(C)cc2C(=O)[O-])c1 ZINC001597555984 988284699 /nfs/dbraw/zinc/28/46/99/988284699.db2.gz DRKHUQHXJIBNEQ-UHFFFAOYSA-N -2 3 299.326 3.214 20 0 CGADHL CC(=O)c1ccc(-c2nc3ccc([O-])cc3c(=O)[n-]2)c(F)c1 ZINC000436910405 542658533 /nfs/dbraw/zinc/65/85/33/542658533.db2.gz NUZFSCQSINUXJD-UHFFFAOYSA-N -2 3 298.273 3.050 20 0 CGADHL COc1ccc(NC(=O)c2ccc(Cl)cc2[O-])c([O-])c1 ZINC000443564316 542666946 /nfs/dbraw/zinc/66/69/46/542666946.db2.gz ZTMWEKKEAWPRLC-UHFFFAOYSA-N -2 3 293.706 3.012 20 0 CGADHL Cc1ccc(C(=O)Nc2c([O-])cccc2Cl)c([O-])c1 ZINC000647836059 392810010 /nfs/dbraw/zinc/81/00/10/392810010.db2.gz FGOIWLCZUUPSIG-UHFFFAOYSA-N -2 3 277.707 3.312 20 0 CGADHL CC(C)(C)CCS(=O)(=O)[N-]c1cc(Cl)ccc1[O-] ZINC000232510300 393027538 /nfs/dbraw/zinc/02/75/38/393027538.db2.gz GRPUELNCIDHBLQ-UHFFFAOYSA-N -2 3 291.800 3.224 20 0 CGADHL O=C([O-])c1cnc(C=Cc2ccc3ccccc3c2)[n-]c1=O ZINC000670369756 543152088 /nfs/dbraw/zinc/15/20/88/543152088.db2.gz ADGPAUZCLRBQEI-SOFGYWHQSA-N -2 3 292.294 3.204 20 0 CGADHL COc1cccc(C(=O)Nc2c([O-])cccc2Cl)c1[O-] ZINC000560820519 289617135 /nfs/dbraw/zinc/61/71/35/289617135.db2.gz VRIPVMGJZFSCHY-UHFFFAOYSA-N -2 3 293.706 3.012 20 0 CGADHL CC(=O)c1cccc([O-])c1NC(=O)c1cccc([S-])c1 ZINC001186152837 810316947 /nfs/dbraw/zinc/31/69/47/810316947.db2.gz QSFOIVXOBFIWQH-UHFFFAOYSA-N -2 3 287.340 3.136 20 0 CGADHL O=C([O-])Cc1cccc(Nc2cccc(Cl)c2[O-])c1 ZINC001210071864 814274058 /nfs/dbraw/zinc/27/40/58/814274058.db2.gz XXOSUBAUZHLELY-UHFFFAOYSA-N -2 3 277.707 3.416 20 0 CGADHL COc1ccc(C(=O)[O-])cc1Nc1c(F)cc([O-])cc1F ZINC001210261141 814370245 /nfs/dbraw/zinc/37/02/45/814370245.db2.gz YUJVSJXOGNSLIT-UHFFFAOYSA-N -2 3 295.241 3.121 20 0 CGADHL O=C([O-])c1ccccc1Nc1cccc([O-])c1Cl ZINC001210968571 814695035 /nfs/dbraw/zinc/69/50/35/814695035.db2.gz LHKXXGYCEZNFHH-UHFFFAOYSA-N -2 3 263.680 3.487 20 0 CGADHL Cc1ccccc1[C@H](C)OCCCCP(=O)([O-])[O-] ZINC001225018968 816934887 /nfs/dbraw/zinc/93/48/87/816934887.db2.gz NGYSOSJNAFWNKX-LBPRGKRZSA-N -2 3 272.281 3.031 20 0 CGADHL C[C@@H](Oc1[n-]c(=S)ncc1C1CC1)C1=CC=C[CH]1 ZINC001226120773 817278791 /nfs/dbraw/zinc/27/87/91/817278791.db2.gz UDFGJEZRDZWVNG-SECBINFHSA-N -2 3 259.354 3.110 20 0 CGADHL O=C([O-])C1(C(=O)Nc2cc(Cl)ccc2[O-])CCCCC1 ZINC001574632734 962313063 /nfs/dbraw/zinc/31/30/63/962313063.db2.gz AJSABZLLBBUODJ-UHFFFAOYSA-N -2 3 297.738 3.019 20 0 CGADHL O=C(Nc1ncccc1[O-])c1c([O-])cc(Cl)cc1Cl ZINC000180998726 304017782 /nfs/dbraw/zinc/01/77/82/304017782.db2.gz ZOFBBTGNHXJZSE-UHFFFAOYSA-N -2 3 299.113 3.052 20 0 CGADHL Cc1ccc(C(=O)Nc2cc(F)cc(Cl)c2[O-])c([O-])c1 ZINC000436909511 237209015 /nfs/dbraw/zinc/20/90/15/237209015.db2.gz YZSPDFOSQMGIMA-UHFFFAOYSA-N -2 3 295.697 3.451 