smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])[C@H]1C ZINC000436587853 861861754 /nfs/dbraw/zinc/86/17/54/861861754.db2.gz GIQRUWLJQOPAOM-KBPBESRZSA-N -2 3 422.934 4.107 20 0 HIADHL O=C([N-]c1nnc([C@H]2CCCc3ccccc32)s1)c1cc(F)c(F)c([O-])c1F ZINC000432587983 859241261 /nfs/dbraw/zinc/24/12/61/859241261.db2.gz NKKDOMKDGPVJMH-NSHDSACASA-N -2 3 405.401 4.382 20 0 HIADHL CCOc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)ccc1OCc1ccccc1 ZINC000470268626 884621112 /nfs/dbraw/zinc/62/11/12/884621112.db2.gz ZDPHMZLLWKUPHM-BENRWUELSA-N -2 3 420.465 4.266 20 0 HIADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(S[C@H](C)C(=O)[O-])cc2)cc1Cl ZINC000504703816 913439518 /nfs/dbraw/zinc/43/95/18/913439518.db2.gz QHWGDNWZFRVISV-LLVKDONJSA-N -2 3 415.920 4.023 20 0 HIADHL CCCOc1c(Cl)cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1OCC ZINC000504742065 913480806 /nfs/dbraw/zinc/48/08/06/913480806.db2.gz OIDQCLKGHJGMEL-VOTSOKGWSA-N -2 3 406.866 4.129 20 0 HIADHL Cc1c(C(=O)[O-])cc(Br)cc1S(=O)(=O)[N-]c1cccc(Cl)c1F ZINC000476244373 891168998 /nfs/dbraw/zinc/16/89/98/891168998.db2.gz CCNMJVLNWLYSLI-UHFFFAOYSA-N -2 3 422.659 4.049 20 0 HIADHL Cc1c(C(=O)[O-])cc(Br)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000476257388 891179786 /nfs/dbraw/zinc/17/97/86/891179786.db2.gz IZSSVLRFTFEDJF-UHFFFAOYSA-N -2 3 422.659 4.049 20 0 HIADHL CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000494662127 905888980 /nfs/dbraw/zinc/88/89/80/905888980.db2.gz CBHXQMKTRIKXBT-UHFFFAOYSA-N -2 3 417.405 4.250 20 0 HIADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)C2(C)CCCCC2)c1 ZINC000548375151 941098227 /nfs/dbraw/zinc/09/82/27/941098227.db2.gz SAEFFPTZIZAHRF-UHFFFAOYSA-N -2 3 418.515 4.111 20 0 HIADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)ccc1Cl ZINC000013341530 845915140 /nfs/dbraw/zinc/91/51/40/845915140.db2.gz AYWQVSPSDJEJCE-UHFFFAOYSA-N -2 3 417.870 4.418 20 0 HIADHL C[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])CC1 ZINC000436537531 861841577 /nfs/dbraw/zinc/84/15/77/861841577.db2.gz HNFZBLJFVZRBNI-AWEZNQCLSA-N -2 3 422.934 4.109 20 0 HIADHL CC(C)[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436542938 861843263 /nfs/dbraw/zinc/84/32/63/861843263.db2.gz BWRRBLFGOHQWIR-GOSISDBHSA-N -2 3 422.934 4.107 20 0 HIADHL CC(C)c1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3nccs3)c2)c([O-])c1 ZINC000436573143 861856662 /nfs/dbraw/zinc/85/66/62/861856662.db2.gz IBYXEBKRVLQNEY-UHFFFAOYSA-N -2 3 417.512 4.025 20 0 HIADHL C[C@@H](N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])C1(C)CC1 ZINC000436582645 861859663 /nfs/dbraw/zinc/85/96/63/861859663.db2.gz FBKZHTDIRYTMDU-CYBMUJFWSA-N -2 3 422.934 4.107 20 0 HIADHL CC[C@@]1(C)CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])C1 ZINC000436587543 861860429 /nfs/dbraw/zinc/86/04/29/861860429.db2.gz XBSZMOLJJVFGCY-FQEVSTJZSA-N -2 3 422.934 4.109 20 0 HIADHL CCc1c(C)sc2nc(-c3ccc([O-])c(I)c3)[n-]c(=O)c12 ZINC000436748022 861930196 /nfs/dbraw/zinc/93/01/96/861930196.db2.gz DCHRXVKUUNOGNX-UHFFFAOYSA-N -2 3 412.252 4.245 20 0 HIADHL CC(C)CN(C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])C1CC1 ZINC000436756742 861945040 /nfs/dbraw/zinc/94/50/40/861945040.db2.gz FBKYTKRROCGQDI-UHFFFAOYSA-N -2 3 422.934 4.107 20 0 HIADHL C[C@@H](NC(=O)c1ccc([O-])cc1F)c1ccccc1NC(=O)c1ccc([O-])cc1F ZINC000436791476 861984119 /nfs/dbraw/zinc/98/41/19/861984119.db2.gz JQCQCZMAFCLINO-GFCCVEGCSA-N -2 3 412.392 4.119 20 0 HIADHL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccc(Br)cc1F ZINC000322230348 855391877 /nfs/dbraw/zinc/39/18/77/855391877.db2.gz BLTSYNDLRRKDLG-UHFFFAOYSA-N -2 3 422.659 4.049 20 0 HIADHL COc1ccc(S(=O)(=O)[N-]c2cccc(CSC(C)C)c2C)cc1C(=O)[O-] ZINC000460840657 873730078 /nfs/dbraw/zinc/73/00/78/873730078.db2.gz PEFWSFVGLDPWGM-UHFFFAOYSA-N -2 3 409.529 4.144 20 0 HIADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3c(F)cccc3Cl)c2)n1 ZINC000463521651 876587634 /nfs/dbraw/zinc/58/76/34/876587634.db2.gz VBHWXMBDYBXBOJ-UHFFFAOYSA-N -2 3 407.854 4.005 20 0 HIADHL Cc1cc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)cc(C(=O)[O-])c1C ZINC000471110515 885644542 /nfs/dbraw/zinc/64/45/42/885644542.db2.gz RGKXPRUWDQNBQE-UHFFFAOYSA-N -2 3 401.406 4.297 20 0 HIADHL Cc1cc(S(=O)(=O)[N-]c2ccc(S[C@@H](C)C(=O)[O-])cc2)ccc1OC(C)C ZINC000504658562 913399802 /nfs/dbraw/zinc/39/98/02/913399802.db2.gz WYHOZANUHBJGOC-AWEZNQCLSA-N -2 3 409.529 4.148 20 0 HIADHL CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(S[C@H](C)C(=O)[O-])cc2)cc1 ZINC000504693892 913430806 /nfs/dbraw/zinc/43/08/06/913430806.db2.gz BUQXFTOTIKLFCG-CQSZACIVSA-N -2 3 409.529 4.087 20 0 HIADHL Cc1nc(C=Cc2ccc(-c3ccc(Br)cc3)o2)[n-]c(=O)c1CC(=O)[O-] ZINC000504720638 913455502 /nfs/dbraw/zinc/45/55/02/913455502.db2.gz KLILEDQDCONZRT-CLFYSBASSA-N -2 3 415.243 4.311 20 0 HIADHL Cc1nc(C=Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504741144 913479646 /nfs/dbraw/zinc/47/96/46/913479646.db2.gz JLTNFPZPQGUWHA-BJMVGYQFSA-N -2 3 423.856 4.194 20 0 HIADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(Cl)c2)ccc1C(=O)[O-] ZINC000507986989 916830068 /nfs/dbraw/zinc/83/00/68/916830068.db2.gz RAZRNGIENBAOEZ-UHFFFAOYSA-N -2 3 423.796 4.089 20 0 HIADHL CC(C)c1csc2nc(-c3ccc(I)c([O-])c3)[n-]c(=O)c21 ZINC000538430477 938618445 /nfs/dbraw/zinc/61/84/45/938618445.db2.gz GPICWUOESUJKPJ-UHFFFAOYSA-N -2 3 412.252 4.498 20 0 HIADHL Cc1ncc(-c2ccc([N-]S(=O)(=O)c3c(C)cc(C)c(CC(=O)[O-])c3C)cc2)o1 ZINC000541078984 939453190 /nfs/dbraw/zinc/45/31/90/939453190.db2.gz SKISELOBJKFLEQ-UHFFFAOYSA-N -2 3 414.483 4.003 20 0 HIADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CCC(=O)[O-])c2ccccc2)c1Cl ZINC000548531083 941112489 /nfs/dbraw/zinc/11/24/89/941112489.db2.gz QCCVWZJLWKULQP-CQSZACIVSA-N -2 3 402.299 4.186 20 0 HIADHL C[C@H]1CCCCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436543941 861844663 /nfs/dbraw/zinc/84/46/63/861844663.db2.gz HNXPXRHJEPPMTM-AWEZNQCLSA-N -2 3 422.934 4.251 20 0 HIADHL C[C@@H]1CC[C@@H](C)N(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])C1 ZINC000436575143 861857735 /nfs/dbraw/zinc/85/77/35/861857735.db2.gz MXJYVJACJUPWGP-ZIAGYGMSSA-N -2 3 422.934 4.107 20 0 HIADHL Cc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C#N)c3ccccc3)cc2)cc1C(=O)[O-] ZINC000032631298 848056878 /nfs/dbraw/zinc/05/68/78/848056878.db2.gz RGDDNRRPJRLKPG-NRFANRHFSA-N -2 3 406.463 4.150 20 0 HIADHL CC[C@@H]1C[C@H](C)CN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436589049 861861458 /nfs/dbraw/zinc/86/14/58/861861458.db2.gz OHGWGMFOPOXDGR-XJKSGUPXSA-N -2 3 422.934 4.107 20 0 HIADHL CC(=O)c1ccc([O-])c(NC(=O)c2c[n-]c3ccc(Oc4ccccc4)cc3c2=O)c1 ZINC000436878840 862056385 /nfs/dbraw/zinc/05/63/85/862056385.db2.gz DVRQWXWZUBONJD-UHFFFAOYSA-N -2 3 414.417 4.481 20 0 HIADHL O=C([N-]c1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1ncoc1-c1ccccc1Cl ZINC000436976122 862154295 /nfs/dbraw/zinc/15/42/95/862154295.db2.gz ATHJYSBSIZRFBQ-UHFFFAOYSA-N -2 3 416.224 4.391 20 0 HIADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c1Br ZINC000322942350 855393173 /nfs/dbraw/zinc/39/31/73/855393173.db2.gz MQRHVWAPYCQIDM-UHFFFAOYSA-N -2 3 422.659 4.049 20 0 HIADHL Cc1ccc([O-])c(C(=O)Nc2cc([O-])c(Br)cc2Br)c1 ZINC000431448817 858621953 /nfs/dbraw/zinc/62/19/53/858621953.db2.gz XODDHNFCGJNUMK-UHFFFAOYSA-N -2 3 401.054 4.184 20 0 HIADHL COc1cc(S(=O)(=O)[N-]c2cc(Cl)c(C)cc2Cl)c(Cl)cc1C(=O)[O-] ZINC000443467108 868055982 /nfs/dbraw/zinc/05/59/82/868055982.db2.gz QSVJNKOAPOJKSZ-UHFFFAOYSA-N -2 3 424.689 4.463 20 0 HIADHL CCCOc1c(Cl)cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1OCC ZINC000504742063 913481591 /nfs/dbraw/zinc/48/15/91/913481591.db2.gz OIDQCLKGHJGMEL-SREVYHEPSA-N -2 3 406.866 4.129 20 0 HIADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccccc3)c2)c(C)c1C(=O)[O-] ZINC000512768288 921304044 /nfs/dbraw/zinc/30/40/44/921304044.db2.gz YVGQLBMFTUDRSG-UHFFFAOYSA-N -2 3 424.478 4.055 20 0 HIADHL Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3C)c2)oc1C ZINC000512795101 921312689 /nfs/dbraw/zinc/31/26/89/921312689.db2.gz NZTVKTSTJLVSEI-UHFFFAOYSA-N -2 3 400.456 4.074 20 0 HIADHL Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(Cl)c1 ZINC000509621586 918269358 /nfs/dbraw/zinc/26/93/58/918269358.db2.gz QOVHZDJVVJZELK-UHFFFAOYSA-N -2 3 418.298 4.346 20 0 HIADHL CCCC1(C(=O)Nc2cc(S(=O)(=O)[N-]c3ccccc3OC)ccc2[O-])CCC1 ZINC000531581376 931108963 /nfs/dbraw/zinc/10/89/63/931108963.db2.gz RVQCSQWOBMSAIK-UHFFFAOYSA-N -2 3 418.515 4.111 20 0 HIADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(-n3ncc4ccccc43)cc2)cc1C(=O)[O-] ZINC000540501657 939279333 /nfs/dbraw/zinc/27/93/33/939279333.db2.gz SAXHBNVDUNDSGC-UHFFFAOYSA-N -2 3 421.478 4.087 20 0 HIADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)c(C)c1CC(=O)[O-] ZINC000541077996 939452785 /nfs/dbraw/zinc/45/27/85/939452785.db2.gz DFOXFQMXZYPOJC-UHFFFAOYSA-N -2 3 415.433 4.145 20 0 HIADHL Cc1cc(S(=O)(=O)[N-]c2cccc(C(C)(F)F)c2)ccc1OCCCC(=O)[O-] ZINC000436172122 861474246 /nfs/dbraw/zinc/47/42/46/861474246.db2.gz DTEBZTPWUZGTGC-UHFFFAOYSA-N -2 3 413.442 4.151 20 0 HIADHL COc1ccccc1Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1 