smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000071974461 935147083 /nfs/dbraw/zinc/14/70/83/935147083.db2.gz ZZYANAFHLSWDLR-UHFFFAOYSA-N -2 3 351.399 3.757 20 0 FHADHL O=S(=O)(/C=C\c1ccc(Br)cc1)[N-]c1cc(F)ccc1[O-] ZINC000255555751 936177910 /nfs/dbraw/zinc/17/79/10/936177910.db2.gz HMHVQYRTSJDZAW-FPLPWBNLSA-N -2 3 372.215 3.706 20 0 FHADHL O=C([O-])/C=C\c1cnc(/C=C/c2cc([O-])ccc2Br)s1 ZINC000255630545 939018856 /nfs/dbraw/zinc/01/88/56/939018856.db2.gz IRRWZDHGKZWSDC-DHURKKFYSA-N -2 3 352.209 3.879 20 0 FHADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)c(Cl)c1 ZINC000318657163 940696609 /nfs/dbraw/zinc/69/66/09/940696609.db2.gz IQQOPWFSYGIYSV-UHFFFAOYSA-N -2 3 364.181 3.632 20 0 FHADHL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000181768352 941382610 /nfs/dbraw/zinc/38/26/10/941382610.db2.gz AVMLZIDTCOIGTC-CYBMUJFWSA-N -2 3 359.447 3.554 20 0 FHADHL C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000387920483 942878713 /nfs/dbraw/zinc/87/87/13/942878713.db2.gz YTDVSTBNAMEGFD-UWVGGRQHSA-N -2 3 368.282 3.551 20 0 FHADHL CC(C)(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000388263397 943635319 /nfs/dbraw/zinc/63/53/19/943635319.db2.gz BHZGSVOSTUMCSB-SECBINFHSA-N -2 3 368.282 3.551 20 0 FHADHL Cc1nc(C=Cc2cc(Cl)cc(C(F)(F)F)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504720675 943767636 /nfs/dbraw/zinc/76/76/36/943767636.db2.gz KZGIIXVQXPOTFG-IHWYPQMZSA-N -2 3 372.730 3.960 20 0 FHADHL O=S(=O)([N-]c1ccc(Br)cc1)c1cccc(Cl)c1[O-] ZINC000550106664 945877957 /nfs/dbraw/zinc/87/79/57/945877957.db2.gz HKYMQMBHIOCIQF-UHFFFAOYSA-N -2 3 362.632 3.609 20 0 FHADHL CCOc1cc(/C=C(\C(=O)[O-])c2ccncc2)cc(Br)c1[O-] ZINC000737190916 599831050 /nfs/dbraw/zinc/83/10/50/599831050.db2.gz FKGHAFYXJWUMKB-GHXNOFRVSA-N -2 3 364.195 3.574 20 0 FHADHL CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1 ZINC000477399666 599907119 /nfs/dbraw/zinc/90/71/19/599907119.db2.gz CNJKSOLUCSUDIO-GFCCVEGCSA-N -2 3 363.435 3.671 20 0 FHADHL Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)c1C ZINC000738355791 600101060 /nfs/dbraw/zinc/10/10/60/600101060.db2.gz MODCVBKHXBUXAK-UHFFFAOYSA-N -2 3 366.414 3.950 20 0 FHADHL CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000320321156 600482853 /nfs/dbraw/zinc/48/28/53/600482853.db2.gz FJHTYTGCCMKHEG-UHFFFAOYSA-N -2 3 353.827 3.962 20 0 FHADHL O=C([O-])c1cccc(-c2nc(COC(=O)c3ccc([O-])cc3)cs2)c1 ZINC000833326386 601062321 /nfs/dbraw/zinc/06/23/21/601062321.db2.gz LVVFWWBGVDHWIT-UHFFFAOYSA-N -2 3 355.371 3.571 20 0 FHADHL O=C([O-])C1CCC(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000833132255 601188500 /nfs/dbraw/zinc/18/85/00/601188500.db2.gz ZGGADIHCOKPJFC-UHFFFAOYSA-N -2 3 355.390 3.558 20 0 FHADHL O=C([O-])[C@H]1CC12CCN(C(=O)c1cc(Oc3ccccc3)ccc1[O-])CC2 ZINC000833178531 601188576 /nfs/dbraw/zinc/18/85/76/601188576.db2.gz RDLPBWVJCYRCJO-QGZVFWFLSA-N -2 3 367.401 3.511 20 0 FHADHL CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000057123746 601325688 /nfs/dbraw/zinc/32/56/88/601325688.db2.gz HUAZOOSPPMAKMA-NSHDSACASA-N -2 3 367.398 3.502 20 0 FHADHL Cc1ccc(N2C(=O)N[C@@H](c3ccc([O-])c(F)c3)C(C(=O)[O-])=C2C)cc1F ZINC000833576957 604556902 /nfs/dbraw/zinc/55/69/02/604556902.db2.gz MPXBJYJDPISOQT-KRWDZBQOSA-N -2 3 374.343 3.608 20 0 FHADHL O=C([O-])NCCCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000834230780 605767849 /nfs/dbraw/zinc/76/78/49/605767849.db2.gz CNPJEXJWCPGHHU-UHFFFAOYSA-N -2 3 371.418 3.655 20 0 FHADHL CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)cc1 ZINC000547616147 927065888 /nfs/dbraw/zinc/06/58/88/927065888.db2.gz ZRJLQVPLTRPTQQ-JTQLQIEISA-N -2 3 369.389 3.977 20 0 FHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)cc(C(=O)[O-])c1C ZINC000471118664 927538175 /nfs/dbraw/zinc/53/81/75/927538175.db2.gz IQNGHOXIRCEBRC-UHFFFAOYSA-N -2 3 373.352 3.821 20 0 FHADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000548262776 932764977 /nfs/dbraw/zinc/76/49/77/932764977.db2.gz ZGVQTJDPXIQLJD-UHFFFAOYSA-N -2 3 360.218 3.801 20 0 FHADHL O=C(N=c1[n-]nc(-c2ccccc2Cl)s1)c1cc(-c2ccco2)[n-]n1 ZINC000516627320 945083994 /nfs/dbraw/zinc/08/39/94/945083994.db2.gz KHXXBFCSZUIZME-UHFFFAOYSA-N -2 3 371.809 3.516 20 0 FHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(S[C@@H](C)C(=O)[O-])cc2)cc1C ZINC000504665874 943735479 /nfs/dbraw/zinc/73/54/79/943735479.db2.gz NARQLALYZBVUSI-ZDUSSCGKSA-N -2 3 365.476 3.669 20 0 FHADHL Cc1ccc(-c2ccc(C=Cc3nc(C)c(CC(=O)[O-])c(=O)[n-]3)o2)cc1 ZINC000504712159 943754621 /nfs/dbraw/zinc/75/46/21/943754621.db2.gz NBYQFXWERMBHMU-NTMALXAHSA-N -2 3 350.374 3.857 20 0 FHADHL CCCCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c(C)c1 ZINC000516417366 944817128 /nfs/dbraw/zinc/81/71/28/944817128.db2.gz MRVDPHTVMGSUTN-UHFFFAOYSA-N -2 3 363.435 3.673 20 0 FHADHL CCCCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000518086226 945007442 /nfs/dbraw/zinc/00/74/42/945007442.db2.gz WVCGZOVDIHPBRJ-UHFFFAOYSA-N -2 3 363.435 3.673 20 0 FHADHL CCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1C ZINC000324259625 945389733 /nfs/dbraw/zinc/38/97/33/945389733.db2.gz JBXPBZZZMKIXRX-UHFFFAOYSA-N -2 3 353.827 3.710 20 0 FHADHL CCc1ccc(CC)c([N-]S(=O)(=O)c2ccc(CC)c(C(=O)[O-])c2)c1 ZINC000440838887 945950320 /nfs/dbraw/zinc/95/03/20/945950320.db2.gz WZDQFMXWUALAGL-UHFFFAOYSA-N -2 3 361.463 3.873 20 0 FHADHL Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2cc(Cl)ccc2[O-])cc1 ZINC000052842259 205188729 /nfs/dbraw/zinc/18/87/29/205188729.db2.gz GDJFOUJHBKRNGY-UHFFFAOYSA-N -2 3 374.853 3.914 20 0 FHADHL CC(C)CCOc1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1 ZINC000826861408 600817461 /nfs/dbraw/zinc/81/74/61/600817461.db2.gz SKDDRGXLUJDEBO-UHFFFAOYSA-N -2 3 363.435 3.611 20 0 FHADHL Cc1ccc(C(=O)Nc2cc(Br)ccc2[O-])cc1NC(=O)[O-] ZINC000830231021 604099468 /nfs/dbraw/zinc/09/94/68/604099468.db2.gz XIKLZJAXPIFWOK-UHFFFAOYSA-N -2 3 365.183 3.805 20 0 FHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(C(F)F)ccc2Cl)cs1 ZINC000833304193 604637040 /nfs/dbraw/zinc/63/70/40/604637040.db2.gz UPDMAYGYTRDWTQ-UHFFFAOYSA-N -2 3 367.782 3.838 20 0 FHADHL O=C([O-])Cc1csc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])n1 ZINC000738634109 604665870 /nfs/dbraw/zinc/66/58/70/604665870.db2.gz PCFYBECCBXWWPC-UHFFFAOYSA-N -2 3 370.386 3.520 20 0 FHADHL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000833741547 605127291 /nfs/dbraw/zinc/12/72/91/605127291.db2.gz RLXDUZNNWIYYOP-SREVYHEPSA-N -2 3 357.840 3.821 20 0 FHADHL Cc1cc(C(=O)Nc2cc(Br)ccc2[O-])ccc1NC(=O)[O-] ZINC000829961751 605326741 /nfs/dbraw/zinc/32/67/41/605326741.db2.gz KUHYWYOIAQJJDW-UHFFFAOYSA-N -2 3 365.183 3.805 20 0 FHADHL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000582199501 935395258 /nfs/dbraw/zinc/39/52/58/935395258.db2.gz APAANEBWONBCDF-UHFFFAOYSA-N -2 3 355.362 3.740 20 0 FHADHL O=C([N-]c1nc(Sc2ccccc2)ns1)c1c(F)ccc([O-])c1F ZINC000685433703 938986181 /nfs/dbraw/zinc/98/61/81/938986181.db2.gz RFNCUNRFUTXWLD-UHFFFAOYSA-N -2 3 365.386 3.925 20 0 FHADHL CC(C)c1nc(/C=C/c2cc([O-])ccc2Br)ncc1C(=O)[O-] ZINC000178993997 941329500 /nfs/dbraw/zinc/32/95/00/941329500.db2.gz HTWRCAJHKHCWAN-ZZXKWVIFSA-N -2 3 363.211 3.937 20 0 FHADHL Cc1ccc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)c(C)c1 ZINC000181195414 941361895 /nfs/dbraw/zinc/36/18/95/941361895.db2.gz DVORYUQQQNQDMR-UHFFFAOYSA-N -2 3 361.463 3.657 20 0 FHADHL Cc1ccc(-c2nc(C=Cc3nc(C)c(CC(=O)[O-])c(=O)[n-]3)cs2)cc1 ZINC000504720125 943767970 /nfs/dbraw/zinc/76/79/70/943767970.db2.gz HUXVISLKHMEKJP-BQYQJAHWSA-N -2 3 367.430 3.720 20 0 FHADHL CCCc1cc(=O)[n-]c(C(=Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)CC)n1 ZINC000504743220 943777668 /nfs/dbraw/zinc/77/76/68/943777668.db2.gz UCRYZNNCTNGDPX-WZMONFQBSA-N -2 3 356.422 3.525 20 0 FHADHL O=S(=O)([N-]c1ccc(C(F)(F)F)cc1)c1cccc(Cl)c1[O-] ZINC000550106037 945873040 /nfs/dbraw/zinc/87/30/40/945873040.db2.gz IKMRNWXZBPJGRA-UHFFFAOYSA-N -2 3 351.733 3.865 20 0 FHADHL C[C@@H](S[C@@H](C)C(=O)[O-])c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000739058307 597070961 /nfs/dbraw/zinc/07/09/61/597070961.db2.gz YIXRVTRPGOYWST-SFYZADRCSA-N -2 3 350.421 3.924 20 0 FHADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c1 ZINC000740076269 600887373 /nfs/dbraw/zinc/88/73/73/600887373.db2.gz UUIBQIVRTHVROV-UHFFFAOYSA-N -2 3 364.181 3.632 20 0 FHADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2cc3ccccc3s2)cc1C(=O)[O-] ZINC000833027585 601220734 /nfs/dbraw/zinc/22/07/34/601220734.db2.gz HJZBADFSAHYQIR-SECBINFHSA-N -2 3 365.432 3.540 20 0 FHADHL Cc1sc([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)c(C(=O)[O-])c1C ZINC000833758459 605302863 /nfs/dbraw/zinc/30/28/63/605302863.db2.gz YQFXZJCDFJCGJV-BQYQJAHWSA-N -2 3 355.412 3.615 20 0 FHADHL CCOc1ccc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)c(C)c1 ZINC000471140144 927802718 /nfs/dbraw/zinc/80/27/18/927802718.db2.gz BBDVGJQKQUZOIS-UHFFFAOYSA-N -2 3 363.435 3.510 20 0 FHADHL O=C([N-]c1nnc(Cc2ccc(F)cc2)s1)c1c(F)ccc([O-])c1F ZINC000580498588 930756407 /nfs/dbraw/zinc/75/64/07/930756407.db2.gz WROGQZBJGXICNV-UHFFFAOYSA-N -2 3 365.336 3.504 20 0 FHADHL Cc1nc(C=Cc2ccc(-c3cccc(F)c3F)o2)[n-]c(=O)c1CC(=O)[O-] ZINC000504712661 943753626 /nfs/dbraw/zinc/75/36/26/943753626.db2.gz RKZLFXXQDZIHFA-VURMDHGXSA-N -2 3 372.327 3.826 20 0 FHADHL Cc1nc(C=Cc2csc(-c3ccc(F)cc3)n2)[n-]c(=O)c1CC(=O)[O-] ZINC000504729765 943774513 /nfs/dbraw/zinc/77/45/13/943774513.db2.gz KMKGZJGITGFALI-SREVYHEPSA-N -2 3 371.393 3.551 20 0 FHADHL COc1cc(C=Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc(Cl)c1[O-] ZINC000737879070 599802049 /nfs/dbraw/zinc/80/20/49/599802049.db2.gz OOFPVBNVSBHICY-GORDUTHDSA-N -2 3 372.764 3.572 20 0 FHADHL Cc1cc([N-]S(=O)(=O)/C=C\c2ccc(Cl)cc2)sc1C(=O)[O-] ZINC000314440285 599876162 /nfs/dbraw/zinc/87/61/62/599876162.db2.gz IADPMLQTLAUWRG-SREVYHEPSA-N -2 3 357.840 3.821 20 0 FHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(CN(C)C(=O)[O-])cc2)c(C)c1 ZINC000738357560 600301188 /nfs/dbraw/zinc/30/11/88/600301188.db2.gz JQPXIFXVOMSTBY-UHFFFAOYSA-N -2 3 362.451 3.522 20 0 FHADHL C[C@H](CC(=O)[O-])SCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000736558210 600586410 /nfs/dbraw/zinc/58/64/10/600586410.db2.gz ZVVPFTAPDIHRDO-MRVPVSSYSA-N -2 3 350.421 3.753 20 0 FHADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c(C)c1 ZINC000506687827 600890249 /nfs/dbraw/zinc/89/02/49/600890249.db2.gz CXCLHFWSJQAYBA-UHFFFAOYSA-N -2 3 363.435 3.591 20 0 FHADHL Cc1cc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])ccc1OC(C)C ZINC000738463999 600898299 /nfs/dbraw/zinc/89/82/99/600898299.db2.gz SOOSMYFKZRQGEB-UHFFFAOYSA-N -2 3 363.435 3.590 20 0 FHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)c(C)c1 ZINC000327254652 600899005 /nfs/dbraw/zinc/89/90/05/600899005.db2.gz WSPLZKIWKGUHJK-UHFFFAOYSA-N -2 3 361.463 3.775 20 0 FHADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2cc3ccccc3s2)cc1C(=O)[O-] ZINC000833027588 601220940 /nfs/dbraw/zinc/22/09/40/601220940.db2.gz HJZBADFSAHYQIR-VIFPVBQESA-N -2 3 365.432 3.540 20 0 FHADHL O=C([O-])CCC1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000833224236 601822632 /nfs/dbraw/zinc/82/26/32/601822632.db2.gz DSPSRYDYTJYUAX-UHFFFAOYSA-N -2 3 369.417 3.902 20 0 FHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)cc1 ZINC000175776204 601831194 /nfs/dbraw/zinc/83/11/94/601831194.db2.gz UCGLSLGYFKWJEV-UHFFFAOYSA-N -2 3 