20 0 CGADHL Cc1cccc([O-])c1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000183758054 374451690 /nfs/dbraw/zinc/45/16/90/374451690.db2.gz HTKRYPHSSAEYJO-UHFFFAOYSA-N -2 3 297.232 3.076 20 0 CGADHL O=C(Nc1ccccc1[O-])c1cc(F)c([O-])c(Cl)c1 ZINC000184299174 374511978 /nfs/dbraw/zinc/51/19/78/374511978.db2.gz XERNZNRYWOMJTA-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL COc1cccc(C(=O)Nc2ccc(Cl)cc2[O-])c1[O-] ZINC000153625633 392521872 /nfs/dbraw/zinc/52/18/72/392521872.db2.gz QRFUMJGMROWZEA-UHFFFAOYSA-N -2 3 293.706 3.012 20 0 CGADHL CC(C)c1ccc(-c2nc3ccc([O-])cc3c(=O)[n-]2)cc1 ZINC000484963239 542708385 /nfs/dbraw/zinc/70/83/85/542708385.db2.gz NUVDZFUDKSEXNC-UHFFFAOYSA-N -2 3 280.327 3.419 20 0 CGADHL Cc1cccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1[O-] ZINC000236001713 287650805 /nfs/dbraw/zinc/65/08/05/287650805.db2.gz FVUIAPYJWAULMW-UHFFFAOYSA-N -2 3 286.262 3.262 20 0 CGADHL [O-]c1ccc(CN=c2nc(C3CCCC3)[n-]s2)cc1F ZINC000580418752 330128379 /nfs/dbraw/zinc/12/83/79/330128379.db2.gz JXENSPBJPCJNOQ-UHFFFAOYSA-N -2 3 293.367 3.074 20 0 CGADHL O=C(Nc1nc(Cl)ccc1[O-])c1cc(Cl)ccc1[O-] ZINC001161178862 806357490 /nfs/dbraw/zinc/35/74/90/806357490.db2.gz BNURRCWCRJQGQA-UHFFFAOYSA-N -2 3 299.113 3.052 20 0 CGADHL [O-]c1c(Cl)ccc(-c2ccc(-c3nn[n-]n3)cc2)c1F ZINC001244631983 803475240 /nfs/dbraw/zinc/47/52/40/803475240.db2.gz CUGKPANFARGRPC-UHFFFAOYSA-N -2 3 290.685 3.032 20 0 CGADHL O=C([O-])Cc1ccc(Nc2cccc(Cl)c2[O-])cc1 ZINC001174953923 809214127 /nfs/dbraw/zinc/21/41/27/809214127.db2.gz UFJGVMMAYJQTIZ-UHFFFAOYSA-N -2 3 277.707 3.416 20 0 CGADHL O=S(=O)([O-])c1cccc(Nc2cccc([O-])c2Cl)c1 ZINC001210854298 814652402 /nfs/dbraw/zinc/65/24/02/814652402.db2.gz NYPGHGWDPCHULI-UHFFFAOYSA-N -2 3 299.735 3.036 20 0 CGADHL Cc1ccc([C@@H](C)OCCCCP(=O)([O-])[O-])c(C)c1 ZINC001225019065 816934941 /nfs/dbraw/zinc/93/49/41/816934941.db2.gz PZTTYUIBQAHLMC-CYBMUJFWSA-N -2 3 286.308 3.339 20 0 CGADHL CCCC[C@@H](CC)C[C@@H](C)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233944244 818737865 /nfs/dbraw/zinc/73/78/65/818737865.db2.gz MPWYKCDXXVYLAG-GHMZBOCLSA-N -2 3 292.383 3.020 20 0 CGADHL C[C@@H](Oc1cc(O)cc([O-])c1Br)C1=CC=C[CH]1 ZINC001229096846 927320913 /nfs/dbraw/zinc/32/09/13/927320913.db2.gz KOOZRAJLTNAOFG-MRVPVSSYSA-N -2 3 296.140 3.328 20 0 CGADHL O=C(Nc1cc(F)c([O-])cc1Cl)c1cccc([O-])c1F ZINC001472194561 937773582 /nfs/dbraw/zinc/77/35/82/937773582.db2.gz PWJFPTZMUXODQS-UHFFFAOYSA-N -2 3 299.660 3.282 20 0 CGADHL CCc1cc(C(=O)[O-])ccc1NC(=O)c1cc(C)ccc1[O-] ZINC001597464369 987897105 /nfs/dbraw/zinc/89/71/05/987897105.db2.gz INBQGNYDJWJBAO-UHFFFAOYSA-N -2 3 299.326 3.214 20 0 CGADHL Cc1cccc2nc(-c3cc([O-])cc(F)c3)[n-]c(=O)c12 