ZINC000013278663 845911847 /nfs/dbraw/zinc/91/18/47/845911847.db2.gz VWZGSPSJFNOCLM-UHFFFAOYSA-N -2 3 413.451 4.295 20 0 HIADHL C[C@@H]1CCCCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436543944 861844568 /nfs/dbraw/zinc/84/45/68/861844568.db2.gz HNXPXRHJEPPMTM-CQSZACIVSA-N -2 3 422.934 4.251 20 0 HIADHL C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436561080 861852243 /nfs/dbraw/zinc/85/22/43/861852243.db2.gz HOZLBPVUJCVKBK-ZIAGYGMSSA-N -2 3 422.934 4.250 20 0 HIADHL Cc1ccc(NC(=O)c2ccc([O-])c(Cl)c2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000047119789 848987898 /nfs/dbraw/zinc/98/78/98/848987898.db2.gz VULFTYLDKJOOLS-UHFFFAOYSA-N -2 3 416.886 4.407 20 0 HIADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccc([O-])c(Cl)c3)cc2)cc1 ZINC000053850496 849767343 /nfs/dbraw/zinc/76/73/43/849767343.db2.gz BYZGGERUSAPSSL-UHFFFAOYSA-N -2 3 416.886 4.407 20 0 HIADHL Cc1ccc(C(=O)NCCC(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)c([O-])c1 ZINC000436899361 862075303 /nfs/dbraw/zinc/07/53/03/862075303.db2.gz DRRRRWDUSDOEAU-UHFFFAOYSA-N -2 3 417.676 4.125 20 0 HIADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cc1Cl ZINC000432685071 859293614 /nfs/dbraw/zinc/29/36/14/859293614.db2.gz MHYGEIQBSJDJSV-UHFFFAOYSA-N -2 3 423.796 4.175 20 0 HIADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1C(C)C ZINC000432692298 859297713 /nfs/dbraw/zinc/29/77/13/859297713.db2.gz HMWXFTWHMMOZRL-OAHLLOKOSA-N -2 3 405.516 4.191 20 0 HIADHL CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)c1 ZINC000446631654 870536857 /nfs/dbraw/zinc/53/68/57/870536857.db2.gz OCHXMLBFLCLMJK-UHFFFAOYSA-N -2 3 415.920 4.401 20 0 HIADHL Cc1ccc(-n2cc(C=Cc3nc(C)c(CC(=O)[O-])c(=O)[n-]3)c(C(C)(C)C)n2)cc1 ZINC000504729149 913465121 /nfs/dbraw/zinc/46/51/21/913465121.db2.gz ILSUZOAJAVPJGD-DHZHZOJOSA-N -2 3 406.486 4.080 20 0 HIADHL Cc1nc(C=Cc2cc(Br)cc(C(F)(F)F)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504729290 913465685 /nfs/dbraw/zinc/46/56/85/913465685.db2.gz IWVZOIIVTXRSMW-NSCUHMNNSA-N -2 3 417.181 4.069 20 0 HIADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2Oc2ccc(C)cc2)ccc1[O-] ZINC000480724668 896084463 /nfs/dbraw/zinc/08/44/63/896084463.db2.gz CGRLCXOARGNGMU-UHFFFAOYSA-N -2 3 412.467 4.252 20 0 HIADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccccc3S[C@@H](C)C(=O)[O-])c2)n1 ZINC000485633993 900887686 /nfs/dbraw/zinc/88/76/86/900887686.db2.gz FQVHMAQECXFJQN-ZDUSSCGKSA-N -2 3 423.494 4.229 20 0 HIADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)c(C)c1C(=O)[O-] ZINC000512785359 921311155 /nfs/dbraw/zinc/31/11/55/921311155.db2.gz HWBAKXVJSPXEBX-UHFFFAOYSA-N -2 3 401.406 4.297 20 0 HIADHL COc1c(Cl)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cc1Cl ZINC000509573027 918223533 /nfs/dbraw/zinc/22/35/33/918223533.db2.gz WGPWERQWEGHLHP-UHFFFAOYSA-N -2 3 404.271 4.118 20 0 HIADHL O=C([O-])CCCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1Cl ZINC000509629534 918274396 /nfs/dbraw/zinc/27/43/96/918274396.db2.gz VCVVVPYAMRKFLF-UHFFFAOYSA-N -2 3 422.261 4.177 20 0 HIADHL COc1ccc(-c2csc3[n-]c(COc4ccccc4C(=O)[O-])nc(=O)c23)cc1 ZINC000518727859 927458889 /nfs/dbraw/zinc/45/88/89/927458889.db2.gz HWORBNNIJSUJPW-UHFFFAOYSA-N -2 3 408.435 4.350 20 0 HIADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(F)cc3[O-])cc2)ccc1F ZINC000532622160 931556973 /nfs/dbraw/zinc/55/69/73/931556973.db2.gz FUHLUBZHUUFIDK-UHFFFAOYSA-N -2 3 418.421 4.032 20 0 HIADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c(C)c1 ZINC000533623132 931930503 /nfs/dbraw/zinc/93/05/03/931930503.db2.gz ROLJLFVOXYIWKJ-UHFFFAOYSA-N -2 3 417.405 4.302 20 0 HIADHL Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cccc([O-])c2F)ccc1F ZINC000535658041 933301824 /nfs/dbraw/zinc/30/18/24/933301824.db2.gz JHRLKMLGMUJJDD-UHFFFAOYSA-N -2 3 418.421 4.032 20 0 HIADHL O=C(Nc1c([O-])cccc1Cl)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000560822473 944345290 /nfs/dbraw/zinc/34/52/90/944345290.db2.gz RWVYHBGWRXJCJE-UHFFFAOYSA-N -2 3 408.888 4.160 20 0 HIADHL C[C@@H]1[C@@H](C)CCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436587855 861861510 /nfs/dbraw/zinc/86/15/10/861861510.db2.gz GIQRUWLJQOPAOM-UONOGXRCSA-N -2 3 422.934 4.107 20 0 HIADHL CC(C)Cc1noc(-c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])n1 ZINC000436892062 862068033 /nfs/dbraw/zinc/06/80/33/862068033.db2.gz KHCVEZHOQJZLTL-UHFFFAOYSA-N -2 3 407.879 4.095 20 0 HIADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2c(C)cc(Br)cc2C)c1C ZINC000323913086 855397596 /nfs/dbraw/zinc/39/75/96/855397596.db2.gz GKTPCOOBWKLAPC-UHFFFAOYSA-N -2 3 412.305 4.182 20 0 HIADHL COc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1 ZINC000324604656 855399947 /nfs/dbraw/zinc/39/99/47/855399947.db2.gz MRMKSPXIUAYBMJ-UHFFFAOYSA-N -2 3 410.662 4.154 20 0 HIADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cc(Br)c(Cl)c(C(=O)[O-])c2)c1 ZINC000391434077 855460120 /nfs/dbraw/zinc/46/01/20/855460120.db2.gz FIRANBAIKYLTLZ-UHFFFAOYSA-N -2 3 422.659 4.049 20 0 HIADHL O=C([O-])CCCCCCC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000403028215 855480619 /nfs/dbraw/zinc/48/06/19/855480619.db2.gz MRSAUOMBJGJQMM-UHFFFAOYSA-N -2 3 401.834 4.062 20 0 HIADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(Cl)c2)cc1C(=O)[O-] ZINC000443418040 868002551 /nfs/dbraw/zinc/00/25/51/868002551.db2.gz RIANTKUOWGKOSF-UHFFFAOYSA-N -2 3 423.796 4.089 20 0 HIADHL Cc1nc(COc2ccc(C=Cc3nc(C)c(CCC(=O)[O-])c(=O)[n-]3)cc2)cs1 ZINC000443446546 868032219 /nfs/dbraw/zinc/03/22/19/868032219.db2.gz UGVGWZFAQTYFBR-WEVVVXLNSA-N -2 3 411.483 4.022 20 0 HIADHL O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc([O-])c(-c2nc(-c3ccoc3)no2)c1 ZINC000445462931 869538245 /nfs/dbraw/zinc/53/82/45/869538245.db2.gz MSBWTYYHOPKKOW-UHFFFAOYSA-N -2 3 417.830 4.156 20 0 HIADHL Cc1cc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2C)cc(C(=O)[O-])c1C ZINC000473435037 888156699 /nfs/dbraw/zinc/15/66/99/888156699.db2.gz QNTOEGHISQKYRQ-UHFFFAOYSA-N -2 3 416.268 4.012 20 0 HIADHL Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)cc1C(=O)[O-] ZINC000479229789 894492171 /nfs/dbraw/zinc/49/21/71/894492171.db2.gz BSRJZBCMRUFXNT-UHFFFAOYSA-N -2 3 418.858 4.335 20 0 HIADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)ccc1OC(C)C ZINC000484950813 900318358 /nfs/dbraw/zinc/31/83/58/900318358.db2.gz FHCZSJULNFNZOY-UHFFFAOYSA-N -2 3 417.405 4.300 20 0 HIADHL CC[C@H](C)Sc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c(C)c1 ZINC000498433847 907900279 /nfs/dbraw/zinc/90/02/79/907900279.db2.gz OGFZVYCHLNAXNW-AWEZNQCLSA-N -2 3 409.529 4.150 20 0 HIADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccc(F)cc3[O-])c2)cc1F ZINC000531756364 931184004 /nfs/dbraw/zinc/18/40/04/931184004.db2.gz UNETYZJXURFKIS-UHFFFAOYSA-N -2 3 418.421 4.032 20 0 HIADHL CCC(CC)[C@H](C)C(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000535645068 933285584 /nfs/dbraw/zinc/28/55/84/933285584.db2.gz RNSKPFSNBLSNED-AWEZNQCLSA-N -2 3 420.531 4.212 20 0 HIADHL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000543163684 939982620 /nfs/dbraw/zinc/98/26/20/939982620.db2.gz NGERIAXFYCXVCA-GFCCVEGCSA-N -2 3 417.405 4.007 20 0 HIADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1ccccc1F ZINC000547922958 941079627 /nfs/dbraw/zinc/07/96/27/941079627.db2.gz ZAUMWJCVFCCFNM-OAHLLOKOSA-N -2 3 411.838 4.028 20 0 HIADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)ccc1OCC(F)(F)F ZINC000561964485 944877855 /nfs/dbraw/zinc/87/78/55/944877855.db2.gz SSDQGKIRYNYQTB-UHFFFAOYSA-N -2 3 417.405 4.052 20 0 HIADHL CCc1cc(=O)[n-]c(SCC(CSc2nc(CC)cc(=O)[n-]2)C(C)(C)C)n1 ZINC000436195535 861497119 /nfs/dbraw/zinc/49/71/19/861497119.db2.gz FJHSUNNQFLERGQ-UHFFFAOYSA-N -2 3 408.593 4.349 20 0 HIADHL O=C(Nc1ccc(NC(=O)c2cc(Cl)ccc2[O-])c(Cl)c1)c1cncc([O-])c1 ZINC000436662269 861886667 /nfs/dbraw/zinc/88/66/67/861886667.db2.gz YATNXHXVJAOTGU-UHFFFAOYSA-N -2 3 418.236 4.304 20 0 HIADHL O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc([O-])c(Cl)c1 ZINC000047119223 848986875 /nfs/dbraw/zinc/98/68/75/848986875.db2.gz OLCAVRIUIRMOMS-UHFFFAOYSA-N -2 3 402.859 4.099 20 0 HIADHL CCN(CCC1CC1)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436990178 862167428 /nfs/dbraw/zinc/16/74/28/862167428.db2.gz UGYMLLGIYGDRJB-UHFFFAOYSA-N -2 3 422.934 4.109 20 0 HIADHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c(C(=O)[O-])c1 ZINC000110283796 853084227 /nfs/dbraw/zinc/08/42/27/853084227.db2.gz HOBZGHOFLHEZMX-UHFFFAOYSA-N -2 3 405.806 4.057 20 0 HIADHL Cc1cccc([N-]S(=O)(=O)c2cc(Br)c(Cl)c(C(=O)[O-])c2)c1F ZINC000323798517 855396463 /nfs/dbraw/zinc/39/64/63/855396463.db2.gz KLHWKGPQAZFMBV-UHFFFAOYSA-N -2 3 422.659 4.049 20 0 HIADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2CC)cc1C(=O)[O-] ZINC000325381274 855402355 /nfs/dbraw/zinc/40/23/55/855402355.db2.gz NMRGJPAWAYDTCD-UHFFFAOYSA-N -2 3 412.305 4.073 20 0 HIADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c1Br ZINC000391413152 855460036 /nfs/dbraw/zinc/46/00/36/855460036.db2.gz QLIOOQKHPIWEAT-UHFFFAOYSA-N -2 3 422.659 4.049 20 0 HIADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)c(C)c2)cc1C(=O)[O-] ZINC000440833992 865947518 /nfs/dbraw/zinc/94/75/18/865947518.db2.gz UNTWKIAUHOPZSC-UHFFFAOYSA-N -2 3 412.467 4.244 20 0 HIADHL Cc1nn(-c2ccc(Cl)cc2)c(C)c1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000443441782 868027764 /nfs/dbraw/zinc/02/77/64/868027764.db2.gz KSFPIIOCZIMJRF-NTMALXAHSA-N -2 3 412.877 4.134 20 0 HIADHL Cc1nc(C=Cc2ccc(-n3cnc4ccccc43)cc2)[n-]c(=O)c1CCC(=O)[O-] ZINC000443458840 868047946 /nfs/dbraw/zinc/04/79/46/868047946.db2.gz XEPDFVYJZYYWKP-XYOKQWHBSA-N -2 3 400.438 4.017 20 0 HIADHL O=S(=O)([N-]c1ccccc1)c1ccc(-c2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445460924 869537367 /nfs/dbraw/zinc/53/73/67/869537367.db2.gz UNNBTCPJYDYQPI-UHFFFAOYSA-N -2 3 411.414 4.049 20 0 HIADHL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)c1 ZINC000462100614 875210113 /nfs/dbraw/zinc/21/01/13/875210113.db2.gz GITBMSIYRYNQSG-UHFFFAOYSA-N -2 3 403.500 4.074 20 0 HIADHL Cc1nc(C=Cc2cccc(NC(=O)c3ccccc3Cl)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000470236521 884563785 /nfs/dbraw/zinc/56/37/85/884563785.db2.gz JFHMLYDLXXRJIG-MDZDMXLPSA-N -2 3 423.856 4.194 20 0 HIADHL Cc1nc(C=Cc2cn(-c3ccccc3)nc2-c2cccs2)[n-]c(=O)c1CC(=O)[O-] ZINC000470239079 884567623 /nfs/dbraw/zinc/56/76/23/884567623.db2.gz XSPXQNJNURQSRA-KTKRTIGZSA-N -2 3 418.478 4.202 20 0 HIADHL Cc1cc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)cc(C(=O)[O-])c1C ZINC000471109731 885644513 /nfs/dbraw/zinc/64/45/13/885644513.db2.gz ZXHRGPXMEFNZTE-UHFFFAOYSA-N -2 3 401.406 4.297 20 0 HIADHL Cc1nc(C=Cc2ccc(Br)cc2C(F)(F)F)[n-]c(=O)c1CC(=O)[O-] ZINC000504712242 913446088 /nfs/dbraw/zinc/44/60/88/913446088.db2.gz NTOAIHOHJSLHDG-HYXAFXHYSA-N -2 3 417.181 4.069 20 0 HIADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](C)CC(C)(C)C)c1 ZINC000477610172 892698134 /nfs/dbraw/zinc/69/81/34/892698134.db2.gz PNYMGSTYANZUOA-AWEZNQCLSA-N -2 3 420.531 4.212 20 0 HIADHL Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1C(=O)[O-] ZINC000479253385 894519059 /nfs/dbraw/zinc/51/90/59/894519059.db2.gz CXGJREQQNFAALW-UHFFFAOYSA-N -2 3 422.659 4.049 20 0 HIADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC(F)(F)F)c(Cl)c1 ZINC000486100907 901288262 /nfs/dbraw/zinc/28/82/62/901288262.db2.gz NASSYGFWVBTEML-UHFFFAOYSA-N -2 3 409.769 4.046 20 0 HIADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(C(=O)[O-])c3)c2)cc1 ZINC000486188602 901373259 /nfs/dbraw/zinc/37/32/59/901373259.db2.gz MQTHQXKVVFPIBC-UHFFFAOYSA-N -2 3 424.478 4.055 20 0 HIADHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)c(C)c1C(=O)[O-] ZINC000512735225 921299016 /nfs/dbraw/zinc/29/90/16/921299016.db2.gz WSFLWFBIYMTBNV-UHFFFAOYSA-N -2 3 401.406 4.297 20 0 HIADHL Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000519032574 927709211 /nfs/dbraw/zinc/70/92/11/927709211.db2.gz RSAGVALVXHPTET-UHFFFAOYSA-N -2 3 400.438 4.034 20 0 HIADHL CCC(CC)[C@@H](C)C(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000535645069 933284627 /nfs/dbraw/zinc/28/46/27/933284627.db2.gz RNSKPFSNBLSNED-CQSZACIVSA-N -2 3 420.531 4.212 20 0 HIADHL CC(C)N(CC1CC1)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000538746936 938700223 /nfs/dbraw/zinc/70/02/23/938700223.db2.gz 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CCC1(CC)CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])C1 ZINC000436999208 862172524 /nfs/dbraw/zinc/17/25/24/862172524.db2.gz LZDSZUOAUFMQNF-UHFFFAOYSA-N -2 3 422.934 4.109 20 0 HIADHL Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Br)c1 ZINC000322989381 855393257 /nfs/dbraw/zinc/39/32/57/855393257.db2.gz YJAAQAWFHIMBLC-UHFFFAOYSA-N -2 3 418.696 4.218 20 0 HIADHL Cc1cc(S(=O)(=O)[N-]c2c(C)cc(Br)cc2C)cc(C(=O)[O-])c1F ZINC000325200845 855402195 /nfs/dbraw/zinc/40/21/95/855402195.db2.gz HPZICWCMNNGGOC-UHFFFAOYSA-N -2 3 416.268 4.012 20 0 HIADHL CC(C)(C)c1nc2ccc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3F)cc2s1 ZINC000427312126 856764474 /nfs/dbraw/zinc/76/44/74/856764474.db2.gz DRHOFCWLUBTPRK-UHFFFAOYSA-N -2 3 408.476 4.232 20 0 HIADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(F)(F)F)cc2)cc1C(=O)[O-] ZINC000432061506 858960119 /nfs/dbraw/zinc/96/01/19/858960119.db2.gz JJVMOZFBGITUTR-UHFFFAOYSA-N -2 3 417.405 4.034 20 0 HIADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Sc2ccncc2)cc1 ZINC000435135281 860658182 /nfs/dbraw/zinc/65/81/82/860658182.db2.gz NZTZMVNMTUSHCP-UHFFFAOYSA-N -2 3 400.481 4.040 20 0 HIADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)cc1C(=O)[O-] ZINC000440835322 865948496 /nfs/dbraw/zinc/94/84/96/865948496.db2.gz UDQCHJGWRSEEHF-UHFFFAOYSA-N -2 3 401.406 4.243 20 0 HIADHL CSc1cc(Br)ccc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000443438209 868022133 /nfs/dbraw/zinc/02/21/33/868022133.db2.gz DYWCVVZAFPAZHL-DAXSKMNVSA-N -2 3 409.305 4.163 20 0 HIADHL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(OC(F)F)cc1F ZINC000447276256 871168464 /nfs/dbraw/zinc/16/84/64/871168464.db2.gz ZJXOMAGHVBYCQF-UHFFFAOYSA-N -2 3 421.368 4.189 20 0 HIADHL Cc1nc(C=Cc2cn(-c3ccccc3)nc2-c2ccccc2)[n-]c(=O)c1CC(=O)[O-] ZINC000470262481 884608955 /nfs/dbraw/zinc/60/89/55/884608955.db2.gz BJMAZXMKNLDSIY-OUKQBFOZSA-N -2 3 412.449 4.141 20 0 HIADHL Cc1cc(S(=O)(=O)[N-]c2ccc(S[C@H](C)C(=O)[O-])cc2)ccc1OC(C)C ZINC000504658563 913398976 /nfs/dbraw/zinc/39/89/76/913398976.db2.gz WYHOZANUHBJGOC-CQSZACIVSA-N 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O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(NCc3ccccc3)c(Cl)c2)c1 ZINC000561816017 944809377 /nfs/dbraw/zinc/80/93/77/944809377.db2.gz COWKGHUZVAUBGA-UHFFFAOYSA-N -2 3 416.886 4.451 20 0 HIADHL CN(C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])c1ccccc1 ZINC000436758074 861943775 /nfs/dbraw/zinc/94/37/75/861943775.db2.gz XMFBCBPMHQDUFH-UHFFFAOYSA-N -2 3 416.886 4.123 20 0 HIADHL O=C([O-])c1nc(/C=C\c2ccc([O-])c(Br)c2)sc1Br ZINC000436935701 862115320 /nfs/dbraw/zinc/11/53/20/862115320.db2.gz XANWVVVQZRLPGQ-RQOWECAXSA-N -2 3 405.067 4.242 20 0 HIADHL C[C@@H](c1noc(-c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])n1)C1CC1 ZINC000436954292 862134091 /nfs/dbraw/zinc/13/40/91/862134091.db2.gz VFFXJRAYVRTJPX-LLVKDONJSA-N -2 3 419.890 4.410 20 0 HIADHL CC[C@H]1[C@@H](C)CCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436957380 862138890 /nfs/dbraw/zinc/13/88/90/862138890.db2.gz XGQLFKZXNQVZCZ-UGSOOPFHSA-N -2 3 422.934 4.107 20 0 HIADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)c2)n1 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DUDCNQHLMSNEJZ-UHFFFAOYSA-N -2 3 410.662 4.154 20 0 HIADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC2CCCC2)ccc1[O-] ZINC000488986838 903106689 /nfs/dbraw/zinc/10/66/89/903106689.db2.gz SJOIBXYIZCAZTH-UHFFFAOYSA-N -2 3 424.906 4.126 20 0 HIADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)c(C)c2)c(C)c1C(=O)[O-] ZINC000512795679 921312593 /nfs/dbraw/zinc/31/25/93/921312593.db2.gz XXVPHUCWHAAXTD-UHFFFAOYSA-N -2 3 412.467 4.298 20 0 HIADHL CC[C@@H](C)Sc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c(C)c1 ZINC000498433848 907899937 /nfs/dbraw/zinc/89/99/37/907899937.db2.gz OGFZVYCHLNAXNW-CQSZACIVSA-N -2 3 409.529 4.150 20 0 HIADHL CC[C@H](C)Sc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)c(C)c1 ZINC000498434898 907900619 /nfs/dbraw/zinc/90/06/19/907900619.db2.gz SSTJYAXOSSOEFM-ZDUSSCGKSA-N -2 3 409.529 4.393 20 0 HIADHL CC[C@H](C)Sc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)c(C)c1 ZINC000500293255 909761853 /nfs/dbraw/zinc/76/18/53/909761853.db2.gz WGNRBJFUQIIRJV-HNNXBMFYSA-N -2 3 423.556 4.458 20 0 HIADHL Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3ccc(Cl)cn3)cc2)ccc1C(=O)[O-] ZINC000507947660 916810409 /nfs/dbraw/zinc/81/04/09/916810409.db2.gz FCUHBBFNBFWDIL-UHFFFAOYSA-N -2 3 418.858 4.335 20 0 HIADHL Cc1cccc(COc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)c(C)c2)c1 ZINC000519236685 927840923 /nfs/dbraw/zinc/84/09/23/927840923.db2.gz PEILSSOWIGOLPP-UHFFFAOYSA-N -2 3 411.479 4.381 20 0 HIADHL Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000535414750 933124123 /nfs/dbraw/zinc/12/41/23/933124123.db2.gz CYUMVHNRUXHSPV-UHFFFAOYSA-N -2 3 414.687 4.162 20 0 HIADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Oc3ccccc3OC)c(F)c2)c1 ZINC000538298033 938586461 /nfs/dbraw/zinc/58/64/61/938586461.db2.gz DAAXEISORAWNJO-UHFFFAOYSA-N -2 3 419.430 4.142 20 0 HIADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Sc3nc(C)cs3)cc2C)c1 ZINC000539398744 938854748 /nfs/dbraw/zinc/85/47/48/938854748.db2.gz PRENHPHSTIUCOU-UHFFFAOYSA-N -2 3 422.553 4.426 20 0 HIADHL COc1ccc(/C=C(\CC(=O)[O-])c2nc3ccccc3o2)c(Br)c1[O-] ZINC000545501703 940572236 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Cc1nn(-c2ccc(Cl)cc2)c(C)c1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000443441780 868028208 /nfs/dbraw/zinc/02/82/08/868028208.db2.gz KSFPIIOCZIMJRF-CSKARUKUSA-N -2 3 412.877 4.134 20 0 HIADHL CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)c1 ZINC000448551352 872559874 /nfs/dbraw/zinc/55/98/74/872559874.db2.gz KGDCCKALFCDGLA-OAHLLOKOSA-N -2 3 405.516 4.217 20 0 HIADHL Cc1cc(S(=O)(=O)[N-]c2cccc(CSC(C)C)c2C)ccc1OCC(=O)[O-] ZINC000460819903 