373.352 3.681 20 0 FHADHL CC(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(=O)[O-])cc1 ZINC000738877196 602244920 /nfs/dbraw/zinc/24/49/20/602244920.db2.gz QEOLIKYMJBAYNS-UHFFFAOYSA-N -2 3 360.435 3.651 20 0 FHADHL Cc1ccc(-c2nc3cc(C(=O)[O-])ccc3c(=O)[n-]2)cc1Br ZINC000833746405 604534323 /nfs/dbraw/zinc/53/43/23/604534323.db2.gz DMQUPIIVIAYECG-UHFFFAOYSA-N -2 3 359.179 3.772 20 0 FHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)cc(C)c1F ZINC000536196087 938550808 /nfs/dbraw/zinc/55/08/08/938550808.db2.gz CIJZJWFQLCOFMC-UHFFFAOYSA-N -2 3 365.426 3.651 20 0 FHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(C)(F)F)c2)cc1C(=O)[O-] ZINC000436148388 944056924 /nfs/dbraw/zinc/05/69/24/944056924.db2.gz BXFOTYLAYZAQOE-UHFFFAOYSA-N -2 3 369.389 3.914 20 0 FHADHL CSc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])c1 ZINC000436478261 944343506 /nfs/dbraw/zinc/34/35/06/944343506.db2.gz LNTJLDQMCMVRMD-UHFFFAOYSA-N -2 3 363.382 3.934 20 0 FHADHL O=C(NCc1ccc([O-])c(F)c1)c1cc(Br)cc(Cl)c1[O-] ZINC000436770115 944620690 /nfs/dbraw/zinc/62/06/90/944620690.db2.gz LHSMPEBZFTZSLN-UHFFFAOYSA-N -2 3 374.593 3.583 20 0 FHADHL CC[C@@H](C)c1cc(C(=O)[N-]c2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)on1 ZINC000436916515 944799834 /nfs/dbraw/zinc/79/98/34/944799834.db2.gz WXPMUEWUHJGSDB-MRVPVSSYSA-N -2 3 361.789 3.585 20 0 FHADHL Cc1cccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCCC2 ZINC000614739344 946375114 /nfs/dbraw/zinc/37/51/14/946375114.db2.gz OPSKHJWKHOQFIS-UHFFFAOYSA-N -2 3 359.447 3.681 20 0 FHADHL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)c(C)c1 ZINC000057769676 206389415 /nfs/dbraw/zinc/38/94/15/206389415.db2.gz HHXRLQFLUPBJHE-UHFFFAOYSA-N -2 3 373.352 3.821 20 0 FHADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CCCCC2)o1 ZINC000740174420 599771414 /nfs/dbraw/zinc/77/14/14/599771414.db2.gz XMLLMVQYLFZIPM-QGZVFWFLSA-N -2 3 363.435 3.578 20 0 FHADHL O=C([O-])[C@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])c2ccccc21 ZINC000739614593 600365993 /nfs/dbraw/zinc/36/59/93/600365993.db2.gz YCBWFPIILVJMSG-IBGZPJMESA-N -2 3 373.408 3.812 20 0 FHADHL O=C([O-])CCc1nnc([N-]C(=O)c2cc3c(cccc3Cl)s2)s1 ZINC000739776726 600632192 /nfs/dbraw/zinc/63/21/92/600632192.db2.gz JLAQZDUIYYTQHD-UHFFFAOYSA-N -2 3 367.839 3.676 20 0 FHADHL CC(C)(C(=O)[O-])c1ccc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)cc1 ZINC000828082008 600776340 /nfs/dbraw/zinc/77/63/40/600776340.db2.gz IIAFFWPNTYENBX-UHFFFAOYSA-N -2 3 369.417 3.720 20 0 FHADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)cc1C(=O)[O-] ZINC000438765924 600817125 /nfs/dbraw/zinc/81/71/25/600817125.db2.gz VRSVJTZBVNRVIN-UHFFFAOYSA-N -2 3 373.352 3.599 20 0 FHADHL O=C([O-])[C@@H]1CC12CCN(C(=O)c1cc(Oc3ccccc3)ccc1[O-])CC2 ZINC000833178530 601188427 /nfs/dbraw/zinc/18/84/27/601188427.db2.gz RDLPBWVJCYRCJO-KRWDZBQOSA-N -2 3 367.401 3.511 20 0 FHADHL O=C([O-])Nc1cc(C(=O)Nc2cc(F)ccc2[O-])cc(C(F)(F)F)c1 ZINC000833284840 602144928 /nfs/dbraw/zinc/14/49/28/602144928.db2.gz ZQGOAXKOMNYNFT-UHFFFAOYSA-N -2 3 358.247 3.892 20 0 FHADHL O=C([O-])Nc1ccc(F)c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000740703260 602653506 /nfs/dbraw/zinc/65/35/06/602653506.db2.gz IQEALVSPYMQUHG-UHFFFAOYSA-N -2 3 362.741 3.509 20 0 FHADHL CSc1ccc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)cc1 ZINC000471120065 927544669 /nfs/dbraw/zinc/54/46/69/927544669.db2.gz DCAURZZFBQGRSE-UHFFFAOYSA-N -2 3 351.449 3.524 20 0 FHADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C(C)(C)C[C@@H](C)C(=O)[O-] ZINC000548290690 932842904 /nfs/dbraw/zinc/84/29/04/932842904.db2.gz XYGNJVDQJAXARM-SECBINFHSA-N -2 3 373.858 3.562 20 0 FHADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)c(C)cc1Cl ZINC000133579347 934159064 /nfs/dbraw/zinc/15/90/64/934159064.db2.gz YDDKJWGOUHUMAX-UHFFFAOYSA-N -2 3 364.206 3.702 20 0 FHADHL O=C([N-]c1nnc(Cc2cccc(F)c2)s1)c1c(F)ccc([O-])c1F ZINC000685432483 938986054 /nfs/dbraw/zinc/98/60/54/938986054.db2.gz KZURQTUXGCOORG-UHFFFAOYSA-N -2 3 365.336 3.504 20 0 FHADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2F)c1 ZINC000031721650 941309585 /nfs/dbraw/zinc/30/95/85/941309585.db2.gz ZUVARDZBTDNJSI-UHFFFAOYSA-N -2 3 371.389 3.992 20 0 FHADHL Cc1ccc(-c2ncc(C=Cc3nc(C)c(CC(=O)[O-])c(=O)[n-]3)s2)cc1 ZINC000504733036 943761384 /nfs/dbraw/zinc/76/13/84/943761384.db2.gz SNQWAYCDXALYFU-FPLPWBNLSA-N -2 3 367.430 3.720 20 0 FHADHL Cc1cc(Cl)cc([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)c1[O-] ZINC000331201789 947369928 /nfs/dbraw/zinc/36/99/28/947369928.db2.gz XBXVLLDAWDDJCM-UHFFFAOYSA-N -2 3 358.847 3.581 20 0 FHADHL Cc1ccc(-c2ccncc2)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000523187726 599768586 /nfs/dbraw/zinc/76/85/86/599768586.db2.gz POPPJASYIPLSIE-UHFFFAOYSA-N -2 3 368.414 3.556 20 0 FHADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CCCCC2)o1 ZINC000740174419 599771638 /nfs/dbraw/zinc/77/16/38/599771638.db2.gz XMLLMVQYLFZIPM-KRWDZBQOSA-N -2 3 363.435 3.578 20 0 FHADHL Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000327630357 599906991 /nfs/dbraw/zinc/90/69/91/599906991.db2.gz QAFCQYXWQBMRAI-UHFFFAOYSA-N -2 3 363.435 3.590 20 0 FHADHL CCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000737034389 600100372 /nfs/dbraw/zinc/10/03/72/600100372.db2.gz IVLJXOXUMAHQFL-UHFFFAOYSA-N -2 3 368.386 3.505 20 0 FHADHL CCCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000060554447 600481783 /nfs/dbraw/zinc/48/17/83/600481783.db2.gz IQDLDBUMJQVYKN-UHFFFAOYSA-N -2 3 353.827 3.792 20 0 FHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1C ZINC000324506330 600482035 /nfs/dbraw/zinc/48/20/35/600482035.db2.gz LWGJWZXEDVMYIA-UHFFFAOYSA-N -2 3 369.826 3.546 20 0 FHADHL O=C([O-])CCCc1nnc([N-]C(=O)c2cc3cc(Cl)ccc3o2)s1 ZINC000739712417 600538999 /nfs/dbraw/zinc/53/89/99/600538999.db2.gz UQHSAWPYQWQTIO-UHFFFAOYSA-N -2 3 365.798 3.597 20 0 FHADHL C[C@@H](CC(=O)[O-])SCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000736558211 600586388 /nfs/dbraw/zinc/58/63/88/600586388.db2.gz ZVVPFTAPDIHRDO-QMMMGPOBSA-N -2 3 350.421 3.753 20 0 FHADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(CC(F)(F)F)cc1 ZINC000466269906 600896465 /nfs/dbraw/zinc/89/64/65/600896465.db2.gz RDIFMXTVALXZEH-UHFFFAOYSA-N -2 3 373.352 3.599 20 0 FHADHL CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000057123745 601325375 /nfs/dbraw/zinc/32/53/75/601325375.db2.gz HUAZOOSPPMAKMA-LLVKDONJSA-N -2 3 367.398 3.502 20 0 FHADHL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)/C=C/c1ccccc1Cl ZINC000833741166 605125679 /nfs/dbraw/zinc/12/56/79/605125679.db2.gz AGZXOYLRSCBCHA-VOTSOKGWSA-N -2 3 357.840 3.821 20 0 FHADHL Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc(C(=O)[O-])cc3)nc(=O)c2c1C ZINC000821257610 605526184 /nfs/dbraw/zinc/52/61/84/605526184.db2.gz SIXTVLNVBLJCSS-VIFPVBQESA-N -2 3 372.402 3.630 20 0 FHADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(SC(F)F)cc1 ZINC000326438868 933010938 /nfs/dbraw/zinc/01/09/38/933010938.db2.gz UFSMTXLKZDSCQX-UHFFFAOYSA-N -2 3 373.402 3.809 20 0 FHADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCCC(C)(C)C(=O)[O-] ZINC000548541223 934845281 /nfs/dbraw/zinc/84/52/81/934845281.db2.gz FUCCWNRYUSXNNS-UHFFFAOYSA-N -2 3 373.858 3.564 20 0 FHADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C)c1 ZINC000685897698 940864624 /nfs/dbraw/zinc/86/46/24/940864624.db2.gz BYTMLKAOYRVYON-UHFFFAOYSA-N -2 3 373.352 3.821 20 0 FHADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1Cl ZINC000436160680 944065762 /nfs/dbraw/zinc/06/57/62/944065762.db2.gz LLWZNWGGWZZMOH-UHFFFAOYSA-N -2 3 373.814 3.528 20 0 FHADHL O=S(=O)([N-]c1cccc2[nH]ccc21)c1cc(C(F)(F)F)ccc1[O-] ZINC000436475667 944356706 /nfs/dbraw/zinc/35/67/06/944356706.db2.gz HOYQPBHVVXYSOA-UHFFFAOYSA-N -2 3 356.325 3.693 20 0 FHADHL Cc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)c([O-])c1 ZINC000436650608 944480909 /nfs/dbraw/zinc/48/09/09/944480909.db2.gz XEKIJZGNMRZHBF-UHFFFAOYSA-N -2 3 351.358 3.570 20 0 FHADHL Cc1ccc(-c2nc(NC(=O)c3c([O-])cc(Cl)cc3Cl)n[n-]2)o1 ZINC000436996850 944893542 /nfs/dbraw/zinc/89/35/42/944893542.db2.gz HHHZZNSNOOACIT-UHFFFAOYSA-N -2 3 353.165 3.638 20 0 FHADHL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)cc1 ZINC000614732153 946458833 /nfs/dbraw/zinc/45/88/33/946458833.db2.gz ICJJYUNYVORXJI-UHFFFAOYSA-N -2 3 363.435 3.708 20 0 FHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1C(=O)[O-] ZINC000045946475 206079552 /nfs/dbraw/zinc/07/95/52/206079552.db2.gz FOWNPXMRONTNAP-UHFFFAOYSA-N -2 3 357.790 3.595 20 0 FHADHL C[C@H](S[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1)C(=O)[O-] ZINC000739058308 597071113 /nfs/dbraw/zinc/07/11/13/597071113.db2.gz YIXRVTRPGOYWST-YUMQZZPRSA-N -2 3 350.421 3.924 20 0 FHADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2-c2ccccc2)c(F)c1 ZINC000484570054 600169655 /nfs/dbraw/zinc/16/96/55/600169655.db2.gz KLLPMVKNZAOCEA-UHFFFAOYSA-N -2 3 371.389 3.992 20 0 FHADHL CCSCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000507983343 600896307 /nfs/dbraw/zinc/89/63/07/600896307.db2.gz BOTCOORGEICALY-UHFFFAOYSA-N -2 3 365.476 3.747 20 0 FHADHL CCSCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1 ZINC000737231711 600896764 /nfs/dbraw/zinc/89/67/64/600896764.db2.gz QMNXEBMDOTXUBX-UHFFFAOYSA-N -2 3 365.476 3.747 20 0 FHADHL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)ccc1OC(C)C ZINC000477402954 600897653 /nfs/dbraw/zinc/89/76/53/600897653.db2.gz HXDSEKPVZNCADC-UHFFFAOYSA-N -2 3 363.435 3.590 20 0 FHADHL Cc1cc(=O)[n-]c(CSCc2csc(-c3cccc(C(=O)[O-])c3)n2)n1 ZINC000832898847 601957961 /nfs/dbraw/zinc/95/79/61/601957961.db2.gz DUAURRRGDZTDDD-UHFFFAOYSA-N -2 3 373.459 3.746 20 0 FHADHL O=C([O-])Nc1cc(C(=O)NCc2ccc([O-])c(F)c2)cc(C(F)(F)F)c1 ZINC000833281845 602142914 /nfs/dbraw/zinc/14/29/14/602142914.db2.gz PSAKKBTZORNRBP-UHFFFAOYSA-N -2 3 372.274 3.570 20 0 FHADHL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)/C=C\c1ccccc1Cl ZINC000833741165 605125697 /nfs/dbraw/zinc/12/56/97/605125697.db2.gz AGZXOYLRSCBCHA-SREVYHEPSA-N -2 3 357.840 3.821 20 0 FHADHL Cc1noc(C)c1[N-]C(=O)c1csc(Cc2ccc(NC(=O)[O-])cc2)n1 ZINC000833931860 605315153 /nfs/dbraw/zinc/31/51/53/605315153.db2.gz HCHUAGLVKDEPLG-UHFFFAOYSA-N -2 3 372.406 3.681 20 0 FHADHL CC(C)(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000317094494 940032466 /nfs/dbraw/zinc/03/24/66/940032466.db2.gz BNUBBSMIESXTAY-SNVBAGLBSA-N -2 3 368.282 3.551 20 0 FHADHL Cc1nc(C=Cc2csc(C(F)(F)F)c2)[n-]c(=O)c1CCC(=O)[O-] ZINC000629075287 945337509 /nfs/dbraw/zinc/33/75/09/945337509.db2.gz BZWSNLGYWLFLER-RQOWECAXSA-N -2 3 358.341 3.759 20 0 FHADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1Cl ZINC000504303328 943591163 /nfs/dbraw/zinc/59/11/63/943591163.db2.gz GKEWCDIMERCPSE-UHFFFAOYSA-N -2 3 350.198 3.947 20 0 FHADHL Cc1cc(C(F)(F)F)ccc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000504712757 943755537 /nfs/dbraw/zinc/75/55/37/943755537.db2.gz SDNJHJAXUMIVRE-GQCTYLIASA-N -2 3 352.312 3.615 20 0 FHADHL Cc1nc(C=Cc2ccc(Cl)c(C(F)(F)F)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504734581 943761181 /nfs/dbraw/zinc/76/11/81/943761181.db2.gz ZQQGZJOEJQITQC-HYXAFXHYSA-N -2 3 372.730 3.960 20 0 FHADHL Cc1nc(C=Cc2ccc(Cl)c(C(F)(F)F)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504734580 943761602 /nfs/dbraw/zinc/76/16/02/943761602.db2.gz ZQQGZJOEJQITQC-HWKANZROSA-N -2 3 372.730 