ZINC000345190363 542505906 /nfs/dbraw/zinc/50/59/06/542505906.db2.gz ORPQETHJFAWMGC-UHFFFAOYSA-N -2 3 270.263 3.156 20 0 CGADHL Cc1cc(Nc2cc([O-])c(F)cc2F)ccc1C(=O)[O-] ZINC001211657257 814927311 /nfs/dbraw/zinc/92/73/11/814927311.db2.gz IPPUXCYSQKWVPH-UHFFFAOYSA-N -2 3 279.242 3.421 20 0 CGADHL Cc1cc(-c2ccc(S(=O)(=O)[O-])cc2)cc(Cl)c1[O-] ZINC001244553127 803435082 /nfs/dbraw/zinc/43/50/82/803435082.db2.gz DFPBOMNVZZLIKN-UHFFFAOYSA-N -2 3 298.747 3.268 20 0 CGADHL COc1cc(Nc2cccc([O-])c2Cl)ccc1C(=O)[O-] ZINC001174684983 809130114 /nfs/dbraw/zinc/13/01/14/809130114.db2.gz DNQFWSFNTXNAMT-UHFFFAOYSA-N -2 3 293.706 3.496 20 0 CGADHL O=C([O-])c1cccc(Nc2cccc([O-])c2Cl)c1 ZINC001175331217 809358587 /nfs/dbraw/zinc/35/85/87/809358587.db2.gz JLHRWJPEZCMIJZ-UHFFFAOYSA-N -2 3 263.680 3.487 20 0 CGADHL O=C([O-])c1sccc1-c1ccc2c(c1)[N-]C(=S)C2 ZINC001205613776 813024986 /nfs/dbraw/zinc/02/49/86/813024986.db2.gz CCAIGUMWHYVHOE-UHFFFAOYSA-N -2 3 275.354 3.409 20 0 CGADHL Cc1cc(C(=O)[O-])ccc1Nc1cc(F)c([O-])c(F)c1 ZINC001211624553 814920220 /nfs/dbraw/zinc/92/02/20/814920220.db2.gz LXVSVWZLANGHGJ-UHFFFAOYSA-N -2 3 279.242 3.421 20 0 CGADHL CCCC[C@H](CC)C[C@@H](C)OCCP(=O)([O-])[O-] ZINC001224601316 816831087 /nfs/dbraw/zinc/83/10/87/816831087.db2.gz GGZKVWYYBKAHJQ-NEPJUHHUSA-N -2 3 266.318 3.176 20 0 CGADHL C[C@H]1C[C@H](OCCCCP(=O)([O-])[O-])CC(C)(C)C1 ZINC001225018762 816932345 /nfs/dbraw/zinc/93/23/45/816932345.db2.gz HGRNYGQIVQDAJZ-RYUDHWBXSA-N -2 3 278.329 3.176 20 0 CGADHL CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCCCP(=O)([O-])[O-] ZINC001225022669 816934187 /nfs/dbraw/zinc/93/41/87/816934187.db2.gz PZCSOOIDZOEIDC-HZSPNIEDSA-N -2 3 292.356 3.422 20 0 CGADHL C[C@H](Oc1cc(C(F)(F)F)nc(=S)[n-]1)C1=CC=C[CH]1 ZINC001225853462 817196151 /nfs/dbraw/zinc/19/61/51/817196151.db2.gz QXYULUMXIBPWDA-ZETCQYMHSA-N -2 3 287.286 3.252 20 0 CGADHL CCCC[C@H](Oc1[n-]c(=O)nc2cn[n-]c21)[C@H](C)CCC ZINC001233945137 818737254 /nfs/dbraw/zinc/73/72/54/818737254.db2.gz QTSISYYOPUMEBO-PWSUYJOCSA-N -2 3 292.383 3.020 20 0 CGADHL CCc1ccc(C(=O)Nc2cc(F)ccc2[O-])c([O-])c1 ZINC000436834548 529609256 /nfs/dbraw/zinc/60/92/56/529609256.db2.gz ZVKXKBPNAPTTJQ-UHFFFAOYSA-N -2 3 275.279 3.052 20 0 CGADHL O=C(Nc1c([O-])cccc1F)c1ccc(Cl)cc1[O-] ZINC000608366050 348301601 /nfs/dbraw/zinc/30/16/01/348301601.db2.gz MNKFEPNMIRQBBA-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL CC(C)(C)CC[C@@H](NCc1cccc([O-])c1Cl)C(=O)[O-] ZINC000414660763 380356025 /nfs/dbraw/zinc/35/60/25/380356025.db2.gz PTDLZUGJSJYHOB-LLVKDONJSA-N -2 3 299.798 3.415 20 0 CGADHL Cc1cccc(-c2nc(-c3ccc([O-])cc3F)no2)c1[O-] ZINC000445457162 393796613 /nfs/dbraw/zinc/79/66/13/393796613.db2.gz