873702502 /nfs/dbraw/zinc/70/25/02/873702502.db2.gz KXZWNBVDMJXEHN-UHFFFAOYSA-N -2 3 423.556 4.209 20 0 HIADHL Cc1nc(C=Cc2ccc(Br)cc2C(F)(F)F)[n-]c(=O)c1CC(=O)[O-] ZINC000504712241 913445730 /nfs/dbraw/zinc/44/57/30/913445730.db2.gz NTOAIHOHJSLHDG-HWKANZROSA-N -2 3 417.181 4.069 20 0 HIADHL CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000475828945 890763013 /nfs/dbraw/zinc/76/30/13/890763013.db2.gz GXIURZTYAJMARE-UHFFFAOYSA-N -2 3 402.255 4.085 20 0 HIADHL Cc1c(C(=O)[O-])cc(Br)cc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000476244528 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4.003 20 0 HIADHL O=S(=O)([N-]c1ccc(-c2nc(-c3ccc([O-])cc3F)no2)cc1)c1ccccc1 ZINC000445460516 869537174 /nfs/dbraw/zinc/53/71/74/869537174.db2.gz AZIFKYJYIMFUBJ-UHFFFAOYSA-N -2 3 411.414 4.049 20 0 HIADHL Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)cc1C(=O)[O-] ZINC000479229243 894490386 /nfs/dbraw/zinc/49/03/86/894490386.db2.gz AKCRCYRRQSPFNJ-UHFFFAOYSA-N -2 3 418.858 4.335 20 0 HIADHL Cc1cc(S(=O)(=O)[N-]c2ccc(-c3ccc[nH]3)cc2)ccc1OCCCC(=O)[O-] ZINC000484108845 899734517 /nfs/dbraw/zinc/73/45/17/899734517.db2.gz BLTSKQNBLPKLAQ-UHFFFAOYSA-N -2 3 414.483 4.035 20 0 HIADHL COc1ccccc1-c1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c1 ZINC000512763081 921303329 /nfs/dbraw/zinc/30/33/29/921303329.db2.gz YBTCBUNKTWGHSQ-UHFFFAOYSA-N -2 3 411.479 4.478 20 0 HIADHL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(F)cccc1NC(C)C ZINC000498016916 907510592 /nfs/dbraw/zinc/51/05/92/907510592.db2.gz UYEOSGUVYHSAAN-UHFFFAOYSA-N -2 3 400.859 4.107 20 0 HIADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Sc3nc(C)cs3)cc2)c1 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O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3ccc(Oc4ccncc4)cc3)c1)CCCC2 ZINC000065079715 852057795 /nfs/dbraw/zinc/05/77/95/852057795.db2.gz SHFNZJCAVCSXBB-UHFFFAOYSA-N -2 3 424.478 4.252 20 0 HIADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c(F)cc1Br ZINC000323311839 855395719 /nfs/dbraw/zinc/39/57/19/855395719.db2.gz FZDRNILMSGXSKH-UHFFFAOYSA-N -2 3 422.659 4.049 20 0 HIADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)cc1Cl ZINC000440307126 865568580 /nfs/dbraw/zinc/56/85/80/865568580.db2.gz SMVBEMARIVCDDA-UHFFFAOYSA-N -2 3 407.797 4.334 20 0 HIADHL O=S(=O)([N-]c1ccccc1)c1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000445478775 869551920 /nfs/dbraw/zinc/55/19/20/869551920.db2.gz IAOUZDIIOFKZRM-UHFFFAOYSA-N -2 3 411.414 4.049 20 0 HIADHL CCC[C@@](C)(CC)C(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000476553925 891472171 /nfs/dbraw/zinc/47/21/71/891472171.db2.gz WRWZDASNCHEVFJ-OAQYLSRUSA-N -2 3 420.531 4.357 20 0 HIADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cnn(-c3ccccc3Cl)c2C(C)C)c1 ZINC000480218597 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CC[C@H]1[C@H](C)CCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436957377 862139043 /nfs/dbraw/zinc/13/90/43/862139043.db2.gz XGQLFKZXNQVZCZ-ACJLOTCBSA-N -2 3 422.934 4.107 20 0 HIADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cc(F)c([O-])c(F)c3)cc2)cc1 ZINC000436965447 862145563 /nfs/dbraw/zinc/14/55/63/862145563.db2.gz RXKUGEHYTDPNDC-UHFFFAOYSA-N -2 3 418.421 4.032 20 0 HIADHL Cc1cc(Br)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1c(C)cc(F)cc1C ZINC000326627610 855411359 /nfs/dbraw/zinc/41/13/59/855411359.db2.gz PBFXROADYNHNQB-UHFFFAOYSA-N -2 3 416.268 4.012 20 0 HIADHL Cc1c(F)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)ccc1Br ZINC000432656167 859275905 /nfs/dbraw/zinc/27/59/05/859275905.db2.gz SZEXVRZZPUUYBG-UHFFFAOYSA-N -2 3 422.659 4.049 20 0 HIADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)cc1Cl ZINC000438765419 864260416 /nfs/dbraw/zinc/26/04/16/864260416.db2.gz OLWWDOOTYMZYEW-UHFFFAOYSA-N -2 3 404.831 4.026 20 0 HIADHL Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cccc(C(=O)CCC(=O)[O-])c2)c(C)c1C ZINC000439626337 864951310 /nfs/dbraw/zinc/95/13/10/864951310.db2.gz WKRFGDVSAFVSER-UHFFFAOYSA-N -2 3 403.500 4.077 20 0 HIADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)cc1C(=O)[O-] ZINC000440308447 865572622 /nfs/dbraw/zinc/57/26/22/865572622.db2.gz XABRCFHCOXJUBT-UHFFFAOYSA-N -2 3 401.406 4.297 20 0 HIADHL CCc1ccc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)cc1C(=O)[O-] ZINC000440804190 865923237 /nfs/dbraw/zinc/92/32/37/865923237.db2.gz HMSLGJBIYRHLOG-UHFFFAOYSA-N -2 3 401.406 4.243 20 0 HIADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)cc1C(=O)[O-] ZINC000441758271 866837908 /nfs/dbraw/zinc/83/79/08/866837908.db2.gz FCHVNKBYPSLPSL-UHFFFAOYSA-N -2 3 417.405 4.079 20 0 HIADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OCC(F)(F)F)c(Cl)c1 ZINC000443418203 868001832 /nfs/dbraw/zinc/00/18/32/868001832.db2.gz RXKAMAIPLSEKDW-UHFFFAOYSA-N -2 3 423.796 4.089 20 0 HIADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)c(C)c2)c(C)c1C(=O)[O-] ZINC000447259336 871138924 /nfs/dbraw/zinc/13/89/24/871138924.db2.gz VHYXACPSAOUCPP-UHFFFAOYSA-N -2 3 412.467 4.298 20 0 HIADHL Cc1nc(C=Cc2cccc(OCCCc3ccccc3)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504728662 913463362 /nfs/dbraw/zinc/46/33/62/913463362.db2.gz FXWUWPFRWHCPIM-SEYXRHQNSA-N -2 3 404.466 4.300 20 0 HIADHL Cc1ccc(-c2cccnc2)cc1[N-]S(=O)(=O)c1c(C)cc(C)c(CC(=O)[O-])c1C ZINC000475828843 890762486 /nfs/dbraw/zinc/76/24/86/890762486.db2.gz HOLPCQWEWCUEBB-UHFFFAOYSA-N -2 3 424.522 4.410 20 0 HIADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(COC(C)(C)C)c2C)cc1C(=O)[O-] ZINC000476384724 891299728 /nfs/dbraw/zinc/29/97/28/891299728.db2.gz FYQBTCCOQMLDCS-UHFFFAOYSA-N -2 3 421.515 4.208 20 0 HIADHL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)cc1C(=O)[O-] ZINC000479231805 894494287 /nfs/dbraw/zinc/49/42/87/894494287.db2.gz KJYDSRNPFUKYIS-UHFFFAOYSA-N -2 3 411.760 4.305 20 0 HIADHL Cc1cc(OCc2ccccc2)ccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000481947162 897334266 /nfs/dbraw/zinc/33/42/66/897334266.db2.gz MNWNSNIWSSQUTJ-UHFFFAOYSA-N -2 3 411.479 4.002 20 0 HIADHL O=C(Nc1cccc([O-])c1F)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000534209292 932332381 /nfs/dbraw/zinc/33/23/81/932332381.db2.gz LLYUYOMPAUGINZ-UHFFFAOYSA-N -2 3 420.849 4.238 20 0 HIADHL Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1c(C)cc(C)c(CC(=O)[O-])c1C ZINC000542943768 939883136 /nfs/dbraw/zinc/88/31/36/939883136.db2.gz XEUGDJOKTPVZOT-UHFFFAOYSA-N -2 3 414.483 4.003 20 0 HIADHL C[C@@H]1C[C@@H]1c1noc(-c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])n1 ZINC000545774664 940584987 /nfs/dbraw/zinc/58/49/87/940584987.db2.gz LBSAXMXLBSZJSK-YGRLFVJLSA-N -2 3 405.863 4.020 20 0 HIADHL Cc1nc(-c2ccc(NC(=O)N3C[C@@H](C4CCCCC4)C[C@@H]3C(=O)[O-])cc2)cc(=O)[n-]1 ZINC000569907119 947042961 /nfs/dbraw/zinc/04/29/61/947042961.db2.gz ITPZKBLXKIMPJY-FXAWDEMLSA-N -2 3 424.501 4.045 20 0 HIADHL O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc([O-])c(-c2nc(-c3ccco3)no2)c1 ZINC000436510318 861830093 /nfs/dbraw/zinc/83/00/93/861830093.db2.gz CQZYDSPZYVHAQJ-UHFFFAOYSA-N -2 3 417.830 4.156 20 0 HIADHL CN(CC1CCCC1)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436540745 861842213 /nfs/dbraw/zinc/84/22/13/861842213.db2.gz QLTNNBHPZHIRCL-UHFFFAOYSA-N -2 3 422.934 4.109 20 0 HIADHL C[C@@H]1CCC[C@H](C)N1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436561079 861852297 /nfs/dbraw/zinc/85/22/97/861852297.db2.gz HOZLBPVUJCVKBK-OKILXGFUSA-N -2 3 422.934 4.250 20 0 HIADHL C[C@H](N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])C1(C)CC1 ZINC000436582648 861859752 /nfs/dbraw/zinc/85/97/52/861859752.db2.gz FBKZHTDIRYTMDU-ZDUSSCGKSA-N -2 3 422.934 4.107 20 0 HIADHL C[C@@H]1CC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])C1 ZINC000436845831 862024015 /nfs/dbraw/zinc/02/40/15/862024015.db2.gz AHSQNPRRFBTFRV-CZUORRHYSA-N -2 3 422.934 4.107 20 0 HIADHL O=C([N-]c1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000436914665 862094401 /nfs/dbraw/zinc/09/44/01/862094401.db2.gz MDTKEHLMEDZVES-UHFFFAOYSA-N -2 3 416.224 4.391 20 0 HIADHL 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C[C@H]1CCCCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])C1 ZINC000436953958 862132773 /nfs/dbraw/zinc/13/27/73/862132773.db2.gz SZEMZDBFBBKFHT-AWEZNQCLSA-N -2 3 422.934 4.109 20 0 HIADHL Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)ccc1OCC(=O)[O-] ZINC000109766455 853011750 /nfs/dbraw/zinc/01/17/50/853011750.db2.gz XLPPQYSGBJYQHT-UHFFFAOYSA-N -2 3 413.451 4.052 20 0 HIADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c1Br ZINC000323342137 855395224 /nfs/dbraw/zinc/39/52/24/855395224.db2.gz YESFHEAKQXUKQJ-UHFFFAOYSA-N -2 3 422.659 4.049 20 0 HIADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(Cl)c2)cc1C(=O)[O-] ZINC000409869295 855697529 /nfs/dbraw/zinc/69/75/29/855697529.db2.gz HLIZDVCZCFLGGR-UHFFFAOYSA-N -2 3 409.891 4.469 20 0 HIADHL Cc1nc(C=Cc2ccc(-n3cnc4ccccc43)cc2)[n-]c(=O)c1CCC(=O)[O-] ZINC000443458839 868048733 /nfs/dbraw/zinc/04/87/33/868048733.db2.gz XEPDFVYJZYYWKP-WQLSENKSSA-N -2 3 400.438 4.017 20 0 HIADHL CCC[C@](C)(CC)C(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000476553924 