3.960 20 0 FHADHL Cc1nc(C=Cc2ccccc2OC2CCCC2)[n-]c(=O)c1CC(=O)[O-] ZINC000504741134 943765083 /nfs/dbraw/zinc/76/50/83/943765083.db2.gz JKFLFGNUCHAYFI-KHPPLWFESA-N -2 3 354.406 3.610 20 0 FHADHL O=C(c1[n-]cnc1-c1nc(-c2ccc([O-])cc2Cl)no1)c1ccccc1 ZINC000436872938 944739919 /nfs/dbraw/zinc/73/99/19/944739919.db2.gz ODODEDMJYMMUMB-UHFFFAOYSA-N -2 3 366.764 3.717 20 0 FHADHL C[C@H](CS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1[O-])c1ccccc1 ZINC000325300806 947080642 /nfs/dbraw/zinc/08/06/42/947080642.db2.gz VQGOQNLLTQNZHE-LLVKDONJSA-N -2 3 359.369 3.956 20 0 FHADHL Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)c1C ZINC000392714818 599853530 /nfs/dbraw/zinc/85/35/30/599853530.db2.gz WIMKQEIORMZVGZ-UHFFFAOYSA-N -2 3 361.463 3.738 20 0 FHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cs1 ZINC000070156419 600670025 /nfs/dbraw/zinc/67/00/25/600670025.db2.gz KSDMXXUJMGXMGT-UHFFFAOYSA-N -2 3 352.220 3.554 20 0 FHADHL COc1ccc(NC(=O)[O-])c([N-]S(=O)(=O)C2=Cc3ccccc3CC2)c1 ZINC000739916936 602652218 /nfs/dbraw/zinc/65/22/18/602652218.db2.gz BFDIGQHHCXVBIM-UHFFFAOYSA-N -2 3 374.418 3.514 20 0 FHADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000560935453 605005837 /nfs/dbraw/zinc/00/58/37/605005837.db2.gz MVVHJALDAGVNQZ-UHFFFAOYSA-N -2 3 369.826 3.626 20 0 FHADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)CCCCC(=O)[O-])c1Cl ZINC000548227063 932672259 /nfs/dbraw/zinc/67/22/59/932672259.db2.gz FRUJUOWPBNIZMS-SNVBAGLBSA-N -2 3 368.282 3.614 20 0 FHADHL COc1ccc(S(=O)(=O)[N-]c2c(C(=O)[O-])cccc2C(C)C)cc1C ZINC000511278921 938980906 /nfs/dbraw/zinc/98/09/06/938980906.db2.gz GMEGKZYBVVZWMH-UHFFFAOYSA-N -2 3 363.435 3.626 20 0 FHADHL Cc1cccc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)c1C ZINC000181195258 941362008 /nfs/dbraw/zinc/36/20/08/941362008.db2.gz VUZLJKYIDPOUAO-UHFFFAOYSA-N -2 3 361.463 3.657 20 0 FHADHL C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000387920489 942878724 /nfs/dbraw/zinc/87/87/24/942878724.db2.gz YTDVSTBNAMEGFD-ZJUUUORDSA-N -2 3 368.282 3.551 20 0 FHADHL Cc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c(OC(F)F)cc1C ZINC000504713210 943755470 /nfs/dbraw/zinc/75/54/70/943755470.db2.gz VBMLBAWJZYFBRV-PLNGDYQASA-N -2 3 364.348 3.506 20 0 FHADHL Cc1nc(C=Cc2cc(Cl)ccc2OCC2CC2)[n-]c(=O)c1CC(=O)[O-] ZINC000504740455 943764155 /nfs/dbraw/zinc/76/41/55/943764155.db2.gz HBVNGFMYYLKEJS-QPJJXVBHSA-N -2 3 374.824 3.730 20 0 FHADHL Cc1nc(C=Cc2ccccc2OC2CCCC2)[n-]c(=O)c1CC(=O)[O-] ZINC000504741135 943764910 /nfs/dbraw/zinc/76/49/10/943764910.db2.gz JKFLFGNUCHAYFI-ZHACJKMWSA-N -2 3 354.406 3.610 20 0 FHADHL O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cc(F)c([O-])c(Cl)c1 ZINC000436948741 944836889 /nfs/dbraw/zinc/83/68/89/944836889.db2.gz UZXYNHKNCKIZQM-UHFFFAOYSA-N -2 3 367.714 3.527 20 0 FHADHL C[C@@H](S[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1)C(=O)[O-] ZINC000739058305 597070744 /nfs/dbraw/zinc/07/07/44/597070744.db2.gz YIXRVTRPGOYWST-HTQZYQBOSA-N -2 3 350.421 3.924 20 0 FHADHL C[C@@H](S[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1)C(=O)[O-] ZINC000739058306 597071040 /nfs/dbraw/zinc/07/10/40/597071040.db2.gz YIXRVTRPGOYWST-JGVFFNPUSA-N -2 3 350.421 3.924 20 0 FHADHL COc1cc(C=Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc(Cl)c1[O-] ZINC000737879065 599802027 /nfs/dbraw/zinc/80/20/27/599802027.db2.gz OOFPVBNVSBHICY-DJWKRKHSSA-N -2 3 372.764 3.572 20 0 FHADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c(F)c1 ZINC000315943161 600169469 /nfs/dbraw/zinc/16/94/69/600169469.db2.gz TZBPMUHJPOKQKV-UHFFFAOYSA-N -2 3 364.181 3.632 20 0 FHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c(C)c1 ZINC000390751357 600483372 /nfs/dbraw/zinc/48/33/72/600483372.db2.gz ZANRIOFUCBEMLV-UHFFFAOYSA-N -2 3 353.827 3.764 20 0 FHADHL O=C([O-])c1cccc(-c2nc(C[S@](=O)c3ccc([O-])cc3)cs2)c1 ZINC000833326862 600882164 /nfs/dbraw/zinc/88/21/64/600882164.db2.gz WLDYFNNNSAHHSJ-DEOSSOPVSA-N -2 3 359.428 3.522 20 0 FHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2Cl)c(Cl)cc1F ZINC000063876904 601829620 /nfs/dbraw/zinc/82/96/20/601829620.db2.gz LMDIKVGHAZAIPA-UHFFFAOYSA-N -2 3 364.181 3.632 20 0 FHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)[O-])cc1C ZINC000740147216 602646349 /nfs/dbraw/zinc/64/63/49/602646349.db2.gz KYXUVYVCLSTDJF-UHFFFAOYSA-N -2 3 360.435 3.535 20 0 FHADHL COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)cc1C(=O)[O-] ZINC000326891812 605021680 /nfs/dbraw/zinc/02/16/80/605021680.db2.gz FYKCEFWJECGZIS-UHFFFAOYSA-N -2 3 363.435 3.626 20 0 FHADHL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000833741548 605127477 /nfs/dbraw/zinc/12/74/77/605127477.db2.gz RLXDUZNNWIYYOP-VOTSOKGWSA-N -2 3 357.840 3.821 20 0 FHADHL Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000274738119 927757250 /nfs/dbraw/zinc/75/72/50/927757250.db2.gz VFJRZRRKJQDEDA-UHFFFAOYSA-N -2 3 353.781 3.539 20 0 FHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1Cl ZINC000318530792 940892097 /nfs/dbraw/zinc/89/20/97/940892097.db2.gz JPKYPSQTAJSRIL-UHFFFAOYSA-N -2 3 364.181 3.632 20 0 FHADHL C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000387920480 942878538 /nfs/dbraw/zinc/87/85/38/942878538.db2.gz YTDVSTBNAMEGFD-NXEZZACHSA-N -2 3 368.282 3.551 20 0 FHADHL Cc1nc(C=Cc2cc(C(F)(F)F)ccc2Cl)[n-]c(=O)c1CC(=O)[O-] ZINC000504728482 943772473 /nfs/dbraw/zinc/77/24/73/943772473.db2.gz CXIRESPRRVOQLO-DJWKRKHSSA-N -2 3 372.730 3.960 20 0 FHADHL CCOc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])c1 ZINC000436478610 944343809 /nfs/dbraw/zinc/34/38/09/944343809.db2.gz RDMSGRNNCKSPPF-UHFFFAOYSA-N -2 3 361.341 3.611 20 0 FHADHL CSc1ccccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000436476815 944356683 /nfs/dbraw/zinc/35/66/83/944356683.db2.gz GQVUCOMNTVIOHV-UHFFFAOYSA-N -2 3 363.382 3.934 20 0 FHADHL O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(Cl)c2ccccc2c1[O-] ZINC000436550149 944410200 /nfs/dbraw/zinc/41/02/00/944410200.db2.gz WNHCUMLLQKRHFU-UHFFFAOYSA-N -2 3 356.691 3.588 20 0 FHADHL O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc(Cl)c2ccccc2c1[O-] ZINC000436550149 944410207 /nfs/dbraw/zinc/41/02/07/944410207.db2.gz WNHCUMLLQKRHFU-UHFFFAOYSA-N -2 3 356.691 3.588 20 0 FHADHL O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc(Cl)c2ccccc2c1[O-] ZINC000436550149 944410213 /nfs/dbraw/zinc/41/02/13/944410213.db2.gz WNHCUMLLQKRHFU-UHFFFAOYSA-N -2 3 356.691 3.588 20 0 FHADHL CCOC(=O)c1cnc(C(C)=Cc2cc(Cl)c([O-])cc2Cl)[n-]c1=O ZINC000436967692 944845012 /nfs/dbraw/zinc/84/50/12/944845012.db2.gz RGRAVFJZERGSJE-XBXARRHUSA-N -2 3 369.204 3.932 20 0 FHADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1Cl ZINC000324401376 945924205 /nfs/dbraw/zinc/92/42/05/945924205.db2.gz SLUHTQJJNJMJPP-UHFFFAOYSA-N -2 3 369.826 3.628 20 0 FHADHL C[C@@H](CS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1[O-])c1ccccc1 ZINC000325300807 947081151 /nfs/dbraw/zinc/08/11/51/947081151.db2.gz VQGOQNLLTQNZHE-NSHDSACASA-N -2 3 359.369 3.956 20 0 FHADHL Cc1c2cc(Cl)ccc2oc1C(=O)[N-]c1nnc(CCC(=O)[O-])s1 ZINC000738275961 600628366 /nfs/dbraw/zinc/62/83/66/600628366.db2.gz IQQVRLXCLWDJMV-UHFFFAOYSA-N -2 3 365.798 3.516 20 0 FHADHL CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000506731529 600890588 /nfs/dbraw/zinc/89/05/88/600890588.db2.gz QQKXEEZETPTLBX-CYBMUJFWSA-N -2 3 363.435 3.671 20 0 FHADHL CC(C)c1cccc(S(=O)(=O)[N-]c2cc(NC(=O)[O-])ccc2F)c1 ZINC000824476118 603240658 /nfs/dbraw/zinc/24/06/58/603240658.db2.gz GEHFTGDUPOAYCN-UHFFFAOYSA-N -2 3 352.387 3.840 20 0 FHADHL C[C@H](C(=O)[O-])[C@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1ccccc1 ZINC000833413222 604642086 /nfs/dbraw/zinc/64/20/86/604642086.db2.gz YIMRHGXXULCIRI-BONVTDFDSA-N -2 3 369.314 3.635 20 0 FHADHL C[C@H](C(=O)[O-])[C@@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1ccccc1 ZINC000833413225 604642257 /nfs/dbraw/zinc/64/22/57/604642257.db2.gz YIMRHGXXULCIRI-ZUZCIYMTSA-N -2 3 369.314 3.635 20 0 FHADHL CC(C)(NC(=O)[O-])C(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000833461313 604736362 /nfs/dbraw/zinc/73/63/62/604736362.db2.gz MSKJVKVMCCAQGW-UHFFFAOYSA-N -2 3 371.418 3.654 20 0 FHADHL C[C@H](Sc1ccccc1C(=O)Nc1ccc(Cl)cc1[O-])C(=O)[O-] ZINC000833544920 604796042 /nfs/dbraw/zinc/79/60/42/604796042.db2.gz LDROGYYSWZVVMU-VIFPVBQESA-N -2 3 351.811 3.863 20 0 FHADHL C[C@H](Sc1ccccc1C(=O)Nc1cc(Cl)ccc1[O-])C(=O)[O-] ZINC000833546146 604957013 /nfs/dbraw/zinc/95/70/13/604957013.db2.gz YOXXTKXIMICGJE-VIFPVBQESA-N -2 3 351.811 3.863 20 0 FHADHL O=C([O-])Nc1ccc(F)c([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1 ZINC000834262610 606042055 /nfs/dbraw/zinc/04/20/55/606042055.db2.gz VUIPCGJLYXHGIK-UHFFFAOYSA-N -2 3 362.741 3.509 20 0 FHADHL Cc1ccc(-c2ccc(C=Cc3nc(C)c(CC(=O)[O-])c(=O)[n-]3)o2)cc1 ZINC000504712158 943754667 /nfs/dbraw/zinc/75/46/67/943754667.db2.gz NBYQFXWERMBHMU-CSKARUKUSA-N -2 3 350.374 3.857 20 0 FHADHL Cc1cc(F)ccc1-c1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)o1 ZINC000504721092 943769397 /nfs/dbraw/zinc/76/93/97/943769397.db2.gz OCFYNXKSTZYVRP-YVMONPNESA-N -2 3 368.364 3.996 20 0 FHADHL Cc1nc(C=Cc2ccc(OCCC(C)C)cc2)[n-]c(=O)c1CC(=O)[O-] ZINC000504730613 943773578 /nfs/dbraw/zinc/77/35/78/943773578.db2.gz MQQKWMSIRXQKBN-TWGQIWQCSA-N -2 3 356.422 3.713 20 0 FHADHL CCCc1cc(=O)[n-]c(C(=Cc2ccc(O[C@H](C)C(=O)[O-])cc2)CC)n1 ZINC000504743219 943777502 /nfs/dbraw/zinc/77/75/02/943777502.db2.gz UCRYZNNCTNGDPX-WDGDVPDHSA-N -2 3 356.422 3.525 20 0 FHADHL CC(C)CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc1 ZINC000614734159 946815060 /nfs/dbraw/zinc/81/50/60/946815060.db2.gz KPAIKOVBHQUPAR-UHFFFAOYSA-N -2 3 363.435 3.611 20 0 FHADHL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1Cl ZINC000391790758 948707964 /nfs/dbraw/zinc/70/79/64/948707964.db2.gz AVRGNERCVDCRPY-UHFFFAOYSA-N -2 3 369.826 3.546 20 0 FHADHL CCCCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cc1 ZINC000226856956 571342391 /nfs/dbraw/zinc/34/23/91/571342391.db2.gz PMYJQULEYWEZOG-UHFFFAOYSA-N -2 3 363.435 3.537 20 0 FHADHL CN(Cc1ccc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1)C(=O)[O-] ZINC000737485414 600331369 /nfs/dbraw/zinc/33/13/69/600331369.db2.gz MIGOHFYBQOZUIY-UHFFFAOYSA-N -2 3 354.406 3.633 20 0 FHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)ccc1C(=O)[O-] ZINC000326469425 600886463 /nfs/dbraw/zinc/88/64/63/600886463.db2.gz ZZKJXBUMZWZNLT-UHFFFAOYSA-N -2 3 359.325 3.513 20 0 FHADHL CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000506731530 600890514 /nfs/dbraw/zinc/89/05/14/600890514.db2.gz QQKXEEZETPTLBX-ZDUSSCGKSA-N -2 3 363.435 3.671 20 0 FHADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c(C)c1 ZINC000391943093 601828251 /nfs/dbraw/zinc/82/82/51/601828251.db2.gz SPNKDCYIFALMKF-UHFFFAOYSA-N -2 3 369.826 3.546 20 0 FHADHL O=C([O-])Nc1ccccc1CC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000834275012 606073664 /nfs/dbraw/zinc/07/36/64/606073664.db2.gz WWSQMLOIZNKPQP-UHFFFAOYSA-N -2 3 368.311 3.586 20 0 FHADHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc([C@H](C)CC(=O)[O-])cc1 ZINC000181768397 941382562 /nfs/dbraw/zinc/38/25/62/941382562.db2.gz VXBSXBQNGNBWNC-LLVKDONJSA-N -2 3 351.399 3.513 20 0 FHADHL CCCc1cc(=O)[n-]c(C(=Cc2cccc(OCCC(=O)[O-])c2)CC)n1 ZINC000435339531 943340893 /nfs/dbraw/zinc/34/08/93/943340893.db2.gz VAUHMYVNNJMSCU-PTNGSMBKSA-N -2 3 356.422 3.527 20 0 FHADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1c(Cl)cc(F)cc1Cl ZINC000435488349 943444397 /nfs/dbraw/zinc/44/43/97/943444397.db2.gz ZDRIMBRMAGQIOG-UHFFFAOYSA-N -2 3 354.161 3.778 20 0 FHADHL CCCc1cc(=O)[n-]c(C(=Cc2ccc(O[C@H](C)C(=O)[O-])cc2)CC)n1 ZINC000504743218 943777696 /nfs/dbraw/zinc/77/76/96/943777696.db2.gz UCRYZNNCTNGDPX-LKKYZFDUSA-N -2 3 356.422 3.525 20 0 FHADHL O=S(=O)([N-]c1cccc(CC(F)(F)F)c1)c1cccc(Cl)c1[O-] ZINC000436477664 944358554 /nfs/dbraw/zinc/35/85/54/944358554.db2.gz MQNYPKCRNFOGIA-UHFFFAOYSA-N -2 3 365.760 3.951 20 0 FHADHL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c1 ZINC000318295844 599801157 /nfs/dbraw/zinc/80/11/57/599801157.db2.gz LVADPQLGBXYDIZ-UHFFFAOYSA-N -2 3 364.181 3.632 20 0 FHADHL O=C([O-])C1CCC(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000739384282 600105385 /nfs/dbraw/zinc/10/53/85/600105385.db2.gz OEXXTBQNYZBSJP-UHFFFAOYSA-N -2 3 367.445 3.551 20 0 FHADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)c(C)c1 ZINC000737210552 600637733 /nfs/dbraw/zinc/63/77/33/600637733.db2.gz MGSQRLTTZCHYGA-UHFFFAOYSA-N -2 3 369.826 3.546 20 0 FHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc(C)c1F ZINC000460826026 601048898 /nfs/dbraw/zinc/04/88/98/601048898.db2.gz BGLIOKVLDUWDKM-UHFFFAOYSA-N -2 3 357.790 3.595 20 0 FHADHL O=C([O-])CCC1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000659774744 601822088 /nfs/dbraw/zinc/82/20/88/601822088.db2.gz NVXJHTXJYVYCLM-UHFFFAOYSA-N -2 3 367.445 3.700 20 0 FHADHL Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000390509875 602320459 /nfs/dbraw/zinc/32/04/59/602320459.db2.gz RAUGDNBSTYBAJQ-UHFFFAOYSA-N -2 3 360.218 3.801 20 0 FHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)ccc1OC(C)C ZINC000740092712 602645513 /nfs/dbraw/zinc/64/55/13/602645513.db2.gz ATKJYXZYNAKFCD-UHFFFAOYSA-N -2 3 364.423 3.673 20 0 FHADHL O=C([O-])CCCc1nnc([N-]C(=O)c2ccc(-c3ccco3)s2)s1 ZINC000833232477 604285362 /nfs/dbraw/zinc/28/53/62/604285362.db2.gz VQFSEWQWQXEIHY-UHFFFAOYSA-N -2 3 363.420 3.519 20 0 FHADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1F ZINC000390737065 932397621 /nfs/dbraw/zinc/39/76/21/932397621.db2.gz QEMXVIILPLAZSP-UHFFFAOYSA-N -2 3 364.181 3.632 20 0 FHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3ccccc3c2)cc1C(=O)[O-] ZINC000326693042 934708276 /nfs/dbraw/zinc/70/82/76/934708276.db2.gz RVMQTXOTQITYAA-UHFFFAOYSA-N -2 3 355.415 3.956 20 0 FHADHL Cc1cc(F)ccc1-c1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)o1 ZINC000504721091 943769300 /nfs/dbraw/zinc/76/93/00/943769300.db2.gz OCFYNXKSTZYVRP-VMPITWQZSA-N -2 3 368.364 3.996 20 0 FHADHL O=C([N-]c1nnc(Cc2ccccc2F)s1)c1c(F)ccc([O-])c1F ZINC000516348437 944756546 /nfs/dbraw/zinc/75/65/46/944756546.db2.gz XUYYWSAOYKVNGC-UHFFFAOYSA-N -2 3 365.336 3.504 20 0 FHADHL CSCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000520256611 946310136 /nfs/dbraw/zinc/31/01/36/946310136.db2.gz PTGYCHOJMCMTPB-UHFFFAOYSA-N -2 3 365.476 3.665 20 0 FHADHL CC(C)CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1 ZINC000614734245 946809146 /nfs/dbraw/zinc/80/91/46/946809146.db2.gz WMHOGWHKSYGTQA-UHFFFAOYSA-N -2 3 363.435 3.611 20 0 FHADHL Cc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)(F)F)c1[O-] ZINC000738691520 599800596 /nfs/dbraw/zinc/80/05/96/599800596.db2.gz CHWYOPGIWJXGDI-UHFFFAOYSA-N -2 3 369.295 3.592 20 0 FHADHL CCCc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000737051541 600100018 /nfs/dbraw/zinc/10/00/18/600100018.db2.gz UOLOOQJNTFWKLC-UHFFFAOYSA-N -2 3 352.387 3.669 20 0 FHADHL O=C([O-])Nc1cc(C(=O)Nc2cc(Br)ccc2[O-])ccc1F ZINC000832820779 604100149 /nfs/dbraw/zinc/10/01/49/604100149.db2.gz NVQGKROEKPORSS-UHFFFAOYSA-N -2 3 369.146 3.636 20 0 FHADHL C[C@@H](C(=O)[O-])[C@@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1ccccc1 ZINC000833413223 604641794 /nfs/dbraw/zinc/64/17/94/604641794.db2.gz YIMRHGXXULCIRI-MEBBXXQBSA-N -2 3 369.314 3.635 20 0 FHADHL Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)c1C ZINC000548215783 932642613 /nfs/dbraw/zinc/64/26/13/932642613.db2.gz GJAFGVQHFUPQDM-UHFFFAOYSA-N -2 3 369.389 3.697 20 0 FHADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)CCCCC(=O)[O-])c1Cl ZINC000548227062 932672794 /nfs/dbraw/zinc/67/27/94/932672794.db2.gz FRUJUOWPBNIZMS-JTQLQIEISA-N -2 3 368.282 3.614 20 0 FHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(S[C@H](C)C(=O)[O-])cc2)cc1C ZINC000504665873 943735549 /nfs/dbraw/zinc/73/55/49/943735549.db2.gz NARQLALYZBVUSI-CYBMUJFWSA-N -2 3 365.476 3.669 20 0 FHADHL Cc1nc(C=Cc2ccc(-c3c(F)cccc3F)o2)[n-]c(=O)c1CC(=O)[O-] ZINC000504740401 943764085 /nfs/dbraw/zinc/76/40/85/943764085.db2.gz GQPKJKFNEJRQJR-SOFGYWHQSA-N -2 3 372.327 3.826 20 0 FHADHL Cc1nc(C=Cc2cc(Cl)cc(C(F)(F)F)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504720676 943767455 /nfs/dbraw/zinc/76/74/55/943767455.db2.gz KZGIIXVQXPOTFG-NSCUHMNNSA-N -2 3 372.730 3.960 20 0 FHADHL Cc1cc(C(=O)N=c2[n-]nc(C(C)(C)c3ccccc3)s2)ccc1[O-] ZINC000500012401 943950952 /nfs/dbraw/zinc/95/09/52/943950952.db2.gz XANPLIRNQDWWKJ-UHFFFAOYSA-N -2 3 353.447 3.552 20 0 FHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c3c2)c(C)c1 ZINC000518535488 944485897 /nfs/dbraw/zinc/48/58/97/944485897.db2.gz XIUGSRHCPMUVSJ-UHFFFAOYSA-N -2 3 358.419 3.592 20 0 FHADHL O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1nn(-c2ccccc2)cc1[O-] ZINC000436720214 944560177 /nfs/dbraw/zinc/56/01/77/944560177.db2.gz DVJIWDOYVBMTHS-UHFFFAOYSA-N -2 3 363.295 3.555 20 0 FHADHL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(F)c1F ZINC000520038173 946060096 /nfs/dbraw/zinc/06/00/96/946060096.db2.gz LYRWXNMJZHUQJH-UHFFFAOYSA-N -2 3 355.362 3.587 20 0 FHADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cccc3ccccc32)c1C(=O)[O-] ZINC000536391159 947957459 /nfs/dbraw/zinc/95/74/59/947957459.db2.gz OJSFMZFVXACBGR-UHFFFAOYSA-N -2 3 359.378 3.786 20 0 FHADHL CCOc1ccc(-c2nc(CC)c(C(=O)N=c3ccc([O-])n[n-]3)s2)cc1 ZINC000471150403 514771696 /nfs/dbraw/zinc/77/16/96/514771696.db2.gz FLOJXXXAKPTHJW-UHFFFAOYSA-N -2 3 370.434 3.519 20 0 FHADHL O=C([O-])CCCCCCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000403254753 601962190 /nfs/dbraw/zinc/96/21/90/601962190.db2.gz MOTGDJPBYXYPBH-UHFFFAOYSA-N -2 3 368.282 3.697 20 0 FHADHL Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(NC(=O)[O-])ccc1F ZINC000740044616 602653030 /nfs/dbraw/zinc/65/30/30/602653030.db2.gz BJOBCWDZOKYBML-UHFFFAOYSA-N -2 3 358.778 3.678 20 0 FHADHL Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(NC(=O)[O-])ccc1F ZINC000740128530 602654670 /nfs/dbraw/zinc/65/46/70/602654670.db2.gz YVXCXPYYSZDCLM-UHFFFAOYSA-N -2 3 358.778 3.678 20 0 FHADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000833506641 605006114 /nfs/dbraw/zinc/00/61/14/605006114.db2.gz IUGRKUIIWSVTQD-UHFFFAOYSA-N -2 3 368.386 3.504 20 0 FHADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])cc1Cl ZINC000833662387 605185612 /nfs/dbraw/zinc/18/56/12/605185612.db2.gz DYURNIMWTFSZQR-UHFFFAOYSA-N -2 3 369.826 3.546 20 0 FHADHL CC1(C)Cc2ccc(C(=O)Nc3ccc(NC(=O)[O-])c(F)c3)c([O-])c2O1 ZINC000833562876 605318884 /nfs/dbraw/zinc/31/88/84/605318884.db2.gz ZOQNHKRMRRALAT-UHFFFAOYSA-N -2 3 360.341 3.587 20 0 FHADHL CCc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)ccc1F ZINC000507549463 945320690 /nfs/dbraw/zinc/32/06/90/945320690.db2.gz KHDOTSVPJUOMCN-UHFFFAOYSA-N -2 3 357.790 3.541 20 0 FHADHL Cc1nc(C=Cc2csc(C(F)(F)F)c2)[n-]c(=O)c1CCC(=O)[O-] ZINC000629075282 945346485 /nfs/dbraw/zinc/34/64/85/945346485.db2.gz BZWSNLGYWLFLER-DUXPYHPUSA-N -2 3 358.341 3.759 20 0 FHADHL CCSc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000505279200 942441982 /nfs/dbraw/zinc/44/19/82/942441982.db2.gz CVUYVIDPXDAOOA-UHFFFAOYSA-N -2 3 365.476 3.914 20 0 FHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1Cl ZINC000318781198 943175700 /nfs/dbraw/zinc/17/57/00/943175700.db2.gz OOYKHBZVWOKDDF-UHFFFAOYSA-N -2 3 364.181 3.632 20 0 FHADHL COC(=O)c1ccc(C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)[n-]1 ZINC000497341553 943554202 /nfs/dbraw/zinc/55/42/02/943554202.db2.gz PECJBLOGCAUYGA-UHFFFAOYSA-N -2 3 363.584 3.719 20 0 FHADHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(S[C@H](C)C(=O)[O-])cc1 ZINC000504665731 943735423 /nfs/dbraw/zinc/73/54/23/943735423.db2.gz KQKFJHNDZIVHGY-LLVKDONJSA-N -2 3 369.439 3.500 20 0 FHADHL COc1cc(Cl)c(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1Cl ZINC000504721406 943768122 /nfs/dbraw/zinc/76/81/22/943768122.db2.gz PKWVQJZVLVYUGH-ONEGZZNKSA-N -2 3 369.204 3.604 20 0 FHADHL Cc1nc(C=Cc2ccc(OC(F)F)c(Cl)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504730968 943774447 /nfs/dbraw/zinc/77/44/47/943774447.db2.gz OFTQNMHJFMWJHW-HYXAFXHYSA-N -2 3 370.739 3.543 20 0 FHADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1C(=O)[O-] ZINC000391705661 948605032 /nfs/dbraw/zinc/60/50/32/948605032.db2.gz GKGUXOVTHWCVKQ-UHFFFAOYSA-N -2 3 369.826 3.546 20 0 FHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c(Cl)c1 ZINC000320175393 599801171 /nfs/dbraw/zinc/80/11/71/599801171.db2.gz YBANTPFALWXEBI-UHFFFAOYSA-N -2 3 364.181 3.632 20 0 FHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cs1 ZINC000070156400 600669950 /nfs/dbraw/zinc/66/99/50/600669950.db2.gz XBSPAYDAFUTVPD-UHFFFAOYSA-N -2 3 352.220 3.554 20 0 FHADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)ccc1OC(C)C ZINC000738463746 600898284 /nfs/dbraw/zinc/89/82/84/600898284.db2.gz UEKGMHZOGBXTQZ-UHFFFAOYSA-N -2 3 363.435 3.590 20 0 FHADHL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)cc1 ZINC000548227334 932675246 /nfs/dbraw/zinc/67/52/46/932675246.db2.gz LXGQWHZDWIAPFK-UHFFFAOYSA-N -2 3 369.389 3.761 20 0 FHADHL O=C(Nc1c([O-])cccc1Cl)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000582270280 935472150 /nfs/dbraw/zinc/47/21/50/935472150.db2.gz RQDRAUYHHXGFRB-UHFFFAOYSA-N -2 3 364.188 3.843 20 0 FHADHL CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000388263399 943635311 /nfs/dbraw/zinc/63/53/11/943635311.db2.gz BHZGSVOSTUMCSB-VIFPVBQESA-N -2 3 368.282 3.551 20 0 FHADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(C(C)(F)F)c1 ZINC000436176549 944088694 /nfs/dbraw/zinc/08/86/94/944088694.db2.gz QWGAPFWVBJIKPN-UHFFFAOYSA-N -2 3 355.362 3.606 20 0 FHADHL Cc1ccc([O-])c(C(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)(F)F)c1 ZINC000738635914 599799720 /nfs/dbraw/zinc/79/97/20/599799720.db2.gz IBUBIVQBZYWARX-UHFFFAOYSA-N -2 3 369.295 3.592 20 0 FHADHL CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000736521669 600100262 /nfs/dbraw/zinc/10/02/62/600100262.db2.gz PRDZOUWNJZGOLX-UHFFFAOYSA-N -2 3 352.387 3.840 20 0 FHADHL O=C([O-])c1ccc(Oc2nc3ccccc3c(=O)[n-]2)c(Br)c1 ZINC000740168801 600180509 /nfs/dbraw/zinc/18/05/09/600180509.db2.gz XCGRXSOTFAZYHP-UHFFFAOYSA-N -2 3 361.151 3.588 20 0 FHADHL C[C@@H](CSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)C(=O)[O-] ZINC000736617484 600599162 /nfs/dbraw/zinc/59/91/62/600599162.db2.gz HOZQXDYJJFREPH-QMMMGPOBSA-N -2 3 350.421 3.611 20 0 FHADHL C[C@@H](Sc1ccccc1C(=O)Nc1ccc(Cl)cc1[O-])C(=O)[O-] ZINC000833544919 604795801 /nfs/dbraw/zinc/79/58/01/604795801.db2.gz LDROGYYSWZVVMU-SECBINFHSA-N -2 3 351.811 3.863 20 0 FHADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])c(C)c1 ZINC000833662568 605168874 /nfs/dbraw/zinc/16/88/74/605168874.db2.gz GOACZVJAAORVBE-UHFFFAOYSA-N -2 3 369.826 3.546 20 0 FHADHL CSCc1ccc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)cc1 