XJYCTVIIEDOVCL-UHFFFAOYSA-N -2 3 286.262 3.262 20 0 CGADHL O=C(Nc1cc(F)ccc1[O-])c1c([O-])cccc1Cl ZINC000748854367 572986885 /nfs/dbraw/zinc/98/68/85/572986885.db2.gz QXEOPFQDONIWDJ-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL CC(C)(C)c1nc([N-]c2cc([O-])c(F)c(F)c2F)no1 ZINC001249959268 805327266 /nfs/dbraw/zinc/32/72/66/805327266.db2.gz ZWHHZHWRIOXZOK-UHFFFAOYSA-N -2 3 287.241 3.234 20 0 CGADHL [O-]c1cc(Nc2ccnc(Cl)c2[O-])c(F)c(F)c1F ZINC001249961291 805328993 /nfs/dbraw/zinc/32/89/93/805328993.db2.gz PCTXGJNIQQFSLT-UHFFFAOYSA-N -2 3 290.628 3.307 20 0 CGADHL Cc1cc(C(=O)[O-])ccc1Nc1ncc(Cl)cc1[O-] ZINC001211616848 814918608 /nfs/dbraw/zinc/91/86/08/814918608.db2.gz ZJKOTXGWMWCHOR-UHFFFAOYSA-N -2 3 278.695 3.191 20 0 CGADHL Cc1c(Nc2cc(F)c([O-])c(F)c2)cccc1C(=O)[O-] ZINC001216661649 815888725 /nfs/dbraw/zinc/88/87/25/815888725.db2.gz OUUSOENAZNCEKF-UHFFFAOYSA-N -2 3 279.242 3.421 20 0 CGADHL CCC[C@@H](C)[C@@H](CC)OCCCCP(=O)([O-])[O-] ZINC001225019610 816934738 /nfs/dbraw/zinc/93/47/38/816934738.db2.gz YTZBQAITWMBJCG-VXGBXAGGSA-N -2 3 266.318 3.176 20 0 CGADHL O=C([O-])c1cccc(-c2ccc3c(c2)[N-]C(=S)C3)c1F ZINC001242381376 822975338 /nfs/dbraw/zinc/97/53/38/822975338.db2.gz ALOTVHOOZDQBKP-UHFFFAOYSA-N -2 3 287.315 3.486 20 0 CGADHL CCc1ccc(C(=O)Nc2ccc(F)c(F)c2[O-])c([O-])c1 ZINC001570132887 961913886 /nfs/dbraw/zinc/91/38/86/961913886.db2.gz ZFPYJEOBYCZYDQ-UHFFFAOYSA-N -2 3 293.269 3.191 20 0 CGADHL COc1ccc([O-])c(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000153614108 346145890 /nfs/dbraw/zinc/14/58/90/346145890.db2.gz CMUQAGQUJPMACT-UHFFFAOYSA-N -2 3 293.706 3.012 20 0 CGADHL O=C(Nc1ccc(Cl)cc1[O-])c1c(F)ccc([O-])c1F ZINC000336479848 213351876 /nfs/dbraw/zinc/35/18/76/213351876.db2.gz GVGCCOVCGHVSOW-UHFFFAOYSA-N -2 3 299.660 3.282 20 0 CGADHL Cc1sc(/C=C/c2ccc([O-])cc2)nc1C(=O)[O-] ZINC000436933626 237210948 /nfs/dbraw/zinc/21/09/48/237210948.db2.gz QQBOSDQOHXQFLA-QPJJXVBHSA-N -2 3 261.302 3.026 20 0 CGADHL Cc1cccc(C(=O)Nc2cc(Cl)ccc2[O-])c1[O-] ZINC000303415267 374016277 /nfs/dbraw/zinc/01/62/77/374016277.db2.gz SDYPZPCJQAOJDT-UHFFFAOYSA-N -2 3 277.707 3.312 20 0 CGADHL Cc1ccc(C(=O)Nc2ccc(Cl)cc2[O-])c([O-])c1 ZINC000436734553 533606965 /nfs/dbraw/zinc/60/69/65/533606965.db2.gz APKGEVCEGARWEN-UHFFFAOYSA-N -2 3 277.707 3.312 20 0 CGADHL CCC(CC)(CC(=O)Nc1cc(Cl)ccc1[O-])C(=O)[O-] ZINC000010826135 638315637 /nfs/dbraw/zinc/31/56/37/638315637.db2.gz XDBSJZKIYHUGJL-UHFFFAOYSA-N -2 3 299.754 3.265 20 0 CGADHL [O-]c1cc(Cl)ccc1-c1nc[n-]c2nc(=S)sc1-2 ZINC001244467814 803383692 /nfs/dbraw/zinc/38/36/92/803383692.db2.gz ZHXPHTRACBPGRK-UHFFFAOYSA-N -2 3 295.776 3.401 20 0 CGADHL O=C([O-])c1ccc(Nc2ccc(Cl)c([O-])c2)cc1 