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C[C@@H]1CC[C@H](C)N(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])C1 ZINC000436575138 861858060 /nfs/dbraw/zinc/85/80/60/861858060.db2.gz MXJYVJACJUPWGP-KGLIPLIRSA-N -2 3 422.934 4.107 20 0 HIADHL CCN(CC(C)(C)C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436680715 861892604 /nfs/dbraw/zinc/89/26/04/861892604.db2.gz OBGNCJCMSIVQGB-UHFFFAOYSA-N -2 3 424.950 4.355 20 0 HIADHL O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1ccc(Cl)cc1[O-] ZINC000436729882 861913102 /nfs/dbraw/zinc/91/31/02/861913102.db2.gz IIAMPQPKFRTYQE-UHFFFAOYSA-N -2 3 402.859 4.099 20 0 HIADHL C[C@H](c1noc(-c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])n1)C1CC1 ZINC000436954293 862133014 /nfs/dbraw/zinc/13/30/14/862133014.db2.gz VFFXJRAYVRTJPX-NSHDSACASA-N -2 3 419.890 4.410 20 0 HIADHL CC[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436978989 862156899 /nfs/dbraw/zinc/15/68/99/862156899.db2.gz IVRASOGVWXNABC-INIZCTEOSA-N -2 3 422.934 4.251 20 0 HIADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3F)cc2)cc1C(=O)[O-] ZINC000064478391 851909562 /nfs/dbraw/zinc/90/95/62/851909562.db2.gz SVDUCJLOIIPXEY-UHFFFAOYSA-N -2 3 415.442 4.212 20 0 HIADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(-n3cnc4ccccc43)cc2)cc1C(=O)[O-] ZINC000441379642 866450139 /nfs/dbraw/zinc/45/01/39/866450139.db2.gz FTEKULCXWWKBQF-UHFFFAOYSA-N -2 3 421.478 4.087 20 0 HIADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCCC(C)C)cc2)cc1C(=O)[O-] ZINC000467075651 880852268 /nfs/dbraw/zinc/85/22/68/880852268.db2.gz PILNLUIVSTWFCH-UHFFFAOYSA-N -2 3 407.488 4.009 20 0 HIADHL Cc1cc(S(=O)(=O)[N-]c2cccc(COC(C)(C)C)c2C)cc(C(=O)[O-])c1C ZINC000471119210 885654398 /nfs/dbraw/zinc/65/43/98/885654398.db2.gz PTHYVRAZSPLIDA-UHFFFAOYSA-N -2 3 405.516 4.426 20 0 HIADHL O=C([N-]c1nnc(-c2ccc(Cl)cc2F)s1)c1cc(F)c(F)c([O-])c1F ZINC000473395331 888109307 /nfs/dbraw/zinc/10/93/07/888109307.db2.gz LIJJECBOEDXMOO-UHFFFAOYSA-N -2 3 403.744 4.373 20 0 HIADHL O=C([N-]c1nnc(-c2c(F)cccc2Cl)s1)c1cc(F)c(F)c([O-])c1F ZINC000478786973 894063328 /nfs/dbraw/zinc/06/33/28/894063328.db2.gz ZWKDROIFGNLCDU-UHFFFAOYSA-N -2 3 403.744 4.373 20 0 HIADHL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1c(F)cccc1NC(C)C ZINC000498031605 907535034 /nfs/dbraw/zinc/53/50/34/907535034.db2.gz MPFGMRJPOQJIHR-UHFFFAOYSA-N -2 3 400.859 4.107 20 0 HIADHL Cc1ccc(-c2cncc(F)c2)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000509387458 918054566 /nfs/dbraw/zinc/05/45/66/918054566.db2.gz VHRJWRGFHGTNQT-UHFFFAOYSA-N -2 3 400.431 4.004 20 0 HIADHL COc1cc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2C(C)C)cc(C(=O)[O-])c1OC ZINC000515692239 923276709 /nfs/dbraw/zinc/27/67/09/923276709.db2.gz WNCLLLYQHZEKBJ-UHFFFAOYSA-N -2 3 421.515 4.450 20 0 HIADHL COc1ccccc1-c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000518421579 927258345 /nfs/dbraw/zinc/25/83/45/927258345.db2.gz KATZBVQJKAEOTF-UHFFFAOYSA-N -2 3 411.479 4.478 20 0 HIADHL Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(F)cc3[O-])cc2)c1C ZINC000531756332 931183960 /nfs/dbraw/zinc/18/39/60/931183960.db2.gz OSBWBARRFZJCNF-UHFFFAOYSA-N -2 3 414.458 4.201 20 0 HIADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)C)cc2C(C)C)cc1CC(=O)[O-] ZINC000539239481 938823521 /nfs/dbraw/zinc/82/35/21/938823521.db2.gz OQXYJNNYXMEZDL-UHFFFAOYSA-N -2 3 405.516 4.370 20 0 HIADHL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000543163686 939982388 /nfs/dbraw/zinc/98/23/88/939982388.db2.gz NGERIAXFYCXVCA-LBPRGKRZSA-N -2 3 417.405 4.007 20 0 HIADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000548235869 941092207 /nfs/dbraw/zinc/09/22/07/941092207.db2.gz NOWORHFYDPFMCR-HNNXBMFYSA-N -2 3 411.838 4.028 20 0 HIADHL CCSc1cccc(Br)c1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000571729241 947769661 /nfs/dbraw/zinc/76/96/61/947769661.db2.gz ZDQHUIIJFUGZBI-UHFFFAOYSA-N -2 3 422.347 4.122 20 0 HIADHL COc1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000013278656 845911767 /nfs/dbraw/zinc/91/17/67/845911767.db2.gz FRYKMVRFJQEAJS-UHFFFAOYSA-N -2 3 413.451 4.295 20 0 HIADHL CC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])C1 ZINC000436554882 861849720 /nfs/dbraw/zinc/84/97/20/861849720.db2.gz KGPAJQAMYDKKGZ-CQSZACIVSA-N -2 3 422.934 4.109 20 0 HIADHL CCC(CC)(CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1)C(=O)[O-] ZINC000055008676 849955079 /nfs/dbraw/zinc/95/50/79/849955079.db2.gz GOAMWAYRXIFBGB-UHFFFAOYSA-N -2 3 418.515 4.015 20 0 HIADHL O=C([N-]c1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1cc(-c2cccc(Cl)c2)no1 ZINC000436915786 862096188 /nfs/dbraw/zinc/09/61/88/862096188.db2.gz QELWVAGJKXIMMH-UHFFFAOYSA-N -2 3 416.224 4.391 20 0 HIADHL CC[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436978992 862156620 /nfs/dbraw/zinc/15/66/20/862156620.db2.gz IVRASOGVWXNABC-MRXNPFEDSA-N -2 3 422.934 4.251 20 0 HIADHL CCOc1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc(Br)c1[O-] ZINC000254710339 854213370 /nfs/dbraw/zinc/21/33/70/854213370.db2.gz CSUPLSJRVOZMDP-UHFFFAOYSA-N -2 3 413.655 4.351 20 0 HIADHL Cc1ccc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)cc1NC(=O)C(C)(C)C ZINC000471117796 885652881 /nfs/dbraw/zinc/65/28/81/885652881.db2.gz XINRELGHKJVFIX-UHFFFAOYSA-N -2 3 418.515 4.095 20 0 HIADHL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1F ZINC000479334973 894630105 /nfs/dbraw/zinc/63/01/05/894630105.db2.gz NQCGBNZMGTUMAD-UHFFFAOYSA-N -2 3 411.760 4.305 20 0 HIADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(COC3CCCC3)cc2)c(C)c1C(=O)[O-] ZINC000512780826 921309999 /nfs/dbraw/zinc/30/99/99/921309999.db2.gz HRXUUEKLTDYZRS-UHFFFAOYSA-N -2 3 403.500 4.262 20 0 HIADHL CC(C)c1ccc2nc(-c3ccc(I)c([O-])c3)[n-]c(=O)c2c1 ZINC000538431692 938618219 /nfs/dbraw/zinc/61/82/19/938618219.db2.gz PBQYBAXOBOJMAA-UHFFFAOYSA-N -2 3 406.223 4.436 20 0 HIADHL O=S(=O)(Cc1cc(-c2ccc(F)cc2)no1)[N-]c1cc(C(F)(F)F)ccc1[O-] ZINC000542235096 939769633 /nfs/dbraw/zinc/76/96/33/939769633.db2.gz AYGNFJKSROJHCY-UHFFFAOYSA-N -2 3 416.352 4.147 20 0 HIADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1ccccc1F ZINC000547922948 941079655 /nfs/dbraw/zinc/07/96/55/941079655.db2.gz ZAUMWJCVFCCFNM-HNNXBMFYSA-N -2 3 411.838 4.028 20 0 HIADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1Cl ZINC000547939330 941079812 /nfs/dbraw/zinc/07/98/12/941079812.db2.gz CSCSQWBMCVTLBZ-ABAIWWIYSA-N -2 3 402.299 4.042 20 0 HIADHL C[C@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])C(C)(C)C1 ZINC000436577301 861857475 /nfs/dbraw/zinc/85/74/75/861857475.db2.gz OCRKOFOAYJIQDX-CYBMUJFWSA-N -2 3 422.934 4.107 20 0 HIADHL C[C@H]1CC[C@H](C)N(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])C1 ZINC000436575135 861857909 /nfs/dbraw/zinc/85/79/09/861857909.db2.gz MXJYVJACJUPWGP-KBPBESRZSA-N -2 3 422.934 4.107 20 0 HIADHL Cc1c(Br)cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1C(=O)[O-] ZINC000321021628 855390411 /nfs/dbraw/zinc/39/04/11/855390411.db2.gz UYPULMODQPMWSX-UHFFFAOYSA-N -2 3 422.659 4.049 20 0 HIADHL Cc1c(Br)cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1C(=O)[O-] ZINC000320970273 855390463 /nfs/dbraw/zinc/39/04/63/855390463.db2.gz MTVGXHXQSVTHQK-UHFFFAOYSA-N -2 3 422.659 4.049 20 0 HIADHL O=C(Nc1cccc(NC(=O)c2c(F)ccc([O-])c2F)c1)c1c(F)ccc([O-])c1F ZINC000428267113 857133970 /nfs/dbraw/zinc/13/39/70/857133970.db2.gz MYGFCVMXROUBJK-UHFFFAOYSA-N -2 3 420.318 4.159 20 0 HIADHL Cc1nc(C=Cc2cn(-c3ccccc3)nc2C(C)(C)C)[n-]c(=O)c1CCC(=O)[O-] ZINC000443456816 868045343 /nfs/dbraw/zinc/04/53/43/868045343.db2.gz WSDCGBSRGLDESS-ZRDIBKRKSA-N -2 3 406.486 4.161 20 0 HIADHL Cc1nc(C=Cc2ccc(-c3cccc(Br)c3)o2)[n-]c(=O)c1CC(=O)[O-] ZINC000504721063 913456520 /nfs/dbraw/zinc/45/65/20/913456520.db2.gz NQAPFQQFIGTMAW-SOFGYWHQSA-N -2 3 415.243 4.311 20 0 HIADHL Cc1nc(C=Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504741145 913479429 /nfs/dbraw/zinc/47/94/29/913479429.db2.gz JLTNFPZPQGUWHA-YHYXMXQVSA-N -2 3 423.856 4.194 20 0 HIADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc3cc(Br)ccc3c2)c1 ZINC000479514637 894827294 /nfs/dbraw/zinc/82/72/94/894827294.db2.gz KRFRIDNGGZFDSU-UHFFFAOYSA-N -2 3 424.247 4.240 20 0 HIADHL Cc1ccc(NC(=O)C(C)(C)C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000481069191 896389520 /nfs/dbraw/zinc/38/95/20/896389520.db2.gz FBFHGGASWAIAGZ-UHFFFAOYSA-N -2 3 418.515 4.095 20 0 HIADHL CCc1ccc(S(=O)(=O)[N-]c2cc(Cc3ccccn3)ccc2C)cc1C(=O)[O-] ZINC000509391590 918057838 /nfs/dbraw/zinc/05/78/38/918057838.db2.gz ZPJCJSLVTLAJRT-UHFFFAOYSA-N -2 3 410.495 4.042 20 0 HIADHL O=C(Nc1cccc(Cl)c1[O-])c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000524501220 929648155 /nfs/dbraw/zinc/64/81/55/929648155.db2.gz XSPZEUBNQLCYTN-UHFFFAOYSA-N -2 3 420.849 4.238 20 0 HIADHL Cc1cc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)ccc1OC(C)C ZINC000525006904 929969188 /nfs/dbraw/zinc/96/91/88/929969188.db2.gz GRQPKQRODAQIAZ-UHFFFAOYSA-N -2 3 421.515 4.135 20 0 HIADHL O=C(Nc1cccc([O-])c1F)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000534209395 932332356 /nfs/dbraw/zinc/33/23/56/932332356.db2.gz RDCVBYWPFDPORJ-UHFFFAOYSA-N -2 3 420.849 4.238 20 0 HIADHL C[C@H]1C[C@@H]1c1noc(-c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])n1 ZINC000545774658 940585007 /nfs/dbraw/zinc/58/50/07/940585007.db2.gz LBSAXMXLBSZJSK-HZMBPMFUSA-N -2 3 405.863 4.020 20 0 HIADHL CCc1c(C)sc2nc(-c3ccc(I)c([O-])c3)[n-]c(=O)c12 ZINC000553974697 942011495 /nfs/dbraw/zinc/01/14/95/942011495.db2.gz WNGFIJBICVAGND-UHFFFAOYSA-N -2 3 412.252 4.245 20 0 HIADHL Cc1cc(OCc2cccc(F)c2)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000557359555 943086228 /nfs/dbraw/zinc/08/62/28/943086228.db2.gz DYMWLIKVLUXRBH-UHFFFAOYSA-N -2 3 415.442 4.212 20 0 HIADHL O=C([N-]c1nnc(-c2cccc(Br)c2)s1)c1c(F)ccc([O-])c1F ZINC000573249542 948122616 /nfs/dbraw/zinc/12/26/16/948122616.db2.gz ODXABSAKGKTSCK-UHFFFAOYSA-N -2 3 412.215 4.204 20 0 HIADHL O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc([O-])c(-c2nc(CCC3CC3)no2)c1 ZINC000436956932 862136599 /nfs/dbraw/zinc/13/65/99/862136599.db2.gz QGLLZAORFBRQQV-UHFFFAOYSA-N -2 3 419.890 4.239 20 0 HIADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000438779141 864273195 /nfs/dbraw/zinc/27/31/95/864273195.db2.gz STDVJMUWWKYFDI-UHFFFAOYSA-N -2 3 418.858 4.335 20 0 HIADHL Cc1cc(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)cc(C(=O)[O-])c1C ZINC000471114666 885650134 /nfs/dbraw/zinc/65/01/34/885650134.db2.gz SWQJPKVXIPUEOE-UHFFFAOYSA-N -2 3 401.406 4.297 20 0 HIADHL Cc1nc(C=Cc2ccc(-c3ccc(Br)cc3)o2)[n-]c(=O)c1CC(=O)[O-] ZINC000504720639 913456399 /nfs/dbraw/zinc/45/63/99/913456399.db2.gz KLILEDQDCONZRT-VQHVLOKHSA-N -2 3 415.243 4.311 20 0 HIADHL Cc1nc(C=Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)[n-]c(=O)c1CC(=O)[O-] ZINC000504728563 913462809 /nfs/dbraw/zinc/46/28/09/913462809.db2.gz DSZWRJUVAJBVKZ-VOTSOKGWSA-N -2 3 421.400 4.430 20 0 HIADHL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3ccc(Oc4ccccn4)cc3)c1)CCCC2 ZINC000505287030 913945998 /nfs/dbraw/zinc/94/59/98/913945998.db2.gz HFOXBPMRIKNDPQ-UHFFFAOYSA-N -2 3 424.478 4.252 20 0 HIADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cnn(-c3ccc(Cl)cc3)c2C(C)C)c1 ZINC000480200702 895598262 /nfs/dbraw/zinc/59/82/62/895598262.db2.gz NYPOGNSDJSCXEE-UHFFFAOYSA-N -2 3 421.906 4.164 20 0 HIADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2Oc2cccc(C)c2)ccc1[O-] ZINC000480739574 896100293 /nfs/dbraw/zinc/10/02/93/896100293.db2.gz TUAUZIBVWBTYDL-UHFFFAOYSA-N -2 3 412.467 4.252 20 0 HIADHL Cc1cccc(Oc2ccc([N-]S(=O)(=O)c3ccc(OCC(=O)[O-])cc3)cc2)c1 ZINC000512565748 921240521 /nfs/dbraw/zinc/24/05/21/921240521.db2.gz QDZJJDRVSRCTFC-UHFFFAOYSA-N -2 3 413.451 4.052 20 0 HIADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(COCc3ccco3)c2)c(C)c1C(=O)[O-] ZINC000512734221 921299103 /nfs/dbraw/zinc/29/91/03/921299103.db2.gz PVNAWXMUNALEOO-UHFFFAOYSA-N -2 3 415.467 4.112 20 0 HIADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Sc3ccncc3)cc2)c(C)c1C(=O)[O-] ZINC000512739454 921299791 /nfs/dbraw/zinc/29/97/91/921299791.db2.gz UFERBRLLCNNQFY-UHFFFAOYSA-N -2 3 414.508 4.349 20 0 HIADHL CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000498016900 907510909 /nfs/dbraw/zinc/51/09/09/907510909.db2.gz UPGAJVSLFSABIK-UHFFFAOYSA-N -2 3 420.384 4.164 20 0 HIADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCCC2)O3)cc1C(=O)[O-] ZINC000511130532 919746522 /nfs/dbraw/zinc/74/65/22/919746522.db2.gz MMWXTRWJRRYIQY-UHFFFAOYSA-N -2 3 417.483 4.234 20 0 HIADHL Cc1cccc(COc2ccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)c(C)c2)c1 ZINC000519235359 927840688 /nfs/dbraw/zinc/84/06/88/927840688.db2.gz MMTYZYHKFCAYKV-UHFFFAOYSA-N -2 3 411.479 4.381 20 0 HIADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC3CCC3)c(F)c2)c(C)c1CC(=O)[O-] ZINC000541077394 939452800 /nfs/dbraw/zinc/45/28/00/939452800.db2.gz RFVLKUIUOUGJJO-UHFFFAOYSA-N -2 3 421.490 4.110 20 0 HIADHL Cc1coc(-c2cccc([N-]S(=O)(=O)c3c(C)cc(C)c(CC(=O)[O-])c3C)c2)n1 ZINC000541083373 939453989 /nfs/dbraw/zinc/45/39/89/939453989.db2.gz KKUNAVRHDXXWNU-UHFFFAOYSA-N -2 3 414.483 4.003 20 0 HIADHL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)cc1 ZINC000543160305 939981226 /nfs/dbraw/zinc/98/12/26/939981226.db2.gz XAHQCUVHHXZLTH-CYBMUJFWSA-N -2 3 418.446 4.001 20 0 HIADHL CCOc1cc(C(=O)Nc2cc(C)cc(Br)c2[O-])cc(Cl)c1[O-] ZINC000547262173 941046853 /nfs/dbraw/zinc/04/68/53/941046853.db2.gz PCSNJJOOBUPCRL-UHFFFAOYSA-N -2 3 400.656 4.473 20 0 HIADHL CC[C@H](CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-])C(C)C ZINC000552214537 941604938 /nfs/dbraw/zinc/60/49/38/941604938.db2.gz USCJPMZMIXJPDH-OAHLLOKOSA-N -2 3 420.531 4.212 20 0 HIADHL Cc1nc(-c2ccc(NC(=O)N3C[C@@H](C4CCCCC4)C[C@H]3C(=O)[O-])cc2)cc(=O)[n-]1 ZINC000569907121 947043004 /nfs/dbraw/zinc/04/30/04/947043004.db2.gz ITPZKBLXKIMPJY-PXNSSMCTSA-N -2 3 424.501 4.045 20 0 HIADHL O=C(Nc1ccccc1)Nc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])c1 ZINC000555530101 452921780 /nfs/dbraw/zinc/92/17/80/452921780.db2.gz KOKTUUJOKBAXDI-UHFFFAOYSA-N -2 3 417.874 4.490 20 0 HIADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2Cl)c1 ZINC000436158064 861457408 /nfs/dbraw/zinc/45/74/08/861457408.db2.gz VOTYXNHUJCDMSO-UHFFFAOYSA-N -2 3 401.843 4.074 20 0 HIADHL CCC[C@H](C)N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436527742 861836260 /nfs/dbraw/zinc/83/62/60/861836260.db2.gz IYNMTBDFUWGOEQ-ZDUSSCGKSA-N -2 3 410.923 4.107 20 0 HIADHL CCC(C)(C)N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436530964 861838304 /nfs/dbraw/zinc/83/83/04/861838304.db2.gz RPPQXEIFYXJUIE-UHFFFAOYSA-N -2 3 410.923 4.107 20 0 HIADHL CC(C)[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436542941 861843290 /nfs/dbraw/zinc/84/32/90/861843290.db2.gz BWRRBLFGOHQWIR-SFHVURJKSA-N -2 3 422.934 4.107 20 0 HIADHL Cc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C#N)c3ccccc3)cc2)cc1C(=O)[O-] ZINC000032631299 848056390 /nfs/dbraw/zinc/05/63/90/848056390.db2.gz RGDDNRRPJRLKPG-OAQYLSRUSA-N -2 3 406.463 4.150 20 0 HIADHL CC[C@@H]1[C@H](C)CCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436957378 862138626 /nfs/dbraw/zinc/13/86/26/862138626.db2.gz XGQLFKZXNQVZCZ-FZKQIMNGSA-N -2 3 422.934 4.107 20 0 HIADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1cc(C(F)(F)F)ccc1Br ZINC000410383640 855965103 /nfs/dbraw/zinc/96/51/03/855965103.db2.gz RVSVLPFAHMJFGB-UHFFFAOYSA-N -2 3 414.174 4.113 20 0 HIADHL O=C([N-]c1nnc([C@@H]2CCCc3ccccc32)s1)c1cc(F)c(F)c([O-])c1F ZINC000432587982 859241435 /nfs/dbraw/zinc/24/14/35/859241435.db2.gz NKKDOMKDGPVJMH-LLVKDONJSA-N -2 3 405.401 4.382 20 0 HIADHL CC(C)(C)c1nc2ccc(S(=O)(=O)[N-]c3cc(C(=O)[O-])ccc3F)cc2s1 ZINC000438792402 864284204 /nfs/dbraw/zinc/28/42/04/864284204.db2.gz MPASSLCLZDRWLT-UHFFFAOYSA-N -2 3 408.476 4.232 20 0 HIADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)cc1C(F)(F)F ZINC000442247876 867287283 /nfs/dbraw/zinc/28/72/83/867287283.db2.gz XLVLILQLOOYGTD-UHFFFAOYSA-N -2 3 415.723 4.136 20 0 HIADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)c(C)c2)cc1C(=O)[O-] ZINC000447266190 871147499 /nfs/dbraw/zinc/14/74/99/871147499.db2.gz VOXRDECLGGQEOI-UHFFFAOYSA-N -2 3 412.467 4.244 20 0 HIADHL C=Cc1ccc(C(=O)Nc2cc(S(=O)(=O)[N-]c3ccccc3OC)ccc2[O-])cc1 ZINC000460297275 872887077 /nfs/dbraw/zinc/88/70/77/872887077.db2.gz LPOMJEAWVYPCKF-UHFFFAOYSA-N -2 3 424.478 4.097 20 0 HIADHL CCOc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)ccc1OCc1ccccc1 ZINC000470268627 884620354 /nfs/dbraw/zinc/62/03/54/884620354.db2.gz ZDPHMZLLWKUPHM-ZRDIBKRKSA-N -2 3 420.465 4.266 20 0 HIADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)cc(C(=O)[O-])c1C ZINC000471120908 885657268 /nfs/dbraw/zinc/65/72/68/885657268.db2.gz NPYXZXZYENMCDA-UHFFFAOYSA-N -2 3 405.806 4.057 20 0 HIADHL Cc1ccc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(OCC(=O)[O-])c(C)c3)c2)o1 ZINC000475832626 890766771 /nfs/dbraw/zinc/76/67/71/890766771.db2.gz WXAUQFWFAMADLG-UHFFFAOYSA-N -2 3 415.467 4.136 20 0 HIADHL Cc1coc2ccc([N-]S(=O)(=O)c3ccc(OCCCC(=O)[O-])c(C)c3)cc12 ZINC000479583868 894872412 /nfs/dbraw/zinc/87/24/12/894872412.db2.gz XMZQBTNIAITFEE-UHFFFAOYSA-N -2 3 403.456 4.094 20 0 HIADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OCc3cccc(F)c3)c(F)c2)cc1 ZINC000485099418 900409500 /nfs/dbraw/zinc/40/95/00/900409500.db2.gz CKTDJFKJKCVMFA-UHFFFAOYSA-N -2 3 419.405 4.043 20 0 HIADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccccc3S[C@H](C)C(=O)[O-])c2)n1 ZINC000485633991 900888097 /nfs/dbraw/zinc/88/80/97/900888097.db2.gz FQVHMAQECXFJQN-CYBMUJFWSA-N -2 3 423.494 4.229 20 0 HIADHL O=C(Nc1ccc([O-])c(Cl)c1)c1cncc(C(=O)Nc2ccc([O-])c(Cl)c2)c1 ZINC000486986806 902004120 /nfs/dbraw/zinc/00/41/20/902004120.db2.gz KYTKOBJVCXBUQJ-UHFFFAOYSA-N -2 3 418.236 4.304 20 0 HIADHL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccc4)[nH]c3c2)cc1 ZINC000491855972 904713115 /nfs/dbraw/zinc/71/31/15/904713115.db2.gz YWDKBYCMFJXPHY-UHFFFAOYSA-N -2 3 421.478 4.048 20 0 HIADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc(C(=O)[O-])cc3)c2)cc1 ZINC000500630941 909979960 /nfs/dbraw/zinc/97/99/60/909979960.db2.gz DXLSDVBJFMVUJZ-UHFFFAOYSA-N -2 3 424.478 4.055 20 0 HIADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(F)cc3[O-])cc2)cc1C ZINC000534703945 932675272 /nfs/dbraw/zinc/67/52/72/932675272.db2.gz CXSWOXQRQNMKMR-UHFFFAOYSA-N -2 3 414.458 4.201 20 0 HIADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc(Br)c3[O-])c2)n1 ZINC000537639505 938343570 /nfs/dbraw/zinc/34/35/70/938343570.db2.gz QGJWJXMEFLPYCI-UHFFFAOYSA-N -2 3 414.259 4.132 20 0 HIADHL O=C([N-]c1nnc(-c2cccc(OC(F)(F)F)c2)s1)c1c(F)ccc([O-])c1F ZINC000553307620 941864660 /nfs/dbraw/zinc/86/46/60/941864660.db2.gz YYCDUDXZTAKIJO-UHFFFAOYSA-N -2 3 417.315 4.340 20 0 HIADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3cc(Cl)ccc3F)c2)n1 ZINC000560005152 944126006 /nfs/dbraw/zinc/12/60/06/944126006.db2.gz BBZAPBCWERPZIO-UHFFFAOYSA-N -2 3 407.854 4.005 20 0 HIADHL Cc1nc(-c2ccc(NC(=O)N3C[C@H](C4CCCCC4)C[C@@H]3C(=O)[O-])cc2)cc(=O)[n-]1 ZINC000569907126 947043083 /nfs/dbraw/zinc/04/30/83/947043083.db2.gz ITPZKBLXKIMPJY-YLJYHZDGSA-N -2 3 424.501 4.045 20 0 HIADHL CCOc1cc(C=C(Cl)c2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc(Cl)c1[O-] ZINC000013351642 845915023 /nfs/dbraw/zinc/91/50/23/845915023.db2.gz RUDZJCMGQBQBHH-MLPAPPSSSA-N -2 3 421.236 4.116 20 0 HIADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1OCCC ZINC000028940505 847482008 /nfs/dbraw/zinc/48/20/08/847482008.db2.gz FLWRDUVJZNOVMK-UHFFFAOYSA-N -2 3 407.488 4.072 20 0 HIADHL O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cc(Cl)ccc1[O-] ZINC000436732188 861917969 /nfs/dbraw/zinc/91/79/69/861917969.db2.gz SOWVLPRWZXALHY-UHFFFAOYSA-N -2 3 402.859 4.099 20 0 HIADHL CC(C)c1ccc2nc(-c3ccc([O-])c(I)c3)[n-]c(=O)c2c1 ZINC000436751700 861935473 /nfs/dbraw/zinc/93/54/73/861935473.db2.gz NAZLGAGDYFKTPN-UHFFFAOYSA-N -2 3 406.223 4.436 20 0 HIADHL C[C@H](NC(=O)c1ccc([O-])cc1F)c1ccccc1NC(=O)c1ccc([O-])cc1F ZINC000436791478 861983998 /nfs/dbraw/zinc/98/39/98/861983998.db2.gz JQCQCZMAFCLINO-LBPRGKRZSA-N -2 3 412.392 4.119 20 0 HIADHL O=C(Nc1cccc(Cl)c1[O-])[C@H]1CCCN1C(=O)c1ccc2ccccc2c1[O-] ZINC000436870867 862047434 /nfs/dbraw/zinc/04/74/34/862047434.db2.gz GNKINMCXJUIFMT-GOSISDBHSA-N -2 3 410.857 4.148 20 0 HIADHL C[C@@H]1CCCCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])C1 ZINC000436953959 862134203 /nfs/dbraw/zinc/13/42/03/862134203.db2.gz SZEMZDBFBBKFHT-CQSZACIVSA-N -2 3 422.934 4.109 20 0 HIADHL COc1cc(C=Nn2c(-c3ccccc3F)n[n-]c2=S)cc(Br)c1[O-] ZINC000254382529 854210591 /nfs/dbraw/zinc/21/05/91/854210591.db2.gz DDHSMYXINOFXSY-UHFFFAOYSA-N -2 3 423.267 4.106 20 0 HIADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c(F)cc1Br ZINC000391945742 855462180 /nfs/dbraw/zinc/46/21/80/855462180.db2.gz DDHKSAHZNDJQRZ-UHFFFAOYSA-N -2 3 422.659 4.049 20 0 HIADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(-c3nc(C)co3)c2)cc1C(=O)[O-] ZINC000440826547 865942318 /nfs/dbraw/zinc/94/23/18/865942318.db2.gz NJPBMRJJSCXJND-UHFFFAOYSA-N -2 3 400.456 4.020 20 0 HIADHL CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCCC2)O3)cc1C(=O)[O-] ZINC000441382001 866454244 /nfs/dbraw/zinc/45/42/44/866454244.db2.gz IPUPFVZIBIVBKH-UHFFFAOYSA-N -2 3 417.483 4.180 20 0 HIADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(F)c2)cc1C(=O)[O-] ZINC000460834887 873723057 /nfs/dbraw/zinc/72/30/57/873723057.db2.gz XKZDUTHRXDRAGT-UHFFFAOYSA-N -2 3 407.463 4.263 20 0 HIADHL Cc1nc(C=Cc2cn(-c3ccccc3)nc2-c2ccccc2)[n-]c(=O)c1CC(=O)[O-] ZINC000470262482 884608552 /nfs/dbraw/zinc/60/85/52/884608552.db2.gz BJMAZXMKNLDSIY-SEYXRHQNSA-N -2 3 412.449 4.141 20 0 HIADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1ccc(Br)cc1C(F)(F)F ZINC000504285983 913139589 /nfs/dbraw/zinc/13/95/89/913139589.db2.gz ILKMTOFOXBHLAO-UHFFFAOYSA-N -2 3 414.174 4.113 20 0 HIADHL Cc1cc(F)c(Br)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000473435491 888156507 /nfs/dbraw/zinc/15/65/07/888156507.db2.gz SAFHBRNMLYKEMX-UHFFFAOYSA-N -2 3 416.268 4.012 20 0 HIADHL CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(S[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000504693891 913430434 /nfs/dbraw/zinc/43/04/34/913430434.db2.gz BUQXFTOTIKLFCG-AWEZNQCLSA-N -2 3 409.529 4.087 20 0 HIADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(S[C@@H](C)C(=O)[O-])cc2)cc1Cl ZINC000504703817 913439190 /nfs/dbraw/zinc/43/91/90/913439190.db2.gz QHWGDNWZFRVISV-NSHDSACASA-N -2 3 415.920 4.023 20 0 HIADHL Cc1nc(C=Cc2ccc(-c3cccc(Br)c3)o2)[n-]c(=O)c1CC(=O)[O-] ZINC000504721064 913456105 /nfs/dbraw/zinc/45/61/05/913456105.db2.gz NQAPFQQFIGTMAW-VURMDHGXSA-N -2 3 415.243 4.311 20 0 HIADHL CC[C@@H](C)Sc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)c(C)c1 ZINC000498434897 907899979 /nfs/dbraw/zinc/89/99/79/907899979.db2.gz SSTJYAXOSSOEFM-CYBMUJFWSA-N -2 3 409.529 4.393 20 0 HIADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)ccc1OCCCC(=O)[O-] ZINC000499502038 908819747 /nfs/dbraw/zinc/81/97/47/908819747.db2.gz IUTLKKQMHFDBAG-UHFFFAOYSA-N -2 3 407.463 4.056 20 0 HIADHL Cc1ccc(Cc2ccccn2)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000509392456 918057345 /nfs/dbraw/zinc/05/73/45/918057345.db2.gz QWPHEOHWQBCOIK-UHFFFAOYSA-N -2 3 410.495 4.097 20 0 HIADHL Cc1cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)ccc1Oc1cccnc1 ZINC000511108306 919716535 /nfs/dbraw/zinc/71/65/35/919716535.db2.gz MXXKBFGIJLITSY-UHFFFAOYSA-N -2 3 412.467 4.000 20 0 HIADHL Cc1nc(-c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)cc3C)c2)cs1 ZINC000515628255 923226942 /nfs/dbraw/zinc/22/69/42/923226942.db2.gz CJUDXKCYZHLPEA-UHFFFAOYSA-N -2 3 402.497 4.234 20 0 HIADHL CCSCc1cccc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)c1 ZINC000525012303 929973222 /nfs/dbraw/zinc/97/32/22/929973222.db2.gz AHRGDAWGGLJJQQ-UHFFFAOYSA-N -2 3 423.556 4.293 20 0 HIADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3cccc4ccc(C)nc43)c2)n1 ZINC000531008920 930883591 /nfs/dbraw/zinc/88/35/91/930883591.db2.gz QLDVATOMQHBIHT-UHFFFAOYSA-N -2 3 420.494 4.069 20 0 HIADHL CC[C@H](C)Sc1ccc([N-]S(=O)(=O)c2ccc(OC)c(CC(=O)[O-])c2)c(C)c1 ZINC000539239854 938823695 /nfs/dbraw/zinc/82/36/95/938823695.db2.gz WFBZBSLPFCKERM-AWEZNQCLSA-N -2 3 423.556 4.322 20 0 HIADHL Cc1sc2nc(-c3n[n-]c(-c4cccc(Br)c4)n3)[n-]c(=O)c2c1C ZINC000556415279 942860861 /nfs/dbraw/zinc/86/08/61/942860861.db2.gz ZPIATRBZOXLNFI-UHFFFAOYSA-N -2 3 402.277 4.228 20 0 HIADHL O=C([O-])Cc1ccccc1CS(=O)(=O)[N-]c1ccccc1Sc1ccccc1 ZINC000569537739 946889036 /nfs/dbraw/zinc/88/90/36/946889036.db2.gz SXDDKPVUQJXNNZ-UHFFFAOYSA-N -2 3 413.520 4.407 20 0 HIADHL CC(C)c1csc2nc(-c3ccc([O-])c(I)c3)[n-]c(=O)c21 ZINC000436752124 861935664 /nfs/dbraw/zinc/93/56/64/861935664.db2.gz PXKVJCZMYSWZMX-UHFFFAOYSA-N -2 3 412.252 4.498 20 0 HIADHL CCCN(CC1CC1)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436757243 861943828 /nfs/dbraw/zinc/94/38/28/861943828.db2.gz RQYNMFQBRPKKOA-UHFFFAOYSA-N -2 3 422.934 4.109 20 0 HIADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(COCc3ccco3)c2)cc1C(=O)[O-] ZINC000055633065 850084043 /nfs/dbraw/zinc/08/40/43/850084043.db2.gz WIYIIJAWKMZPQB-UHFFFAOYSA-N -2 3 415.467 4.112 20 0 HIADHL CCC(C)(C)OCc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)c1C ZINC000425983817 856030379 /nfs/dbraw/zinc/03/03/79/856030379.db2.gz XJNSEFBURIRMKL-UHFFFAOYSA-N -2 3 421.515 4.208 20 0 HIADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(=O)C(C)(C)C)c2)cc1C(=O)[O-] ZINC000440831251 865946650 /nfs/dbraw/zinc/94/66/50/865946650.db2.gz HXDYILOLVHAMQW-UHFFFAOYSA-N -2 3 418.515 4.041 20 0 HIADHL CSc1cc(Br)ccc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000443438210 868022009 /nfs/dbraw/zinc/02/20/09/868022009.db2.gz DYWCVVZAFPAZHL-QPJJXVBHSA-N -2 3 409.305 4.163 20 0 HIADHL Cc1cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)ccc1Oc1ccncc1 ZINC000447275615 871167766 /nfs/dbraw/zinc/16/77/66/871167766.db2.gz WFKJHOKOOWBJDG-UHFFFAOYSA-N -2 3 412.467 4.000 20 0 HIADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)cc1C(=O)[O-] ZINC000464837215 878100321 /nfs/dbraw/zinc/10/03/21/878100321.db2.gz UBODJLPERCYGQQ-UHFFFAOYSA-N -2 3 401.406 4.297 20 0 HIADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(NC(=O)c2ccccc2)c1C ZINC000466344585 880101686 /nfs/dbraw/zinc/10/16/86/880101686.db2.gz VUUZOIRTBLIPRJ-UHFFFAOYSA-N -2 3 424.478 4.055 20 0 HIADHL COc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)ccc1OCc1ccc(F)cc1 ZINC000470238465 884567788 /nfs/dbraw/zinc/56/77/88/884567788.db2.gz VMJSETHJVZLCDU-POHAHGRESA-N -2 3 424.428 4.015 20 0 HIADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3cc(C)c(F)cc3Cl)c2)n1 ZINC000471113686 885648534 /nfs/dbraw/zinc/64/85/34/885648534.db2.gz SENQDUDZUPNUCW-UHFFFAOYSA-N -2 3 421.881 4.313 20 0 HIADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(S[C@H](C)C(=O)[O-])cc2)cc1C(C)C ZINC000504674084 913413009 /nfs/dbraw/zinc/41/30/09/913413009.db2.gz VGTQFONIVGYZNC-CQSZACIVSA-N -2 3 423.556 4.493 20 0 HIADHL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2ccccn2)cc1 ZINC000505286982 913946490 /nfs/dbraw/zinc/94/64/90/913946490.db2.gz GRQBDZJRHOOGES-UHFFFAOYSA-N -2 3 412.467 4.496 20 0 HIADHL Cc1coc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3C)c2)n1 ZINC000512757252 921302447 /nfs/dbraw/zinc/30/24/47/921302447.db2.gz