ZINC000471135419 927709803 /nfs/dbraw/zinc/70/98/03/927709803.db2.gz AUOUQCSEKSUMOH-UHFFFAOYSA-N -2 3 365.476 3.665 20 0 FHADHL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000387920486 942878354 /nfs/dbraw/zinc/87/83/54/942878354.db2.gz YTDVSTBNAMEGFD-VHSXEESVSA-N -2 3 368.282 3.551 20 0 FHADHL Cc1nc(C=Cc2ccc(-c3cccc(F)c3F)o2)[n-]c(=O)c1CC(=O)[O-] ZINC000504712660 943753813 /nfs/dbraw/zinc/75/38/13/943753813.db2.gz RKZLFXXQDZIHFA-SOFGYWHQSA-N -2 3 372.327 3.826 20 0 FHADHL Cc1nc(C=Cc2ccc(-c3c(F)cccc3F)o2)[n-]c(=O)c1CC(=O)[O-] ZINC000504740402 943763962 /nfs/dbraw/zinc/76/39/62/943763962.db2.gz GQPKJKFNEJRQJR-VURMDHGXSA-N -2 3 372.327 3.826 20 0 FHADHL Cc1nc(C=Cc2cccc(OC3CCCC3)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504719783 943768327 /nfs/dbraw/zinc/76/83/27/943768327.db2.gz DIZOVJGIKPDRPG-MDZDMXLPSA-N -2 3 354.406 3.610 20 0 FHADHL Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2c(F)ccc([O-])c2F)s1 ZINC000516350904 944757480 /nfs/dbraw/zinc/75/74/80/944757480.db2.gz SSZYOFQGJQGAIO-UHFFFAOYSA-N -2 3 365.336 3.889 20 0 FHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c(Cl)c1 ZINC000320670255 948779291 /nfs/dbraw/zinc/77/92/91/948779291.db2.gz JMPRABGRTGHAIW-UHFFFAOYSA-N -2 3 364.181 3.632 20 0 FHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1C(=O)[O-] ZINC000058518975 221120253 /nfs/dbraw/zinc/12/02/53/221120253.db2.gz JESGOPYEXXJMCG-UHFFFAOYSA-N -2 3 353.827 3.764 20 0 FHADHL Cc1sc2[n-]c([C@@H](C)OC(=O)c3cccc(C(=O)[O-])c3)nc(=O)c2c1C ZINC000821257642 598145162 /nfs/dbraw/zinc/14/51/62/598145162.db2.gz SYYOCWNLLKSBAU-SECBINFHSA-N -2 3 372.402 3.630 20 0 FHADHL Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)(F)F)c([O-])c1 ZINC000738513518 599800622 /nfs/dbraw/zinc/80/06/22/599800622.db2.gz PMUGGCUEIORCBR-UHFFFAOYSA-N -2 3 369.295 3.592 20 0 FHADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(SC(F)F)c1 ZINC000738347165 600102270 /nfs/dbraw/zinc/10/22/70/600102270.db2.gz CNMVOPOVAQVXOI-UHFFFAOYSA-N -2 3 373.402 3.809 20 0 FHADHL CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000511109003 600813328 /nfs/dbraw/zinc/81/33/28/600813328.db2.gz NUVWRXIYJYBXSK-CYBMUJFWSA-N -2 3 363.435 3.671 20 0 FHADHL Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000327690323 600867800 /nfs/dbraw/zinc/86/78/00/600867800.db2.gz JDGFNNVOQXWTTE-UHFFFAOYSA-N -2 3 373.352 3.821 20 0 FHADHL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000607030489 600900066 /nfs/dbraw/zinc/90/00/66/600900066.db2.gz ALOGQFAADXNXHT-UHFFFAOYSA-N -2 3 373.474 3.728 20 0 FHADHL CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000460424859 601045919 /nfs/dbraw/zinc/04/59/19/601045919.db2.gz KBAAOPVTZMZJCA-UHFFFAOYSA-N -2 3 351.399 3.622 20 0 FHADHL COc1cc(NC(=O)[O-])c(Cl)cc1C(=O)Nc1cc(F)ccc1[O-] ZINC000829187165 604116201 /nfs/dbraw/zinc/11/62/01/604116201.db2.gz FCGVPOIXQGAHHR-UHFFFAOYSA-N -2 3 354.721 3.536 20 0 FHADHL Cc1cc(C(=O)Nc2ccc(Br)cc2[O-])ccc1NC(=O)[O-] ZINC000829961847 605881630 /nfs/dbraw/zinc/88/16/30/605881630.db2.gz ODMDEPMRMQRGLR-UHFFFAOYSA-N -2 3 365.183 3.805 20 0 FHADHL [O-]c1ccc(F)c(CN=c2[n-]nc(SCc3ccccc3)s2)c1F ZINC000438929327 945249505 /nfs/dbraw/zinc/24/95/05/945249505.db2.gz KCIWEMLVBCFRLR-UHFFFAOYSA-N -2 3 365.430 3.848 20 0 FHADHL CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000317094492 940032593 /nfs/dbraw/zinc/03/25/93/940032593.db2.gz BNUBBSMIESXTAY-JTQLQIEISA-N -2 3 368.282 3.551 20 0 FHADHL O=C(NCc1ccc([O-])c(Br)c1)c1cc(F)cc(Cl)c1[O-] ZINC000436798591 944622276 /nfs/dbraw/zinc/62/22/76/944622276.db2.gz UKOIYGIYYDVKAD-UHFFFAOYSA-N -2 3 374.593 3.583 20 0 FHADHL CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1 ZINC000511702164 944926869 /nfs/dbraw/zinc/92/68/69/944926869.db2.gz UYZPBNFRLXSGHY-CYBMUJFWSA-N -2 3 363.435 3.671 20 0 FHADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000438724584 944970828 /nfs/dbraw/zinc/97/08/28/944970828.db2.gz MTMLKMINEWWBAU-UHFFFAOYSA-N -2 3 373.352 3.821 20 0 FHADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(C(C)(F)F)c2)c(C)c1C(=O)[O-] ZINC000188554264 947439811 /nfs/dbraw/zinc/43/98/11/947439811.db2.gz KWXOEIDJZWRPGU-UHFFFAOYSA-N -2 3 369.389 3.914 20 0 FHADHL CC[C@@H](c1n[n-]c(=NC(=O)NCc2ncccc2[O-])s1)c1ccccc1 ZINC000471293428 514828436 /nfs/dbraw/zinc/82/84/36/514828436.db2.gz UHFOFFWQQCQJHE-CYBMUJFWSA-N -2 3 369.450 3.502 20 0 FHADHL CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000736454784 600100397 /nfs/dbraw/zinc/10/03/97/600100397.db2.gz WFIGNCFLPNBTIE-UHFFFAOYSA-N -2 3 366.414 3.915 20 0 FHADHL C[C@H](CSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1)C(=O)[O-] ZINC000736617478 600599127 /nfs/dbraw/zinc/59/91/27/600599127.db2.gz HOZQXDYJJFREPH-MRVPVSSYSA-N -2 3 350.421 3.611 20 0 FHADHL CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000511109004 600813005 /nfs/dbraw/zinc/81/30/05/600813005.db2.gz NUVWRXIYJYBXSK-ZDUSSCGKSA-N -2 3 363.435 3.671 20 0 FHADHL CCc1ccc(-c2ccc(C(=O)[N-]c3nnc(CCC(=O)[O-])s3)o2)cc1 ZINC000830229555 600890639 /nfs/dbraw/zinc/89/06/39/600890639.db2.gz YIHTVOJEUZOZSH-UHFFFAOYSA-N -2 3 371.418 3.630 20 0 FHADHL Cc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)[O-])ccc2F)cc1Cl ZINC000740146652 602653439 /nfs/dbraw/zinc/65/34/39/602653439.db2.gz IMCKWEKTQXKPGC-UHFFFAOYSA-N -2 3 358.778 3.678 20 0 FHADHL Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(NC(=O)[O-])ccc1F ZINC000740081794 602654761 /nfs/dbraw/zinc/65/47/61/602654761.db2.gz KAUKIEGGHUMFHX-UHFFFAOYSA-N -2 3 358.778 3.678 20 0 FHADHL CC(C)c1ccc(C(=O)N2CCC(N(CC3CC3)C(=O)[O-])CC2)c([O-])c1 ZINC000824463581 603473980 /nfs/dbraw/zinc/47/39/80/603473980.db2.gz KKTUEWSFLLRWOU-UHFFFAOYSA-N -2 3 360.454 3.510 20 0 FHADHL O=C([O-])Nc1ccc(CC(=O)[N-]OCc2ccc(C(F)(F)F)cc2)cc1 ZINC000834255548 605652289 /nfs/dbraw/zinc/65/22/89/605652289.db2.gz JULDJAUTNFXXKF-UHFFFAOYSA-N -2 3 368.311 3.586 20 0 FHADHL CSc1ccc([O-])c(C(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)c1 ZINC000659766215 941382023 /nfs/dbraw/zinc/38/20/23/941382023.db2.gz WUOVOSJUQCRCAJ-UHFFFAOYSA-N -2 3 371.458 3.832 20 0 FHADHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000181768379 941382568 /nfs/dbraw/zinc/38/25/68/941382568.db2.gz VXBSXBQNGNBWNC-NSHDSACASA-N -2 3 351.399 3.513 20 0 FHADHL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)Nc2ccc([O-])c(Cl)c2)n1 ZINC000436632411 944472624 /nfs/dbraw/zinc/47/26/24/944472624.db2.gz ZCNXLXINSXOGAK-UHFFFAOYSA-N -2 3 361.760 3.637 20 0 FHADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)cc1 ZINC000507022286 944889271 /nfs/dbraw/zinc/88/92/71/944889271.db2.gz NMCLBPBCUDTWPC-UHFFFAOYSA-N -2 3 363.435 3.591 20 0 FHADHL FC(F)(F)c1nnc(CN=c2[n-]nc(Cc3ccc(Cl)cc3)s2)[n-]1 ZINC000489976652 515053607 /nfs/dbraw/zinc/05/36/07/515053607.db2.gz YSJDRNHASKTQFW-UHFFFAOYSA-N -2 3 374.779 3.531 20 0 FHADHL FC(F)(F)c1nc(CN=c2[n-]nc(Cc3ccc(Cl)cc3)s2)n[n-]1 ZINC000489976652 515053615 /nfs/dbraw/zinc/05/36/15/515053615.db2.gz YSJDRNHASKTQFW-UHFFFAOYSA-N -2 3 374.779 3.531 20 0 FHADHL FC(F)(F)c1n[n-]c(CN=c2[n-]nc(Cc3ccc(Cl)cc3)s2)n1 ZINC000489976652 515053621 /nfs/dbraw/zinc/05/36/21/515053621.db2.gz YSJDRNHASKTQFW-UHFFFAOYSA-N -2 3 374.779 3.531 20 0 FHADHL CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1Cl ZINC000325012149 599905801 /nfs/dbraw/zinc/90/58/01/599905801.db2.gz CUCSCSXEIJHDCD-UHFFFAOYSA-N -2 3 369.826 3.546 20 0 FHADHL O=C([O-])c1ccc2nc(SCc3noc(-c4ccccc4[O-])n3)oc2c1 ZINC000740212872 600278797 /nfs/dbraw/zinc/27/87/97/600278797.db2.gz URXIKZIUOALRCR-UHFFFAOYSA-N -2 3 369.358 3.574 20 0 FHADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1Cl ZINC000048382609 600811438 /nfs/dbraw/zinc/81/14/38/600811438.db2.gz XOQHWWYZLUMATM-UHFFFAOYSA-N -2 3 369.826 3.546 20 0 FHADHL Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000327698637 600889969 /nfs/dbraw/zinc/88/99/69/600889969.db2.gz WCTCSGOUWOIVKX-UHFFFAOYSA-N -2 3 363.435 3.590 20 0 FHADHL O=C([O-])CCCc1nnc([N-]C(=O)c2cc3cccc(Cl)c3o2)s1 ZINC000833232353 601804912 /nfs/dbraw/zinc/80/49/12/601804912.db2.gz OPDIBJCQZRMCNY-UHFFFAOYSA-N -2 3 365.798 3.597 20 0 FHADHL O=C([O-])CCCCCCC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000403258975 601963673 /nfs/dbraw/zinc/96/36/73/601963673.db2.gz ONSNGYZIFWFWMS-UHFFFAOYSA-N -2 3 368.282 3.697 20 0 FHADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000047454373 929583718 /nfs/dbraw/zinc/58/37/18/929583718.db2.gz OKIDLSCDVWIQFG-UHFFFAOYSA-N -2 3 363.435 3.529 20 0 FHADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)(C)C ZINC000548590673 934945662 /nfs/dbraw/zinc/94/56/62/934945662.db2.gz SZRNLNVWOJLEHT-CYBMUJFWSA-N -2 3 373.858 3.562 20 0 FHADHL CC(C)CCc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000519321841 945315867 /nfs/dbraw/zinc/31/58/67/945315867.db2.gz FNGZMYVSFVPHAR-UHFFFAOYSA-N -2 3 364.423 3.690 20 0 FHADHL CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000318646432 940690100 /nfs/dbraw/zinc/69/01/00/940690100.db2.gz SCERKDVJVKTWGK-VIFPVBQESA-N -2 3 368.282 3.551 20 0 FHADHL Cc1cc(C(F)(F)F)ccc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000504712758 943755432 /nfs/dbraw/zinc/75/54/32/943755432.db2.gz SDNJHJAXUMIVRE-XQRVVYSFSA-N -2 3 352.312 3.615 20 0 FHADHL COc1cc(Cl)c(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1Cl ZINC000504721405 943768256 /nfs/dbraw/zinc/76/82/56/943768256.db2.gz PKWVQJZVLVYUGH-ARJAWSKDSA-N -2 3 369.204 3.604 20 0 FHADHL [O-]c1ccc(Br)cc1C=Nn1c(=S)[n-]nc1-c1ccco1 ZINC000254624046 947590838 /nfs/dbraw/zinc/59/08/38/947590838.db2.gz KYJFDVAARWOXGC-UHFFFAOYSA-N -2 3 365.212 3.551 20 0 FHADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cc1Cl ZINC000058518964 221120791 /nfs/dbraw/zinc/12/07/91/221120791.db2.gz XDUBDVTWXHNXEV-UHFFFAOYSA-N -2 3 353.827 3.764 20 0 FHADHL O=C([O-])C[C@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000819370760 597115721 /nfs/dbraw/zinc/11/57/21/597115721.db2.gz QUEYUGICZQVRLT-CQSZACIVSA-N -2 3 355.390 3.511 20 0 FHADHL Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1Cl ZINC000390462855 600816941 /nfs/dbraw/zinc/81/69/41/600816941.db2.gz FIPHIUWCDKBGPZ-UHFFFAOYSA-N -2 3 360.218 3.801 20 0 FHADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1Cl ZINC000326605389 600890147 /nfs/dbraw/zinc/89/01/47/600890147.db2.gz HQHSMAMEVFUJSV-UHFFFAOYSA-N -2 3 369.826 3.546 20 0 FHADHL Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000318153043 602320681 /nfs/dbraw/zinc/32/06/81/602320681.db2.gz WNHYQMZHZOZRPB-UHFFFAOYSA-N -2 3 360.218 3.801 20 0 FHADHL CC(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])cc1 ZINC000833448734 604744672 /nfs/dbraw/zinc/74/46/72/604744672.db2.gz FBGWUNQMJHBGDQ-UHFFFAOYSA-N -2 3 351.399 3.622 20 0 FHADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)c1 ZINC000504694131 943759266 /nfs/dbraw/zinc/75/92/66/943759266.db2.gz DYGJBEVUFZFOAA-UHFFFAOYSA-N -2 3 371.389 3.992 20 0 FHADHL Cc1ccc(-c2nc(C=Cc3nc(C)c(CC(=O)[O-])c(=O)[n-]3)cs2)cc1 ZINC000504720126 943768144 /nfs/dbraw/zinc/76/81/44/943768144.db2.gz HUXVISLKHMEKJP-FPLPWBNLSA-N -2 3 367.430 3.720 20 0 FHADHL Cc1nc(C=Cc2ccc(OC(F)F)c(Cl)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504730967 943774308 /nfs/dbraw/zinc/77/43/08/943774308.db2.gz OFTQNMHJFMWJHW-HWKANZROSA-N -2 3 370.739 3.543 20 0 FHADHL O=S(=O)([N-]c1ccc2scnc2c1)c1cc(C(F)(F)F)ccc1[O-] ZINC000436480266 944345751 /nfs/dbraw/zinc/34/57/51/944345751.db2.gz ZHIOOKYCRPIZST-UHFFFAOYSA-N -2 3 374.365 