ZINC001212593499 815079506 /nfs/dbraw/zinc/07/95/06/815079506.db2.gz USEQAYGFGGGTPX-UHFFFAOYSA-N -2 3 263.680 3.487 20 0 CGADHL O=C([O-])/C=C/c1cccc([N-]c2nnc(-c3ccco3)o2)c1 ZINC001174495857 809042828 /nfs/dbraw/zinc/04/28/28/809042828.db2.gz YFDJOODLDKBGRH-VOTSOKGWSA-N -2 3 297.270 3.171 20 0 CGADHL [O-]c1c(Cl)ccc([N-]c2nonc2C2CC2)c1F ZINC001214798471 815452570 /nfs/dbraw/zinc/45/25/70/815452570.db2.gz TWJATPQYJSGCGF-UHFFFAOYSA-N -2 3 269.663 3.189 20 0 CGADHL O=c1cc(Nc2cccc([S-])c2)nc(C2CC2)[n-]1 ZINC001210945031 814683666 /nfs/dbraw/zinc/68/36/66/814683666.db2.gz AREKVAUMQGEBCQ-UHFFFAOYSA-N -2 3 259.334 3.092 20 0 CGADHL O=C([O-])c1ccccc1Nc1ccc([O-])c(F)c1F ZINC001210967608 814695476 /nfs/dbraw/zinc/69/54/76/814695476.db2.gz MKKCXNVBNFMVIS-UHFFFAOYSA-N -2 3 265.215 3.112 20 0 CGADHL Cc1cc(Nc2cc(=O)[n-]c(C3CC3)n2)cc(C)c1C(=O)[O-] ZINC001216307372 815773716 /nfs/dbraw/zinc/77/37/16/815773716.db2.gz BZAOMYCUWGNCFJ-UHFFFAOYSA-N -2 3 299.330 3.118 20 0 CGADHL Cc1c(Nc2c(F)cc([O-])cc2F)cccc1C(=O)[O-] ZINC001216663695 815890035 /nfs/dbraw/zinc/89/00/35/815890035.db2.gz WDJHHAKGVNHMBL-UHFFFAOYSA-N -2 3 279.242 3.421 20 0 CGADHL C[C@@H]1C[C@H](OCCCCP(=O)([O-])[O-])CC(C)(C)C1 ZINC001225018761 816932226 /nfs/dbraw/zinc/93/22/26/816932226.db2.gz HGRNYGQIVQDAJZ-NEPJUHHUSA-N -2 3 278.329 3.176 20 0 CGADHL O=C(Nc1cccc(Cl)c1[O-])c1ccc([O-])cc1F ZINC001447056042 937366827 /nfs/dbraw/zinc/36/68/27/937366827.db2.gz BZQUQPMLOFQTCB-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL O=C(Nc1ncccc1[O-])c1cc2cc(Cl)sc2[n-]1 ZINC000487048576 243395705 /nfs/dbraw/zinc/39/57/05/243395705.db2.gz SHSYWLFJIHBILS-UHFFFAOYSA-N -2 3 293.735 3.236 20 0 CGADHL O=C(Nc1cccc(Cl)c1[O-])c1cccc([O-])c1 ZINC000182913653 374341794 /nfs/dbraw/zinc/34/17/94/374341794.db2.gz SEOZNAAPRDVMDH-UHFFFAOYSA-N -2 3 263.680 3.004 20 0 CGADHL Cc1sc(/C=C/c2cccc([O-])c2)nc1C(=O)[O-] ZINC000339114862 376688054 /nfs/dbraw/zinc/68/80/54/376688054.db2.gz SIPNAEKVLKDWGO-AATRIKPKSA-N -2 3 261.302 3.026 20 0 CGADHL Cc1cc(F)cc(-c2nc3ccc([O-])cc3c(=O)[n-]2)c1 ZINC000351866652 542552038 /nfs/dbraw/zinc/55/20/38/542552038.db2.gz UOHSNGAIEGNIEC-UHFFFAOYSA-N -2 3 270.263 3.156 20 0 CGADHL Cc1cc(-c2nc3ccc([O-])cc3c(=O)[n-]2)cc(C)c1F ZINC000679270246 543611547 /nfs/dbraw/zinc/61/15/47/543611547.db2.gz UVIOMKMQQLYPNF-UHFFFAOYSA-N -2 3 284.290 3.052 20 0 CGADHL CC(C)c1ccc2nc(-c3ccc([O-])cn3)[n-]c(=O)c2c1 ZINC000427443971 278053029 /nfs/dbraw/zinc/05/30/29/278053029.db2.gz XSUBFIKBLAFLOS-UHFFFAOYSA-N -2 3 281.315 3.226 20 0 CGADHL CCC[C@@H](CC)S(=O)(=O)[N-]c1cc(Cl)ccc1[O-] ZINC000580511901 331307999 /nfs/dbraw/zinc/30/79/99/331307999.db2.gz NMRIOUTYPIJTPO-SNVBAGLBSA-N -2 3 