3.822 20 0 FHADHL CCC[C@H](CCCC[N-]S(=O)(=O)c1cc(C)c(Cl)s1)C(=O)[O-] ZINC000517670909 944494460 /nfs/dbraw/zinc/49/44/60/944494460.db2.gz MDAOFXVQZZFVIA-LLVKDONJSA-N -2 3 367.920 3.659 20 0 FHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1C(F)(F)F ZINC000500322477 944515804 /nfs/dbraw/zinc/51/58/04/944515804.db2.gz JGXHACDDDPXAAN-UHFFFAOYSA-N -2 3 359.325 3.513 20 0 FHADHL CC(C)(C)c1cc2c([n-]c(COc3ccccc3C(=O)[O-])nc2=O)s1 ZINC000112206951 944539310 /nfs/dbraw/zinc/53/93/10/944539310.db2.gz CJHJKISZVDZVMI-UHFFFAOYSA-N -2 3 358.419 3.559 20 0 FHADHL CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1 ZINC000511702165 944926716 /nfs/dbraw/zinc/92/67/16/944926716.db2.gz UYZPBNFRLXSGHY-ZDUSSCGKSA-N -2 3 363.435 3.671 20 0 FHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1C(=O)[O-] ZINC000058519021 221120660 /nfs/dbraw/zinc/12/06/60/221120660.db2.gz DZIKQIDUNXWWJU-UHFFFAOYSA-N -2 3 357.790 3.595 20 0 FHADHL Cc1sc2[n-]c([C@H](C)OC(=O)c3cccc(C(=O)[O-])c3)nc(=O)c2c1C ZINC000821257645 598145159 /nfs/dbraw/zinc/14/51/59/598145159.db2.gz SYYOCWNLLKSBAU-VIFPVBQESA-N -2 3 372.402 3.630 20 0 FHADHL CCCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c(C)c1 ZINC000477428001 599907007 /nfs/dbraw/zinc/90/70/07/599907007.db2.gz NDCXRTNBNNYFDZ-UHFFFAOYSA-N -2 3 363.435 3.591 20 0 FHADHL O=C([O-])Nc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)ccc1F ZINC000740013401 600101418 /nfs/dbraw/zinc/10/14/18/600101418.db2.gz KILFRMLOOLSEDT-UHFFFAOYSA-N -2 3 364.398 3.595 20 0 FHADHL Cc1ccc(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)c([O-])c1C ZINC000738520090 600110217 /nfs/dbraw/zinc/11/02/17/600110217.db2.gz LIIVIXKOKBIQBS-UHFFFAOYSA-N -2 3 359.447 3.969 20 0 FHADHL O=C([O-])c1cc([N-]S(=O)(=O)c2cccc3ccccc32)c(F)cc1F ZINC000328271606 601782158 /nfs/dbraw/zinc/78/21/58/601782158.db2.gz FPRCXVAOEXTKBK-UHFFFAOYSA-N -2 3 363.341 3.617 20 0 FHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)cc(C(=O)[O-])c1C ZINC000471137052 927725553 /nfs/dbraw/zinc/72/55/53/927725553.db2.gz POBLSASONRPQPE-UHFFFAOYSA-N -2 3 363.435 3.590 20 0 FHADHL CC(C)c1nc(/C=C\c2ccc([O-])c(Br)c2)ncc1C(=O)[O-] ZINC000255109549 930244427 /nfs/dbraw/zinc/24/44/27/930244427.db2.gz WWXMOMWHFCWGFQ-XQRVVYSFSA-N -2 3 363.211 3.937 20 0 FHADHL Cc1cc(Cl)c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1Cl ZINC000133556301 934158280 /nfs/dbraw/zinc/15/82/80/934158280.db2.gz TZVJVNXFMUPYPB-UHFFFAOYSA-N -2 3 366.247 3.862 20 0 FHADHL CCc1ccccc1[N-]S(=O)(=O)c1c(C)cc(C)c(CC(=O)[O-])c1C ZINC000181205251 941361940 /nfs/dbraw/zinc/36/19/40/941361940.db2.gz KLKFOWARVVRGMQ-UHFFFAOYSA-N -2 3 361.463 3.602 20 0 FHADHL CCCCCOc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1 ZINC000504719614 943767694 /nfs/dbraw/zinc/76/76/94/943767694.db2.gz BSFFQZDSEGWYLA-DHZHZOJOSA-N -2 3 356.422 3.857 20 0 FHADHL Cc1cc([O-])c(C(C)C)cc1C(=O)N=c1nc(Cc2ccccc2)[n-]s1 ZINC000436543212 944421236 /nfs/dbraw/zinc/42/12/36/944421236.db2.gz GZXHGUCKAAIRCI-UHFFFAOYSA-N -2 3 367.474 3.941 20 0 FHADHL CCOc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C(=O)[O-])c(C)c1 ZINC000523586678 947405631 /nfs/dbraw/zinc/40/56/31/947405631.db2.gz ANSCMNVPYMRVHH-UHFFFAOYSA-N -2 3 363.435 3.510 20 0 FHADHL Cc1cc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)sc1C(=O)[O-] ZINC000314440288 599876115 /nfs/dbraw/zinc/87/61/15/599876115.db2.gz IADPMLQTLAUWRG-VOTSOKGWSA-N -2 3 357.840 3.821 20 0 FHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)cc1C(=O)[O-] ZINC000048382856 600811451 /nfs/dbraw/zinc/81/14/51/600811451.db2.gz DQYGRHNQXFLJPU-UHFFFAOYSA-N -2 3 363.435 3.590 20 0 FHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)[O-])c(C)c1 ZINC000740146015 602646386 /nfs/dbraw/zinc/64/63/86/602646386.db2.gz DVWJRVNVSKSTRC-UHFFFAOYSA-N -2 3 360.435 3.535 20 0 FHADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])cc1 ZINC000833506853 605167593 /nfs/dbraw/zinc/16/75/93/605167593.db2.gz QFACOPXVPCRNPE-UHFFFAOYSA-N -2 3 369.826 3.626 20 0 FHADHL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000548199832 932599139 /nfs/dbraw/zinc/59/91/39/932599139.db2.gz MAAQHORPCOQFFX-UHFFFAOYSA-N -2 3 363.435 3.590 20 0 FHADHL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)cc(C)c1F ZINC000548529715 934828047 /nfs/dbraw/zinc/82/80/47/934828047.db2.gz UOTBWYPCJKNIGB-UHFFFAOYSA-N -2 3 351.399 3.558 20 0 FHADHL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000181768337 941382478 /nfs/dbraw/zinc/38/24/78/941382478.db2.gz AVMLZIDTCOIGTC-ZDUSSCGKSA-N -2 3 359.447 3.554 20 0 FHADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(S[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000504664509 943734977 /nfs/dbraw/zinc/73/49/77/943734977.db2.gz ACFMRZSAHHIFOC-LBPRGKRZSA-N -2 3 365.476 3.615 20 0 FHADHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(S[C@@H](C)C(=O)[O-])cc1 ZINC000504665732 943735285 /nfs/dbraw/zinc/73/52/85/943735285.db2.gz KQKFJHNDZIVHGY-NSHDSACASA-N -2 3 369.439 3.500 20 0 FHADHL Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000058519019 221120627 /nfs/dbraw/zinc/12/06/27/221120627.db2.gz ZXDYXDIWAATKBA-UHFFFAOYSA-N -2 3 353.827 3.764 20 0 FHADHL O=C([O-])C[C@@H]1CCCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000819370759 597115772 /nfs/dbraw/zinc/11/57/72/597115772.db2.gz QUEYUGICZQVRLT-AWEZNQCLSA-N -2 3 355.390 3.511 20 0 FHADHL O=C([O-])[C@@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])c2ccccc21 ZINC000739614596 600366117 /nfs/dbraw/zinc/36/61/17/600366117.db2.gz YCBWFPIILVJMSG-LJQANCHMSA-N -2 3 373.408 3.812 20 0 FHADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c(C)c1 ZINC000055687800 600811401 /nfs/dbraw/zinc/81/14/01/600811401.db2.gz ANPSNUUVTAXMCG-UHFFFAOYSA-N -2 3 363.435 3.591 20 0 FHADHL O=C([O-])c1cccc(-c2nc(C[S@@](=O)c3ccc([O-])cc3)cs2)c1 ZINC000833326863 600882307 /nfs/dbraw/zinc/88/23/07/600882307.db2.gz WLDYFNNNSAHHSJ-XMMPIXPASA-N -2 3 359.428 3.522 20 0 FHADHL O=C([O-])Nc1ccc(F)c([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000740704023 602653515 /nfs/dbraw/zinc/65/35/15/602653515.db2.gz SKUNKVHUUBXGBX-UHFFFAOYSA-N -2 3 362.741 3.509 20 0 FHADHL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000548205603 932615440 /nfs/dbraw/zinc/61/54/40/932615440.db2.gz GMSOIHMHOJLPQW-UHFFFAOYSA-N -2 3 353.827 3.764 20 0 FHADHL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)cc(F)c1F ZINC000431150074 933939191 /nfs/dbraw/zinc/93/91/91/933939191.db2.gz MTCQHEUEFJCWER-UHFFFAOYSA-N -2 3 373.352 3.726 20 0 FHADHL CC(C)c1ccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)cc1 ZINC000548594549 934952774 /nfs/dbraw/zinc/95/27/74/934952774.db2.gz ZKDSUJORTUSTHJ-UHFFFAOYSA-N -2 3 355.362 3.587 20 0 FHADHL Cc1cc(C)c([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)c(C(=O)[O-])c1 ZINC000460842875 942275185 /nfs/dbraw/zinc/27/51/85/942275185.db2.gz NXCVTVHKLQDHNO-UHFFFAOYSA-N -2 3 351.399 3.558 20 0 FHADHL CCCc1cc(=O)[n-]c(C(=Cc2ccc(OCCC(=O)[O-])cc2)CC)n1 ZINC000435336507 943339006 /nfs/dbraw/zinc/33/90/06/943339006.db2.gz PEJKGAXVNOTLNH-NTCAYCPXSA-N -2 3 356.422 3.527 20 0 FHADHL O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)c1cc(F)c([O-])c(Cl)c1 ZINC000436626704 944467612 /nfs/dbraw/zinc/46/76/12/944467612.db2.gz QIRDJLDCNSHPSL-UHFFFAOYSA-N -2 3 372.743 3.968 20 0 FHADHL CCC(=O)c1ccc([O-])c(NC(=O)c2cc([O-])ccc2C(F)(F)F)c1 ZINC000436647300 944496013 /nfs/dbraw/zinc/49/60/13/944496013.db2.gz JGLWSQZEZSNKAJ-UHFFFAOYSA-N -2 3 353.296 3.962 20 0 FHADHL COc1cc(/C=C/c2nc(C(=O)[O-])c(C)s2)cc(Br)c1[O-] ZINC000436784882 944630123 /nfs/dbraw/zinc/63/01/23/944630123.db2.gz RUPNMFFKFMYRHR-ONEGZZNKSA-N -2 3 370.224 3.797 20 0 FHADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000058518793 221120228 /nfs/dbraw/zinc/12/02/28/221120228.db2.gz KBXPEIYODMZCEL-UHFFFAOYSA-N -2 3 357.790 3.541 20 0 FHADHL Cc1ccc(-c2cc(C(=O)O[C@H](C(=O)[O-])c3cccc(Cl)c3)n[n-]2)o1 ZINC000738489012 600326432 /nfs/dbraw/zinc/32/64/32/600326432.db2.gz YJAYLBDXERYODO-HNNXBMFYSA-N -2 3 360.753 3.614 20 0 FHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c(C)c1 ZINC000501799063 600483267 /nfs/dbraw/zinc/48/32/67/600483267.db2.gz OJKQJPDTHQKSSQ-UHFFFAOYSA-N -2 3 369.826 3.546 20 0 FHADHL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c(C)c1 ZINC000392188281 601325632 /nfs/dbraw/zinc/32/56/32/601325632.db2.gz INTFOJUBENFPEZ-UHFFFAOYSA-N -2 3 363.435 3.510 20 0 FHADHL Cc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)[O-])ccc2F)c(Cl)c1 ZINC000740147274 602653485 /nfs/dbraw/zinc/65/34/85/602653485.db2.gz MJYHPJCHQWJANT-UHFFFAOYSA-N -2 3 358.778 3.678 20 0 FHADHL CCSc1ccc(Cl)cc1[N-]C(=O)c1csc(CNC(=O)[O-])n1 ZINC000739516548 602703596 /nfs/dbraw/zinc/70/35/96/602703596.db2.gz GDNGBNNUTCJQIT-UHFFFAOYSA-N -2 3 371.871 3.928 20 0 FHADHL Cc1sc([N-]S(=O)(=O)/C=C\c2ccc(F)cc2)c(C(=O)[O-])c1C ZINC000833758460 605302896 /nfs/dbraw/zinc/30/28/96/605302896.db2.gz YQFXZJCDFJCGJV-FPLPWBNLSA-N -2 3 355.412 3.615 20 0 FHADHL O=S(=O)([O-])c1cc(O)c2ccc(Nc3cccc([O-])c3Cl)cc2c1 ZINC001210855416 930415215 /nfs/dbraw/zinc/41/52/15/930415215.db2.gz ZTUQYSDGPKEHHK-UHFFFAOYSA-N -2 3 365.794 3.895 20 0 FHADHL CCS(=O)(=O)c1ccc([O-])c(Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC001210926249 930513849 /nfs/dbraw/zinc/51/38/49/930513849.db2.gz BVXSRXVNHFKAKJ-UHFFFAOYSA-N -2 3 362.234 3.942 20 0 FHADHL CC(C)(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000318646430 940689633 /nfs/dbraw/zinc/68/96/33/940689633.db2.gz SCERKDVJVKTWGK-SECBINFHSA-N -2 3 368.282 3.551 20 0 FHADHL Cc1ccc(C)c([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)c1 ZINC000181194206 941361930 /nfs/dbraw/zinc/36/19/30/941361930.db2.gz NCNOXAOAIXAXPM-UHFFFAOYSA-N -2 3 361.463 3.657 20 0 FHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(S[C@H](C)C(=O)[O-])cc2)c(C)c1 ZINC000504666465 943735592 /nfs/dbraw/zinc/73/55/92/943735592.db2.gz UMYLRPKUDOGCAV-CYBMUJFWSA-N -2 3 365.476 3.669 20 0 FHADHL Cc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c(OC(F)F)cc1C ZINC000504713211 943755343 /nfs/dbraw/zinc/75/53/43/943755343.db2.gz VBMLBAWJZYFBRV-SNAWJCMRSA-N -2 3 364.348 3.506 20 0 FHADHL Cc1nc(C=Cc2cc(Cl)ccc2OCC2CC2)[n-]c(=O)c1CC(=O)[O-] ZINC000504740454 943763916 /nfs/dbraw/zinc/76/39/16/943763916.db2.gz HBVNGFMYYLKEJS-DAXSKMNVSA-N -2 3 374.824 3.730 20 0 FHADHL Cc1nc(C=Cc2cccc(OC3CCCC3)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504719782 943768041 /nfs/dbraw/zinc/76/80/41/943768041.db2.gz DIZOVJGIKPDRPG-KTKRTIGZSA-N -2 3 354.406 3.610 20 0 FHADHL CCCOc1ccc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)cc1 ZINC000507023470 944890500 /nfs/dbraw/zinc/89/05/00/944890500.db2.gz VAGTWNIZFPSLTB-UHFFFAOYSA-N -2 3 363.435 3.591 20 0 FHADHL O=C(N=c1[n-]nc(C=Cc2ccco2)s1)c1cc(-c2ccco2)[n-]n1 ZINC000497478744 516323489 /nfs/dbraw/zinc/32/34/89/516323489.db2.gz ZAMXSRHFBOMROZ-WAYWQWQTSA-N -2 3 353.363 3.537 20 0 FHADHL O=C(N=c1[n-]nc(C=Cc2ccco2)s1)c1cc(-c2ccco2)n[n-]1 ZINC000497478744 516323490 /nfs/dbraw/zinc/32/34/90/516323490.db2.gz ZAMXSRHFBOMROZ-WAYWQWQTSA-N -2 3 353.363 3.537 20 0 FHADHL CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc(N(C)C(=O)[O-])cc1 ZINC000737267024 600635610 /nfs/dbraw/zinc/63/56/10/600635610.db2.gz LGTLFYKMFKAUTB-UHFFFAOYSA-N -2 3 362.451 3.726 20 0 FHADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)ccc1OC(C)C ZINC000507924019 600897772 /nfs/dbraw/zinc/89/77/72/600897772.db2.gz ZULINLCPIFLZEJ-UHFFFAOYSA-N -2 3 363.435 3.590 20 0 FHADHL O=C([O-])NCc1ccc(C(=O)[N-]c2cc(F)ccc2SCC(F)F)o1 ZINC000832702498 602970568 /nfs/dbraw/zinc/97/05/68/602970568.db2.gz QCGDYJIUGJNFCU-UHFFFAOYSA-N -2 3 374.340 3.796 20 0 FHADHL O=C([O-])c1sc(NCc2ccc([O-])c(Br)c2)nc1Cl ZINC000833345681 604285554 /nfs/dbraw/zinc/28/55/54/604285554.db2.gz CZXJRGDYEWWAPH-UHFFFAOYSA-N -2 3 363.620 3.575 20 0 FHADHL Cc1ccc(N2C(=O)N[C@H](c3ccc([O-])c(F)c3)C(C(=O)[O-])=C2C)cc1F ZINC000833576958 604556431 /nfs/dbraw/zinc/55/64/31/604556431.db2.gz MPXBJYJDPISOQT-QGZVFWFLSA-N -2 3 374.343 3.608 20 0 FHADHL C[C@@H](C(=O)[O-])[C@H]([N-]C(=O)C(F)(F)c1c(F)cccc1F)c1ccccc1 ZINC000833413220 604642042 /nfs/dbraw/zinc/64/20/42/604642042.db2.gz YIMRHGXXULCIRI-BMIGLBTASA-N -2 3 369.314 3.635 20 0 FHADHL CC1(C)Cc2ccc(C(=O)Nc3ccc(F)c(NC(=O)[O-])c3)c([O-])c2O1 ZINC000833562002 604707941 /nfs/dbraw/zinc/70/79/41/604707941.db2.gz CGTJLUZSGAOEHR-UHFFFAOYSA-N -2 3 360.341 3.587 20 0 FHADHL C[C@@H](Sc1ccccc1C(=O)Nc1cc(Cl)ccc1[O-])C(=O)[O-] ZINC000833546145 604956848 /nfs/dbraw/zinc/95/68/48/604956848.db2.gz YOXXTKXIMICGJE-SECBINFHSA-N -2 3 351.811 3.863 20 0 FHADHL CC(C)(C)C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)[O-] ZINC000833430587 605147855 /nfs/dbraw/zinc/14/78/55/605147855.db2.gz XFQQKPWFAGTOSM-CYBMUJFWSA-N -2 3 372.450 3.503 20 0 FHADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)c1C ZINC000471137037 927725789 /nfs/dbraw/zinc/72/57/89/927725789.db2.gz PFEQAKWWOGLHHA-UHFFFAOYSA-N -2 3 373.352 3.821 20 0 FHADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cccc(C(F)F)c2)c1C(=O)[O-] ZINC000780380514 938632646 /nfs/dbraw/zinc/63/26/46/938632646.db2.gz SJZXPFLYNAOUAR-UHFFFAOYSA-N -2 3 359.325 3.571 20 0 FHADHL CCN(CC)c1ccc(C)c(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)c1 ZINC001167939249 941717835 /nfs/dbraw/zinc/71/78/35/941717835.db2.gz RKALXXPTHDDMNN-UHFFFAOYSA-N -2 3 374.421 3.926 20 0 FHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c(C)c1 ZINC000501789433 942673687 /nfs/dbraw/zinc/67/36/87/942673687.db2.gz CAUCRNZHOTTYTK-UHFFFAOYSA-N -2 3 369.826 3.546 20 0 FHADHL Cc1nc(C=Cc2ccc(OCCC(C)C)cc2)[n-]c(=O)c1CC(=O)[O-] ZINC000504730612 943773118 /nfs/dbraw/zinc/77/31/18/943773118.db2.gz MQQKWMSIRXQKBN-RMKNXTFCSA-N -2 3 356.422 3.713 20 0 FHADHL CCC[C@@H](CCCC[N-]S(=O)(=O)c1cc(C)c(Cl)s1)C(=O)[O-] ZINC000517670910 944494493 /nfs/dbraw/zinc/49/44/93/944494493.db2.gz MDAOFXVQZZFVIA-NSHDSACASA-N -2 3 367.920 3.659 20 0 FHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)cc1C(F)(F)F ZINC000500324607 944512996 /nfs/dbraw/zinc/51/29/96/944512996.db2.gz FSAJEEDRQHLAGX-UHFFFAOYSA-N -2 3 373.352 3.821 20 0 FHADHL CCOc1cc(/C=C/c2cc(C(=O)[O-])ccn2)cc(Br)c1[O-] ZINC000436817210 944652940 /nfs/dbraw/zinc/65/29/40/944652940.db2.gz RHUZZTJYOBBBAY-ONEGZZNKSA-N -2 3 364.195 3.817 20 0 FHADHL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000055555027 221071510 /nfs/dbraw/zinc/07/15/10/221071510.db2.gz CUFOXRNPQDUEGI-UHFFFAOYSA-N -2 3 355.362 3.587 20 0 FHADHL O=S(=O)([N-]c1ccccc1CC(F)(F)F)c1cccc(Cl)c1[O-] ZINC000436479777 569966291 /nfs/dbraw/zinc/96/62/91/569966291.db2.gz XQVOMFJULGVQRO-UHFFFAOYSA-N -2 3 365.760 3.951 20 0 FHADHL CCCc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C(=O)[O-])cc2)cc1 ZINC000737050391 600299689 /nfs/dbraw/zinc/29/96/89/600299689.db2.gz JEKHKWJWNJTZNN-UHFFFAOYSA-N -2 3 362.451 3.550 20 0 FHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)ccc1Cl ZINC000013262380 601826728 /nfs/dbraw/zinc/82/67/28/601826728.db2.gz CAETZJFMIZORTK-UHFFFAOYSA-N -2 3 364.181 3.632 20 0 FHADHL COc1ccc(NC(=O)[O-])c([N-]S(=O)(=O)C=Cc2ccc(C)cc2)c1 ZINC000739917809 602652208 /nfs/dbraw/zinc/65/22/08/602652208.db2.gz MABOSGVJGRQSBL-MDZDMXLPSA-N -2 3 362.407 3.506 20 0 FHADHL CCCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000047318168 929866838 /nfs/dbraw/zinc/86/68/38/929866838.db2.gz YCIDGNQEEQPBFZ-UHFFFAOYSA-N -2 3 369.826 3.628 20 0 FHADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C(C)(C)C[C@H](C)C(=O)[O-] ZINC000548290695 932842962 /nfs/dbraw/zinc/84/29/62/932842962.db2.gz XYGNJVDQJAXARM-VIFPVBQESA-N -2 3 373.858 3.562 20 0 FHADHL Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCCC2 ZINC000511136890 935771248 /nfs/dbraw/zinc/77/12/48/935771248.db2.gz UHRJYDQTYAJKCA-UHFFFAOYSA-N -2 3 363.410 3.512 20 0 FHADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)c1 ZINC000511139994 935773055 /nfs/dbraw/zinc/77/30/55/935773055.db2.gz FCYIDFNJZPWAPJ-UHFFFAOYSA-N -2 3 351.399 3.757 20 0 FHADHL COc1ccc(S(=O)(=O)[N-]c2c(C(=O)[O-])cccc2C(C)C)c(C)c1 ZINC000511278526 938981429 /nfs/dbraw/zinc/98/14/29/938981429.db2.gz FSWQQTYQBZSUTI-UHFFFAOYSA-N -2 3 363.435 3.626 20 0 FHADHL CCc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)ccc1F ZINC000507564896 945334530 /nfs/dbraw/zinc/33/45/30/945334530.db2.gz KQJIJIPYMMXSEM-UHFFFAOYSA-N -2 3 351.399 3.504 20 0 FHADHL CCCc1cc(=O)[n-]c(C(=Cc2cccc(O[C@@H](C)C(=O)[O-])c2)CC)n1 ZINC000435337028 943339756 /nfs/dbraw/zinc/33/97/56/943339756.db2.gz SPBAFMIZHHPXDC-OJNRTJSBSA-N -2 3 356.422 3.525 20 0 FHADHL Cc1nc(C=Cc2cc(Cl)ccc2OC(F)F)[n-]c(=O)c1CC(=O)[O-] ZINC000504739184 943764149 /nfs/dbraw/zinc/76/41/49/943764149.db2.gz BPNAACWIXZLSKB-GORDUTHDSA-N -2 3 370.739 3.543 20 0 FHADHL CCSc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1 ZINC000466272821 600258259 /nfs/dbraw/zinc/25/82/59/600258259.db2.gz XUOFEEGHUICHAD-UHFFFAOYSA-N -2 3 351.449 3.606 20 0 FHADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1Cl ZINC000060554442 600482920 /nfs/dbraw/zinc/48/29/20/600482920.db2.gz AUYKIQBQSRYOSI-UHFFFAOYSA-N -2 3 365.838 3.718 20 0 FHADHL COc1ccc(NC(=O)[O-])c([N-]S(=O)(=O)C=Cc2ccc(C)cc2)c1 ZINC000739917808 602652204 /nfs/dbraw/zinc/65/22/04/602652204.db2.gz MABOSGVJGRQSBL-KTKRTIGZSA-N -2 3 362.407 3.506 20 0 FHADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(SCCC(=O)[O-])c2)c(C)c1 ZINC000833751262 604539128 /nfs/dbraw/zinc/53/91/28/604539128.db2.gz SEYJWDRONUGCET-UHFFFAOYSA-N -2 3 365.476 3.671 20 0 FHADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000326923809 604990172 /nfs/dbraw/zinc/99/01/72/604990172.db2.gz UTZXWKMLXLVSSN-UHFFFAOYSA-N -2 3 369.826 3.626 20 0 FHADHL CC(C)(C)C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)[O-] ZINC000833430588 605147938 /nfs/dbraw/zinc/14/79/38/605147938.db2.gz XFQQKPWFAGTOSM-ZDUSSCGKSA-N -2 3 372.450 3.503 20 0 FHADHL O=C([O-])N1CCC(CSCc2nc3c4ccccc4oc3c(=O)[n-]2)CC1 ZINC000834082663 605409877 /nfs/dbraw/zinc/40/98/77/605409877.db2.gz RKZIUNGKPQKXKA-UHFFFAOYSA-N -2 3 373.434 3.705 20 0 FHADHL O=C([O-])Nc1ccc([N-]S(=O)(=O)Cc2ccccc2)c(C(F)(F)F)c1 ZINC000834262419 605736348 /nfs/dbraw/zinc/73/63/48/605736348.db2.gz PTRGOZGIFWOEFP-UHFFFAOYSA-N -2 3 374.340 3.737 20 0 FHADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2cccc3ccccc32)c1F ZINC000548588867 934941125 /nfs/dbraw/zinc/94/11/25/934941125.db2.gz YVFMOPVTAWTUGU-UHFFFAOYSA-N -2 3 363.341 3.617 20 0 FHADHL O=S(=O)(/C=C\c1cccc(Br)c1)[N-]c1cc(F)ccc1[O-] ZINC000255903907 940956311 /nfs/dbraw/zinc/95/63/11/940956311.db2.gz XLRRWRNIECMSSN-SREVYHEPSA-N -2 3 372.215 3.706 20 0 FHADHL COc1c(Cl)cc(Cl)cc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000504721376 943769290 /nfs/dbraw/zinc/76/92/90/943769290.db2.gz PFUPTJGZMYFZSB-ARJAWSKDSA-N -2 3 369.204 3.604 20 0 FHADHL Cc1nc(C=Cc2cc(C(F)(F)F)ccc2Cl)[n-]c(=O)c1CC(=O)[O-] ZINC000504728483 943772638 /nfs/dbraw/zinc/77/26/38/943772638.db2.gz CXIRESPRRVOQLO-GORDUTHDSA-N -2 3 372.730 3.960 20 0 FHADHL CCOC(=O)c1cnc(C(C)=Cc2cc(Cl)c([O-])cc2Cl)[n-]c1=O ZINC000436967694 944845264 /nfs/dbraw/zinc/84/52/64/944845264.db2.gz RGRAVFJZERGSJE-YWEYNIOJSA-N -2 3 369.204 3.932 20 0 FHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1C ZINC000324870262 946741346 /nfs/dbraw/zinc/74/13/46/946741346.db2.gz OICBZQVYNQBZFA-UHFFFAOYSA-N -2 3 369.826 3.546 20 0 FHADHL Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000391549931 948271889 /nfs/dbraw/zinc/27/18/89/948271889.db2.gz DJZOXOAYYGHTBH-UHFFFAOYSA-N -2 3 357.790 3.595 20 0 FHADHL CCOc1cc(-c2noc(-c3ccc(OC)cc3[O-])n2)cc(Cl)c1[O-] ZINC000445413639 948759308 /nfs/dbraw/zinc/75/93/08/948759308.db2.gz ZTPPPYHZWDUTGL-UHFFFAOYSA-N -2 3 362.769 3.876 20 0 FHADHL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000055554965 221071586 /nfs/dbraw/zinc/07/15/86/221071586.db2.gz OHPKPDFYPVXROZ-UHFFFAOYSA-N -2 3 355.362 3.587 20 0 FHADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(CCCl)cc2)cc1Cl ZINC000146188870 600482290 /nfs/dbraw/zinc/48/22/90/600482290.db2.gz HAJSJZCBYUMWHW-UHFFFAOYSA-N -2 3 374.245 3.620 20 0 FHADHL CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000057177993 600482750 /nfs/dbraw/zinc/48/27/50/600482750.db2.gz BQBRKZHEHBEDBU-UHFFFAOYSA-N -2 3 369.826 3.628 20 0 FHADHL O=C([O-])CCCc1nnc([N-]C(=O)c2cc3cc(F)ccc3s2)s1 ZINC000739711747 600555273 /nfs/dbraw/zinc/55/52/73/600555273.db2.gz QUGZYAMSZYEMBM-UHFFFAOYSA-N -2 3 365.411 3.552 20 0 FHADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(C)c1 ZINC000525534537 600897745 /nfs/dbraw/zinc/89/77/45/600897745.db2.gz HALFURAZUBKNKS-UHFFFAOYSA-N -2 3 363.435 3.590 20 0 FHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)cc1 ZINC000131937097 601558560 /nfs/dbraw/zinc/55/85/60/601558560.db2.gz BMBUQHCQDMTIFG-UHFFFAOYSA-N -2 3 373.352 3.681 20 0 FHADHL Cc1sc(C(=O)[O-])cc1CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000833032715 601617443 /nfs/dbraw/zinc/61/74/43/601617443.db2.gz MQQBBPZMLPVFNS-UHFFFAOYSA-N -2 3 359.447 3.555 20 0 FHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)cc1 ZINC000464839091 601617839 /nfs/dbraw/zinc/61/78/39/601617839.db2.gz PKTGJQDPRSMLHF-UHFFFAOYSA-N -2 3 373.352 3.681 20 0 FHADHL Cc1ccc(-c2cc(C(=O)[N-]c3nc(CCCC(=O)[O-])cs3)on2)cc1 ZINC000832905953 601743237 /nfs/dbraw/zinc/74/32/37/601743237.db2.gz LJNUBKXSRZYUOU-UHFFFAOYSA-N -2 3 371.418 3.766 20 0 FHADHL Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)[O-])c1 ZINC000740119365 602646588 /nfs/dbraw/zinc/64/65/88/602646588.db2.gz OWHULUVGRULUIC-UHFFFAOYSA-N -2 3 360.435 3.535 20 0 FHADHL O=C([O-])Nc1ccc(F)c([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000740703017 602653432 /nfs/dbraw/zinc/65/34/32/602653432.db2.gz GUFNDUAJVYOBQS-UHFFFAOYSA-N -2 3 360.366 3.870 20 0 FHADHL CC(C)(C)c1ccc(-c2cc([N-]C(=O)c3cc(C(=O)[O-])no3)on2)cc1 ZINC000833450187 605871266 /nfs/dbraw/zinc/87/12/66/605871266.db2.gz JAXYOKWOTCZUQR-UHFFFAOYSA-N -2 3 355.350 3.578 20 0 FHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc(C(=O)[O-])c1C ZINC000471116209 927464446 /nfs/dbraw/zinc/46/44/46/927464446.db2.gz LPMNIEPIVBPUAA-UHFFFAOYSA-N -2 3 357.790 3.595 20 0 FHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc(C(=O)[O-])c1C ZINC000471124647 927610276 /nfs/dbraw/zinc/61/02/76/927610276.db2.gz MXSFYEMJWKHCMK-UHFFFAOYSA-N -2 3 353.827 3.764 20 0 FHADHL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c(C)c1 ZINC000048382900 931879318 /nfs/dbraw/zinc/87/93/18/931879318.db2.gz OZCGWBJVRNQDOZ-UHFFFAOYSA-N -2 3 363.435 3.510 20 0 FHADHL CC(C)Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)cc1 ZINC000548221206 932655921 /nfs/dbraw/zinc/65/59/21/932655921.db2.gz RAAXNBGSWFIMTA-UHFFFAOYSA-N -2 3 369.389 3.662 20 0 FHADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2ccc3ccccc3c2)c1F ZINC000548555681 934867779 /nfs/dbraw/zinc/86/77/79/934867779.db2.gz WAICHOJVMHHSML-UHFFFAOYSA-N -2 3 363.341 3.617 20 0 FHADHL Cc1ccnc2cc(NC3(P(=O)([O-])[O-])Cc4ccccc4C3)ccc12 