291.800 3.366 20 0 CGADHL CCC(=O)c1ccc([O-])c(NC(=O)c2ccc([O-])c(C)c2)c1 ZINC000436834513 528462239 /nfs/dbraw/zinc/46/22/39/528462239.db2.gz PPKIGGAWRQSXPI-UHFFFAOYSA-N -2 3 299.326 3.251 20 0 CGADHL Cc1ccc(NC(=O)c2ccc(NC(=O)[O-])cc2)c([O-])c1 ZINC000738291860 572369907 /nfs/dbraw/zinc/36/99/07/572369907.db2.gz HAVGKIMXRSMGSF-UHFFFAOYSA-N -2 3 286.287 3.043 20 0 CGADHL O=C([O-])C1(c2ccc(-c3ccc(=O)[n-]c3F)cc2)CCC1 ZINC000901029974 620826986 /nfs/dbraw/zinc/82/69/86/620826986.db2.gz UCJDZRFIQYMGOI-UHFFFAOYSA-N -2 3 287.290 3.100 20 0 CGADHL O=C(Nc1nc(Cl)ccc1[O-])c1c([O-])cccc1Cl ZINC000790051736 629180269 /nfs/dbraw/zinc/18/02/69/629180269.db2.gz SPLYQQFDOZHTKR-UHFFFAOYSA-N -2 3 299.113 3.052 20 0 CGADHL O=c1cc(Nc2ccc(Cl)c([O-])c2F)nc(C2CC2)[n-]1 ZINC001214793721 815453281 /nfs/dbraw/zinc/45/32/81/815453281.db2.gz JTYBEUOXQMJLAP-UHFFFAOYSA-N -2 3 295.701 3.301 20 0 CGADHL Cc1c(F)cc(C(=O)[O-])cc1[N-]c1nnc(C(C)C)o1 ZINC001210005651 814238634 /nfs/dbraw/zinc/23/86/34/814238634.db2.gz NLFMCLAOBDHCBF-UHFFFAOYSA-N -2 3 279.271 3.082 20 0 CGADHL Cc1cc(=O)oc2c1ccc([O-])c2O[C@H](C)C1=CC=C[CH]1 ZINC001228621527 817956306 /nfs/dbraw/zinc/95/63/06/817956306.db2.gz BRJFXYNLQLLTPB-LLVKDONJSA-N -2 3 283.303 3.275 20 0 CGADHL O=C([O-])/C=C/c1ccccc1-c1cc([O-])cc(F)c1 ZINC001241270839 821688958 /nfs/dbraw/zinc/68/89/58/821688958.db2.gz BYZQZTQYEMYDLY-AATRIKPKSA-N -2 3 258.248 3.296 20 0 CGADHL CCc1cccc(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)c1[O-] ZINC001597575692 988361844 /nfs/dbraw/zinc/36/18/44/988361844.db2.gz DFMKKGKUYLYDGD-UHFFFAOYSA-N -2 3 299.326 3.214 20 0 CGADHL CC(C)(C)CCS(=O)(=O)[N-]c1ccc(Cl)cc1[O-] ZINC000232511221 393026618 /nfs/dbraw/zinc/02/66/18/393026618.db2.gz MJXWREZYBXSOQR-UHFFFAOYSA-N -2 3 291.800 3.224 20 0 CGADHL Cc1ccc(NC(=O)c2cc(F)c(F)c([O-])c2F)c([O-])c1 ZINC000040728501 270029629 /nfs/dbraw/zinc/02/96/29/270029629.db2.gz KZUVSGWEHGNCKD-UHFFFAOYSA-N -2 3 297.232 3.076 20 0 CGADHL O=C(Nc1cccc([O-])c1F)c1cccc(Cl)c1[O-] ZINC000775804093 628138311 /nfs/dbraw/zinc/13/83/11/628138311.db2.gz RCCWJKBRAQCWSU-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL [O-]c1c(F)cc(-c2ccccc2-c2nnn[n-]2)cc1Cl ZINC001244501439 803407907 /nfs/dbraw/zinc/40/79/07/803407907.db2.gz YOWNGVXKZGUACS-UHFFFAOYSA-N -2 3 290.685 3.032 20 0 CGADHL [O-]c1c(F)cc(-c2ccccc2-c2nn[n-]n2)cc1Cl ZINC001244501439 803407910 /nfs/dbraw/zinc/40/79/10/803407910.db2.gz YOWNGVXKZGUACS-UHFFFAOYSA-N -2 3 290.685 3.032 20 0 CGADHL O=C([O-])c1cc(Nc2ccc([O-])c(F)c2F)ccc1F ZINC001175218386 809312280 /nfs/dbraw/zinc/31/22/80/809312280.db2.gz ANBBQUPEKMHOOV-UHFFFAOYSA-N -2 3 283.205 3.251 20 0 CGADHL O=C([O-])c1cccc(Nc2c(F)cc([O-])cc2F)c1 ZINC001175331089 