ZINC001167937349 941699977 /nfs/dbraw/zinc/69/99/77/941699977.db2.gz WHHOLMQGUMLPLD-UHFFFAOYSA-N -2 3 354.346 3.628 20 0 FHADHL Cc1nc(C=Cc2cc(Cl)ccc2OC(F)F)[n-]c(=O)c1CC(=O)[O-] ZINC000504739183 943764167 /nfs/dbraw/zinc/76/41/67/943764167.db2.gz BPNAACWIXZLSKB-DJWKRKHSSA-N -2 3 370.739 3.543 20 0 FHADHL COc1c(Cl)cc(Cl)cc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000504721377 943769157 /nfs/dbraw/zinc/76/91/57/943769157.db2.gz PFUPTJGZMYFZSB-ONEGZZNKSA-N -2 3 369.204 3.604 20 0 FHADHL CCCc1cc(=O)[n-]c(C(=Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)CC)n1 ZINC000504743217 943777519 /nfs/dbraw/zinc/77/75/19/943777519.db2.gz UCRYZNNCTNGDPX-JMRXEAOASA-N -2 3 356.422 3.525 20 0 FHADHL CC[C@H](C)c1cc(C(=O)[N-]c2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)on1 ZINC000436916516 944799541 /nfs/dbraw/zinc/79/95/41/944799541.db2.gz WXPMUEWUHJGSDB-QMMMGPOBSA-N -2 3 361.789 3.585 20 0 FHADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(CSC)cc2)cc1C(=O)[O-] ZINC000440816941 945916576 /nfs/dbraw/zinc/91/65/76/945916576.db2.gz OEPLSBDOZUOTDD-UHFFFAOYSA-N -2 3 365.476 3.611 20 0 FHADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)c(C)c1 ZINC000614732163 946461503 /nfs/dbraw/zinc/46/15/03/946461503.db2.gz JHOZKMIUMZICRV-UHFFFAOYSA-N -2 3 359.447 3.681 20 0 FHADHL Cc1ccc(-c2cc(C(=O)O[C@@H](C(=O)[O-])c3cccc(Cl)c3)n[n-]2)o1 ZINC000738489014 600326268 /nfs/dbraw/zinc/32/62/68/600326268.db2.gz YJAYLBDXERYODO-OAHLLOKOSA-N -2 3 360.753 3.614 20 0 FHADHL Cc1cc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)ccc1C(=O)[O-] ZINC000507890838 600686071 /nfs/dbraw/zinc/68/60/71/600686071.db2.gz QXTSTSFOJAQNRW-UHFFFAOYSA-N -2 3 373.352 3.599 20 0 FHADHL CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC000172605488 600898544 /nfs/dbraw/zinc/89/85/44/600898544.db2.gz DUQQGPJCTWTOMZ-UHFFFAOYSA-N -2 3 361.463 3.973 20 0 FHADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000323929772 601828431 /nfs/dbraw/zinc/82/84/31/601828431.db2.gz YQKBITIBPQIDBA-UHFFFAOYSA-N -2 3 369.826 3.626 20 0 FHADHL CSc1ccc(Cl)cc1[N-]C(=O)c1csc(CNC(=O)[O-])n1 ZINC000740016551 602701150 /nfs/dbraw/zinc/70/11/50/602701150.db2.gz RLNLNYMVMHNBOT-UHFFFAOYSA-N -2 3 357.844 3.538 20 0 FHADHL Cc1sc([N-]S(=O)(=O)C2=Cc3ccccc3CC2)c(C(=O)[O-])c1C ZINC000833758084 605302882 /nfs/dbraw/zinc/30/28/82/605302882.db2.gz LWXZYLQRTIRINS-UHFFFAOYSA-N -2 3 363.460 3.792 20 0 FHADHL CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)cc1 ZINC000547616148 927065637 /nfs/dbraw/zinc/06/56/37/927065637.db2.gz ZRJLQVPLTRPTQQ-SNVBAGLBSA-N -2 3 369.389 3.977 20 0 FHADHL O=C([O-])c1c(Cl)ccc(Nc2ncc(Br)cc2[O-])c1F ZINC001215694771 931810993 /nfs/dbraw/zinc/81/09/93/931810993.db2.gz KCWWWVWVCTWETA-UHFFFAOYSA-N -2 3 361.554 3.784 20 0 FHADHL Cc1cccc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])c1Cl ZINC000548198680 932581777 /nfs/dbraw/zinc/58/17/77/932581777.db2.gz VVPURHRCJYJNNM-UHFFFAOYSA-N -2 3 360.218 3.801 20 0 FHADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)(C)C ZINC000548590674 934945678 /nfs/dbraw/zinc/94/56/78/934945678.db2.gz SZRNLNVWOJLEHT-ZDUSSCGKSA-N -2 3 373.858 3.562 20 0 FHADHL CCCc1cc(=O)[n-]c(C(=Cc2cccc(O[C@H](C)C(=O)[O-])c2)CC)n1 ZINC000435337027 943339390 /nfs/dbraw/zinc/33/93/90/943339390.db2.gz SPBAFMIZHHPXDC-NWFCWYBLSA-N -2 3 356.422 3.525 20 0 FHADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(S[C@H](C)C(=O)[O-])cc2)cc1 ZINC000504664508 943734901 /nfs/dbraw/zinc/73/49/01/943734901.db2.gz ACFMRZSAHHIFOC-GFCCVEGCSA-N -2 3 365.476 3.615 20 0 FHADHL Cc1ccc(-c2ncc(C=Cc3nc(C)c(CC(=O)[O-])c(=O)[n-]3)s2)cc1 ZINC000504733035 943761156 /nfs/dbraw/zinc/76/11/56/943761156.db2.gz SNQWAYCDXALYFU-BQYQJAHWSA-N -2 3 367.430 3.720 20 0 FHADHL Cc1nc(C=Cc2csc(-c3ccc(F)cc3)n2)[n-]c(=O)c1CC(=O)[O-] ZINC000504729769 943774177 /nfs/dbraw/zinc/77/41/77/943774177.db2.gz KMKGZJGITGFALI-VOTSOKGWSA-N -2 3 371.393 3.551 20 0 FHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(C)c2)cc1C(=O)[O-] ZINC000438773479 945013415 /nfs/dbraw/zinc/01/34/15/945013415.db2.gz MUJHCAVTDKDLEL-UHFFFAOYSA-N -2 3 373.352 3.821 20 0 FHADHL O=C([O-])CC1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC000738563162 599740071 /nfs/dbraw/zinc/74/00/71/599740071.db2.gz MAWSNRYIZXBVMG-UHFFFAOYSA-N -2 3 367.445 3.504 20 0 FHADHL CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1 ZINC000477399667 599907075 /nfs/dbraw/zinc/90/70/75/599907075.db2.gz CNJKSOLUCSUDIO-LBPRGKRZSA-N -2 3 363.435 3.671 20 0 FHADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c(F)c1 ZINC000387831396 600169681 /nfs/dbraw/zinc/16/96/81/600169681.db2.gz ZCAOHZGTPNTCBK-UHFFFAOYSA-N -2 3 364.181 3.632 20 0 FHADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)c1 ZINC000740076305 600887782 /nfs/dbraw/zinc/88/77/82/600887782.db2.gz WABUFPVCEPDDFT-UHFFFAOYSA-N -2 3 364.181 3.632 20 0 FHADHL CCCc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC000393079511 600898756 /nfs/dbraw/zinc/89/87/56/600898756.db2.gz AETJRGTXWPKLPI-UHFFFAOYSA-N -2 3 361.463 3.802 20 0 FHADHL O=C([O-])c1ccc(C[N-]c2nc(-c3cc(Cl)cc(Cl)c3)no2)o1 ZINC000833315469 601252549 /nfs/dbraw/zinc/25/25/49/601252549.db2.gz TWFVRLSQLHLTMH-UHFFFAOYSA-N -2 3 354.149 3.947 20 0 FHADHL Cc1sc(C(=O)[O-])cc1CO[N-]C(=O)Cc1cccc2ccccc21 ZINC000833032093 601636670 /nfs/dbraw/zinc/63/66/70/601636670.db2.gz ZDTSYAKXIPJUEL-UHFFFAOYSA-N -2 3 355.415 3.698 20 0 FHADHL Cc1ccc(C(=O)Nc2ccc(Br)cc2[O-])cc1NC(=O)[O-] ZINC000830230725 603327078 /nfs/dbraw/zinc/32/70/78/603327078.db2.gz OQHIDPDKYQNPOB-UHFFFAOYSA-N -2 3 365.183 3.805 20 0 FHADHL CC(C)N(CCC(=O)[O-])C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000833496621 604711756 /nfs/dbraw/zinc/71/17/56/604711756.db2.gz GKJSZFVPWQJZCS-UHFFFAOYSA-N -2 3 355.434 3.503 20 0 FHADHL O=C([O-])c1ccnc(-c2nc(=O)c3c(-c4ccc(F)cc4)csc3[n-]2)c1 ZINC000833334351 604972422 /nfs/dbraw/zinc/97/24/22/604972422.db2.gz GPBVBIPJGOTIPU-UHFFFAOYSA-N -2 3 367.361 3.963 20 0 FHADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000538011620 605005637 /nfs/dbraw/zinc/00/56/37/605005637.db2.gz XNEYTGHXRMCLLW-UHFFFAOYSA-N -2 3 369.826 3.626 20 0 FHADHL Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc(C(=O)[O-])cc3)nc(=O)c2c1C ZINC000821257584 605525967 /nfs/dbraw/zinc/52/59/67/605525967.db2.gz SIXTVLNVBLJCSS-SECBINFHSA-N -2 3 372.402 3.630 20 0 FHADHL O=C([O-])Nc1ccc(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)c([O-])c1 ZINC000834256595 605594319 /nfs/dbraw/zinc/59/43/19/605594319.db2.gz QUJXHIFIKVQDCI-UHFFFAOYSA-N -2 3 362.292 3.548 20 0 FHADHL Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000155517627 929873550 /nfs/dbraw/zinc/87/35/50/929873550.db2.gz RFKDBOCUNOQXFD-UHFFFAOYSA-N -2 3 370.236 3.641 20 0 FHADHL Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000581925259 933043068 /nfs/dbraw/zinc/04/30/68/933043068.db2.gz QYMRMXBHFMUFEV-UHFFFAOYSA-N -2 3 355.843 3.942 20 0 FHADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000535766965 934357016 /nfs/dbraw/zinc/35/70/16/934357016.db2.gz BIWISZHIIGEREZ-UHFFFAOYSA-N -2 3 355.390 3.903 20 0 FHADHL Cc1cc(Br)c([O-])c([N-]S(=O)(=O)CCC(C)(C)C)c1 ZINC000582578329 935849217 /nfs/dbraw/zinc/84/92/17/935849217.db2.gz FOPSWGVECJZTAP-UHFFFAOYSA-N -2 3 350.278 3.641 20 0 FHADHL O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc(Br)ccc1[O-] ZINC000436779327 944610631 /nfs/dbraw/zinc/61/06/31/944610631.db2.gz JOJFOIWEQZQAEL-UHFFFAOYSA-N -2 3 374.194 3.503 20 0 FHADHL CC[C@H](c1n[n-]c(=NC(=O)NCc2ncccc2[O-])s1)c1ccccc1 ZINC000471293429 514828868 /nfs/dbraw/zinc/82/88/68/514828868.db2.gz UHFOFFWQQCQJHE-ZDUSSCGKSA-N -2 3 369.450 3.502 20 0 FHADHL CCCCc1n[n-]c(=NCc2ccc(OC)c([O-])c2Br)o1 ZINC000545497740 517267430 /nfs/dbraw/zinc/26/74/30/517267430.db2.gz NBMXACMDVIFMNV-UHFFFAOYSA-N -2 3 356.220 3.501 20 0 FHADHL CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)cc1 ZINC000327452035 599853772 /nfs/dbraw/zinc/85/37/72/599853772.db2.gz IZGFJVIAVRECKM-UHFFFAOYSA-N -2 3 361.463 3.703 20 0 FHADHL O=C([O-])c1ccc2c(c1)CN(C(=O)c1cc(Cc3ccccc3)ccc1[O-])C2 ZINC000740199620 600104124 /nfs/dbraw/zinc/10/41/24/600104124.db2.gz UPJHEFQBBINJSM-UHFFFAOYSA-N -2 3 373.408 3.837 20 0 FHADHL CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C(=O)[O-])cc2)cc1 ZINC000736520403 600300133 /nfs/dbraw/zinc/30/01/33/600300133.db2.gz GOMYMDVWNUGFAD-UHFFFAOYSA-N -2 3 362.451 3.721 20 0 FHADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)ccc1C(F)(F)F ZINC000438755725 600686220 /nfs/dbraw/zinc/68/62/20/600686220.db2.gz NRTZSVKQBPECCX-UHFFFAOYSA-N -2 3 359.325 3.513 20 0 FHADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(CC(F)(F)F)c1 ZINC000466293335 600686230 /nfs/dbraw/zinc/68/62/30/600686230.db2.gz MIKQINOFFRWYEY-UHFFFAOYSA-N -2 3 373.352 3.599 20 0 FHADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000740075746 600887756 /nfs/dbraw/zinc/88/77/56/600887756.db2.gz NXGBCEKICBUYEI-UHFFFAOYSA-N -2 3 364.181 3.632 20 0 FHADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c(C)c1 ZINC000392613016 604990333 /nfs/dbraw/zinc/99/03/33/604990333.db2.gz NIFKBHDHFGTNOW-UHFFFAOYSA-N -2 3 369.826 3.546 20 0 FHADHL CC(C)c1cccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)c1 ZINC000547614663 927059175 /nfs/dbraw/zinc/05/91/75/927059175.db2.gz FWRHDWNNRHVUQE-UHFFFAOYSA-N -2 3 355.362 3.587 20 0 FHADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)cc1C(=O)[O-] ZINC000068076659 934821739 /nfs/dbraw/zinc/82/17/39/934821739.db2.gz VSHFXFCOXIMFCB-UHFFFAOYSA-N -2 3 371.361 3.522 20 0 FHADHL CCOc1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c2ccccc12 ZINC000448078658 938308563 /nfs/dbraw/zinc/30/85/63/938308563.db2.gz VJTDGJQQSSWICR-UHFFFAOYSA-N -2 3 361.394 3.884 20 0 FHADHL CCOc1cc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)ccc1C ZINC000515067814 943484250 /nfs/dbraw/zinc/48/42/50/943484250.db2.gz DSBJCQJHFOLHPB-UHFFFAOYSA-N -2 3 363.435 3.510 20 0 FHADHL CCCCCOc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1 ZINC000504719615 943767488 /nfs/dbraw/zinc/76/74/88/943767488.db2.gz BSFFQZDSEGWYLA-FLIBITNWSA-N -2 3 356.422 3.857 20 0 FHADHL O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(Br)cc1[O-] ZINC000436728636 944575520 /nfs/dbraw/zinc/57/55/20/944575520.db2.gz MVPFERPXZDBJAK-UHFFFAOYSA-N -2 3 374.194 3.503 20 0 FHADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1C ZINC000048382857 946654942 /nfs/dbraw/zinc/65/49/42/946654942.db2.gz HVNPHJACULJGQU-UHFFFAOYSA-N -2 3 363.435 3.590 20 0 FHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)ccc1OC(C)C ZINC000392763026 599926486 /nfs/dbraw/zinc/92/64/86/599926486.db2.gz QNGJMUJSFNITHN-UHFFFAOYSA-N -2 3 363.435 3.590 20 0 FHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)c(C)c1 ZINC000738357778 600100994 /nfs/dbraw/zinc/10/09/94/600100994.db2.gz MNWKFTLNHPMYOS-UHFFFAOYSA-N -2 3 352.387 3.642 20 0 FHADHL CCc1ccc([O-])c(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)c1 ZINC000737268224 600109508 /nfs/dbraw/zinc/10/95/08/600109508.db2.gz WNXWXSBWIGTNMZ-UHFFFAOYSA-N -2 3 359.447 3.915 20 0 FHADHL Cc1c([O-])ccc2c(CNc3ccc(CN(C)C(=O)[O-])cc3)cc(=O)oc12 ZINC000738305715 600327243 /nfs/dbraw/zinc/32/72/43/600327243.db2.gz PDUSGADNMKBIST-UHFFFAOYSA-N -2 3 368.389 3.529 20 0 FHADHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1Cl ZINC000075082038 600816757 /nfs/dbraw/zinc/81/67/57/600816757.db2.gz FANZPMZJMAROPZ-UHFFFAOYSA-N -2 3 360.218 3.801 20 0 FHADHL