809359168 /nfs/dbraw/zinc/35/91/68/809359168.db2.gz OQSDCQGVWQHVSK-UHFFFAOYSA-N -2 3 265.215 3.112 20 0 CGADHL CCC[C@H](C)[C@@H](OCCCCP(=O)([O-])[O-])C(C)C ZINC001225019478 816933946 /nfs/dbraw/zinc/93/39/46/816933946.db2.gz XAMBTKVWQPBFDY-STQMWFEESA-N -2 3 280.345 3.422 20 0 CGADHL COc1ccc(C(=O)[O-])cc1Nc1cccc(Cl)c1[O-] ZINC001210257498 814368923 /nfs/dbraw/zinc/36/89/23/814368923.db2.gz FBWFABGAFUYUJB-UHFFFAOYSA-N -2 3 293.706 3.496 20 0 CGADHL COc1c(Nc2ccc([O-])c(F)c2F)cccc1C(=O)[O-] ZINC001211036996 814714487 /nfs/dbraw/zinc/71/44/87/814714487.db2.gz PGNCKQBBCFWTIM-UHFFFAOYSA-N -2 3 295.241 3.121 20 0 CGADHL Cc1cc(C(=O)[O-])ccc1Nc1cc([O-])c(F)cc1F ZINC001211622854 814919533 /nfs/dbraw/zinc/91/95/33/814919533.db2.gz OIFRSTNUIOYKPL-UHFFFAOYSA-N -2 3 279.242 3.421 20 0 CGADHL [O-]c1c(Cl)cc(-c2ccc(=S)[n-]n2)cc1Cl ZINC001242851966 823152707 /nfs/dbraw/zinc/15/27/07/823152707.db2.gz RBPVUGIIIAYXQB-UHFFFAOYSA-N -2 3 273.144 3.445 20 0 CGADHL CCCC[C@@H](CC)[C@H](CC)OCCP(=O)([O-])[O-] ZINC001224602230 816831001 /nfs/dbraw/zinc/83/10/01/816831001.db2.gz PDDRBKGVGQXQSI-NEPJUHHUSA-N -2 3 266.318 3.176 20 0 CGADHL CC(C)CCC[C@H](C)OCCCCP(=O)([O-])[O-] ZINC001225018721 816932828 /nfs/dbraw/zinc/93/28/28/816932828.db2.gz GMBXXWDJSOLCGI-LBPRGKRZSA-N -2 3 266.318 3.176 20 0 CGADHL CC(C)[C@H]1CC[C@H](C)C[C@H]1OCCCCP(=O)([O-])[O-] ZINC001225022666 816933984 /nfs/dbraw/zinc/93/39/84/816933984.db2.gz PZCSOOIDZOEIDC-BFHYXJOUSA-N -2 3 292.356 3.422 20 0 CGADHL CCC[C@@H](C)[C@H](OCCCCP(=O)([O-])[O-])C(C)C ZINC001225019475 816934751 /nfs/dbraw/zinc/93/47/51/816934751.db2.gz XAMBTKVWQPBFDY-CHWSQXEVSA-N -2 3 280.345 3.422 20 0 CGADHL O=C([O-])CCC1CCN(Cc2cc([O-])ccc2Cl)CC1 ZINC000629490477 350696189 /nfs/dbraw/zinc/69/61/89/350696189.db2.gz UHQSCYAXTOUQIA-UHFFFAOYSA-N -2 3 297.782 3.122 20 0 CGADHL O=C(Nc1ccccc1[O-])c1ccc(Cl)cc1[O-] ZINC000073138777 287001335 /nfs/dbraw/zinc/00/13/35/287001335.db2.gz AUSUANHMOWLMEA-UHFFFAOYSA-N -2 3 263.680 3.004 20 0 CGADHL O=C(Nc1cc(F)cc(Cl)c1[O-])c1ccccc1[O-] ZINC000436907574 534820953 /nfs/dbraw/zinc/82/09/53/534820953.db2.gz LGQLIVNNJWDQCU-UHFFFAOYSA-N -2 3 281.670 3.143 20 0 CGADHL [O-]c1cc(F)c(-c2ccccc2-c2nn[n-]n2)cc1Cl ZINC001245669319 803898352 /nfs/dbraw/zinc/89/83/52/803898352.db2.gz COGDFJAZUDOAHW-UHFFFAOYSA-N -2 3 290.685 3.032 20 0 CGADHL O=C([O-])c1cc(Cl)c([N-]c2ncco2)c(Cl)c1 ZINC001214509323 815418629 /nfs/dbraw/zinc/41/86/29/815418629.db2.gz RGZXJJGRQNZUSL-UHFFFAOYSA-N -2 3 273.075 3.423 20 0 CGADHL COc1c(Nc2cccc([O-])c2Cl)cccc1C(=O)[O-] ZINC001211036032 814713773 /nfs/dbraw/zinc/71/37/73/814713773.db2.gz AEVHHQBQJBDQML-UHFFFAOYSA-N -2 3 293.706 3.496 20 0 CGADHL CCCC[C@@H](OCCP(=O)([O-])[O-])[C@@H](C)CCC ZINC001224602264 816831130 /nfs/dbraw/zinc/83/11/30/816831130.db2.gz PGBSXXRZDWLLSI-NWDGAFQWSA-N -2 3 266.318 3.176 20 0 CGADHL CCCC[C@H](OCCP(=O)([O-])[O-])C1CCCCC1 ZINC001224601977 816831861 /nfs/dbraw/zinc/83/18/61/816831861.db2.gz MTELOFGYABSBDU-ZDUSSCGKSA-N -2 3 278.329 3.320 20 0 CGADHL CCC(CC)[C@H](CC)OCCCCP(=O)([O-])[O-] ZINC001225019441 816934639 /nfs/dbraw/zinc/93/46/39/816934639.db2.gz VXHONEFKVCOPPA-LBPRGKRZSA-N -2 3 266.318 3.176 20 0 CGADHL CC(C)C1CCC(OCCCCP(=O)([O-])[O-])CC1 ZINC001225019886 816934988 /nfs/dbraw/zinc/93/49/88/816934988.db2.gz BQXWKANDJXKUSR-UHFFFAOYSA-N -2 3 278.329 3.176 20 0 CGADHL CCC[C@H](OCCCCP(=O)([O-])[O-])[C@@H](C)CC ZINC001225023298 816935027 /nfs/dbraw/zinc/93/50/27/816935027.db2.gz WWQPSXYSBYETKE-RYUDHWBXSA-N -2 3 266.318 3.176 20 0 CGADHL [O-]c1cc(F)c(-c2nc[n-]c3nc(=S)sc2-3)c(F)c1 ZINC001241120431 821575251 /nfs/dbraw/zinc/57/52/51/821575251.db2.gz UMMGGRFVTUPNIR-UHFFFAOYSA-N -2 3 297.311 3.026 20 0 CGADHL O=C([O-])/C=C/c1ccccc1-c1c([O-])cccc1F ZINC001245654881 803885747 /nfs/dbraw/zinc/88/57/47/803885747.db2.gz IIFKNBVKMDQBLF-CMDGGOBGSA-N -2 3 258.248 3.296 20 0 CGADHL Cc1ccc(C(=O)Nc2ccccc2[S-])c([O-])c1 ZINC001148500548 805191622 /nfs/dbraw/zinc/19/16/22/805191622.db2.gz PGUWIJOASWARIJ-UHFFFAOYSA-N -2 3 259.330 3.242 20 0 CGADHL Cc1c(Cl)c([N-]c2nonc2C2CC2)ccc1C(=O)[O-] ZINC001215691826 815559599 /nfs/dbraw/zinc/55/95/99/815559599.db2.gz UCZGIADNJQOFLW-UHFFFAOYSA-N -2 3 293.710 3.351 20 0 CGADHL O=C([O-])c1cccc(Nc2ccc([O-])c(F)c2F)c1F ZINC001210241364 814360883 /nfs/dbraw/zinc/36/08/83/814360883.db2.gz ZFANZEJRAXJKJH-UHFFFAOYSA-N -2 3 283.205 3.251 20 0 CGADHL O=C([O-])c1ccccc1Nc1c(F)cc([O-])cc1F ZINC001210969613 814696189 /nfs/dbraw/zinc/69/61/89/814696189.db2.gz UJWBQAOGBKPMCT-UHFFFAOYSA-N -2 3 265.215 3.112 20 0 CGADHL O=C([O-])Cc1ccc(F)c(Nc2c(F)cc([O-])cc2F)c1 ZINC001216684137 815893311 /nfs/dbraw/zinc/89/33/11/815893311.db2.gz YHHOMDQSYXLFPX-UHFFFAOYSA-N -2 3 297.232 3.180 20 0 CGADHL C[C@H](OCCP(=O)([O-])[O-])c1cccc2ccccc21 ZINC001224607689 816832442 /nfs/dbraw/zinc/83/24/42/816832442.db2.gz UKOXSSPTFISEDV-NSHDSACASA-N -2 3 280.260 3.095 20 0 CGADHL C[C@@H](OCCP(=O)([O-])[O-])c1ccc2ccccc2c1 ZINC001224605942 816833132 /nfs/dbraw/zinc/83/31/32/816833132.db2.gz PGLUGTCINFWCBV-LLVKDONJSA-N -2 3 280.260 3.095 20 0 CGADHL CCC[C@@H](OCCCCP(=O)([O-])[O-])[C@H](C)CC ZINC001225023299 816934970 /nfs/dbraw/zinc/93/49/70/816934970.db2.gz WWQPSXYSBYETKE-VXGBXAGGSA-N -2 3 266.318 3.176 20 0 CGADHL O=C([O-])/C=C/c1ccccc1-c1cccc([O-])c1F ZINC001243547531 823439642 /nfs/dbraw/zinc/43/96/42/823439642.db2.gz UIAGSOXFVBHWOG-CMDGGOBGSA-N -2 3 258.248 3.296 20 0 CGADHL