GYJYKRVYYIVIGN-UHFFFAOYSA-N -2 3 400.456 4.074 20 0 HIADHL COc1c(Cl)cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)cc1Cl ZINC000512776170 921309569 /nfs/dbraw/zinc/30/95/69/921309569.db2.gz JPSGOGXHIPZMMJ-UHFFFAOYSA-N -2 3 404.271 4.118 20 0 HIADHL O=c1cc(C(F)F)nc(SCCCCSc2nc(C(F)F)cc(=O)[n-]2)[n-]1 ZINC000519784621 928073607 /nfs/dbraw/zinc/07/36/07/928073607.db2.gz CKNZUYQVQOSXNQ-UHFFFAOYSA-N -2 3 410.418 4.218 20 0 HIADHL Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(OCC(=O)[O-])cc3)cc2)cc1 ZINC000520501330 928603723 /nfs/dbraw/zinc/60/37/23/928603723.db2.gz VSXGQRRNHFBQKH-UHFFFAOYSA-N -2 3 413.451 4.052 20 0 HIADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)[O-] ZINC000541078071 939452849 /nfs/dbraw/zinc/45/28/49/939452849.db2.gz GNECDZYYRUKERI-UHFFFAOYSA-N -2 3 401.406 4.059 20 0 HIADHL O=C(Nc1c([O-])cccc1Cl)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000560822048 944345643 /nfs/dbraw/zinc/34/56/43/944345643.db2.gz WOWFIVZWXCDFCW-UHFFFAOYSA-N -2 3 402.859 4.099 20 0 HIADHL CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000566613907 946056482 /nfs/dbraw/zinc/05/64/82/946056482.db2.gz WIENPXOJSLXTEZ-HXUWFJFHSA-N -2 3 420.469 4.227 20 0 HIADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)cc2)cc1Cl ZINC000570075202 947086536 /nfs/dbraw/zinc/08/65/36/947086536.db2.gz NFCQBTCXUOYQMB-UHFFFAOYSA-N -2 3 404.831 4.026 20 0 HIADHL Cc1nc(C=Cc2cc(C(F)(F)F)ccc2Br)[n-]c(=O)c1CC(=O)[O-] ZINC000572536539 947939252 /nfs/dbraw/zinc/93/92/52/947939252.db2.gz OQLUTQVBJAVDCW-GORDUTHDSA-N -2 3 417.181 4.069 20 0 HIADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)c1F ZINC000574218719 948389728 /nfs/dbraw/zinc/38/97/28/948389728.db2.gz 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CC[C@H]1CC[C@H](C)N1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436749193 861930371 /nfs/dbraw/zinc/93/03/71/861930371.db2.gz XWUMZDVNKZCZJT-BBRMVZONSA-N -2 3 422.934 4.250 20 0 HIADHL CCCCN(C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])C1CC1 ZINC000436760647 861950708 /nfs/dbraw/zinc/95/07/08/861950708.db2.gz RCIBKEAPJHRFKY-UHFFFAOYSA-N -2 3 422.934 4.251 20 0 HIADHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Br)c1Cl ZINC000323611088 855395810 /nfs/dbraw/zinc/39/58/10/855395810.db2.gz ADHAGXOYZYEMKQ-UHFFFAOYSA-N -2 3 418.696 4.218 20 0 HIADHL N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1 ZINC000325719310 855405492 /nfs/dbraw/zinc/40/54/92/855405492.db2.gz TYDRWXWYCMMABJ-UHFFFAOYSA-N -2 3 405.646 4.017 20 0 HIADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)cc1C(C)C ZINC000432692297 859297075 /nfs/dbraw/zinc/29/70/75/859297075.db2.gz HMWXFTWHMMOZRL-HNNXBMFYSA-N -2 3 405.516 4.191 20 0 HIADHL O=S(=O)([N-]c1cccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1)c1ccccc1 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HIADHL Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000568743359 946677154 /nfs/dbraw/zinc/67/71/54/946677154.db2.gz HVRZTTDIWDRSBA-UHFFFAOYSA-N -2 3 416.437 4.023 20 0 HIADHL COc1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000013278657 845912123 /nfs/dbraw/zinc/91/21/23/845912123.db2.gz WUZHPHNQCIZVOG-UHFFFAOYSA-N -2 3 417.414 4.126 20 0 HIADHL C=CCn1c(Cc2csc(NC(=O)c3cc4ccccc4cc3[O-])n2)n[n-]c1=S ZINC000030688444 847759404 /nfs/dbraw/zinc/75/94/04/847759404.db2.gz IOBQXDBPPVGNAV-UHFFFAOYSA-N -2 3 423.523 4.285 20 0 HIADHL CC1(C)CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])CC1 ZINC000436561159 861852595 /nfs/dbraw/zinc/85/25/95/861852595.db2.gz GUUMOWXZXDRXAL-UHFFFAOYSA-N -2 3 422.934 4.109 20 0 HIADHL C[C@H](C1CCC1)N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436705327 861898035 /nfs/dbraw/zinc/89/80/35/861898035.db2.gz MQJSFOCTORJITR-CYBMUJFWSA-N -2 3 422.934 4.107 20 0 HIADHL O=C([N-]c1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1cc(-c2cccc(Cl)c2)on1 ZINC000436915836 862096087 /nfs/dbraw/zinc/09/60/87/862096087.db2.gz SLOVPESINIFDHC-UHFFFAOYSA-N -2 3 416.224 4.391 20 0 HIADHL Cc1cc(C)c(S(=O)(=O)[N-]c2c(C)cc(Br)cc2C)cc1C(=O)[O-] ZINC000058519100 850844063 /nfs/dbraw/zinc/84/40/63/850844063.db2.gz RYODSECVRNSCJE-UHFFFAOYSA-N -2 3 412.305 4.182 20 0 HIADHL CCc1ccc(S(=O)(=O)[N-]c2c(C)cc(Br)cc2C)cc1C(=O)[O-] ZINC000325883667 855406285 /nfs/dbraw/zinc/40/62/85/855406285.db2.gz PBMNUDGVSOKLLB-UHFFFAOYSA-N -2 3 412.305 4.127 20 0 HIADHL CC(C)Oc1ccc(-c2ccc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)c(F)c2)cc1 ZINC000427290408 856755573 /nfs/dbraw/zinc/75/55/73/856755573.db2.gz ARUVAPWKBBMOMD-UHFFFAOYSA-N -2 3 418.446 4.107 20 0 HIADHL COc1ccc(Oc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C(=O)[O-])c3)cc2)cc1 ZINC000438711863 864194486 /nfs/dbraw/zinc/19/44/86/864194486.db2.gz GYVCLMRBOJADKB-UHFFFAOYSA-N -2 3 413.451 4.295 20 0 HIADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3cccc4ccccc43)c2)n1 ZINC000439569641 864892900 /nfs/dbraw/zinc/89/29/00/864892900.db2.gz LCYVOHIJLHIBCS-UHFFFAOYSA-N -2 3 405.479 4.366 20 0 HIADHL Cc1nc(C=Cc2c(OC(F)F)ccc3ccccc32)[n-]c(=O)c1CCC(=O)[O-] ZINC000443446576 868032854 /nfs/dbraw/zinc/03/28/54/868032854.db2.gz MOBSIHPTGZQBOD-YFHOEESVSA-N -2 3 400.381 4.433 20 0 HIADHL CCOc1ccc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)cc1C(=O)[O-] ZINC000464837498 878100810 /nfs/dbraw/zinc/10/08/10/878100810.db2.gz XMOBBFCMHZTEOI-UHFFFAOYSA-N -2 3 417.405 4.079 20 0 HIADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](C)CC(C)(C)C)c1 ZINC000477610173 892699488 /nfs/dbraw/zinc/69/94/88/892699488.db2.gz PNYMGSTYANZUOA-CQSZACIVSA-N -2 3 420.531 4.212 20 0 HIADHL Cc1ccc(-c2cncc(F)c2)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000507948740 916811762 /nfs/dbraw/zinc/81/17/62/916811762.db2.gz KPIXZCVUUCQUHP-UHFFFAOYSA-N -2 3 400.431 4.004 20 0 HIADHL Cc1ccc(-c2cncc(F)c2)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000509396067 918062318 /nfs/dbraw/zinc/06/23/18/918062318.db2.gz HBPFZWYVJHMYJD-UHFFFAOYSA-N -2 3 414.458 4.312 20 0 HIADHL CSCCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cc1 ZINC000533626150 931932775 /nfs/dbraw/zinc/93/27/75/931932775.db2.gz CXPOVVHMLUCTTR-UHFFFAOYSA-N -2 3 419.446 4.110 20 0 HIADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Br)cc2C(C)C)c1 ZINC000538296083 938585977 /nfs/dbraw/zinc/58/59/77/938585977.db2.gz JXLIXQMPUUEKIX-UHFFFAOYSA-N -2 3 400.294 4.088 20 0 HIADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2C)c(C)c1CC(=O)[O-] ZINC000543868546 940216864 /nfs/dbraw/zinc/21/68/64/940216864.db2.gz SIQHRRPPBITACC-UHFFFAOYSA-N -2 3 415.433 4.367 20 0 HIADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1cccc(Cl)c1 ZINC000547920134 941079690 /nfs/dbraw/zinc/07/96/90/941079690.db2.gz JBIAZGLZKSMQKS-SECBINFHSA-N -2 3 414.719 4.203 20 0 HIADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3cccc4c(C)ccnc43)c2)n1 ZINC000548283514 941093761 /nfs/dbraw/zinc/09/37/61/941093761.db2.gz PRKPFFGVIIOTNY-UHFFFAOYSA-N -2 3 420.494 4.069 20 0 HIADHL Cc1csc(Nc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)cc3C)c2)n1 ZINC000552362822 941645200 /nfs/dbraw/zinc/64/52/00/941645200.db2.gz NRNUHANLKAFNGE-UHFFFAOYSA-N -2 3 417.512 4.311 20 0 HIADHL C[C@H]1CCC[C@H](C)N1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436561078 861852726 /nfs/dbraw/zinc/85/27/26/861852726.db2.gz HOZLBPVUJCVKBK-KBPBESRZSA-N -2 3 422.934 4.250 20 0 HIADHL CC[C@]1(C)CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])C1 ZINC000436587544 861860533 /nfs/dbraw/zinc/86/05/33/861860533.db2.gz XBSZMOLJJVFGCY-HXUWFJFHSA-N -2 3 422.934 4.109 20 0 HIADHL Cc1ccc(C(=O)N[C@H](C)c2ccccc2[N-]S(=O)(=O)c2cccs2)c([O-])c1 ZINC000436604032 861866625 /nfs/dbraw/zinc/86/66/25/861866625.db2.gz IEKYPWYCDLLNFQ-CQSZACIVSA-N -2 3 416.524 4.054 20 0 HIADHL CCCC[C@@H](C)N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436671895 861889988 /nfs/dbraw/zinc/88/99/88/861889988.db2.gz WMVAFLLQVGXZIJ-CQSZACIVSA-N -2 3 424.950 4.497 20 0 HIADHL CN(C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])C1(C)CCCC1 ZINC000436738559 861922953 /nfs/dbraw/zinc/92/29/53/861922953.db2.gz LZVZDFHVXMEKMF-UHFFFAOYSA-N -2 3 422.934 4.251 20 0 HIADHL Cc1cccc(C(=O)Nc2cc([O-])c(Br)cc2Br)c1[O-] ZINC000436914095 862093534 /nfs/dbraw/zinc/09/35/34/862093534.db2.gz KLDIVPFSHVPDOS-UHFFFAOYSA-N -2 3 401.054 4.184 20 0 HIADHL CC[C@@H]1[C@@H](C)CCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436957379 862139123 /nfs/dbraw/zinc/13/91/23/862139123.db2.gz XGQLFKZXNQVZCZ-SCLBCKFNSA-N -2 3 422.934 4.107 20 0 HIADHL Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c(F)cc1Br ZINC000323608195 855395322 /nfs/dbraw/zinc/39/53/22/855395322.db2.gz JWZGQYSPIVDCGL-UHFFFAOYSA-N -2 3 422.659 4.049 20 0 HIADHL Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)c(C)c1OCC(=O)[O-] ZINC000410416117 855984316 /nfs/dbraw/zinc/98/43/16/855984316.db2.gz BWJYUZLJWAQOKK-UHFFFAOYSA-N -2 3 422.261 4.014 20 0 HIADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)c(C)c1CC(=O)[O-] ZINC000427307286 856762319 /nfs/dbraw/zinc/76/23/19/856762319.db2.gz HAZJOLKBNSHGNO-UHFFFAOYSA-N -2 3 414.483 4.003 20 0 HIADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c3c2)cc1C(C)C ZINC000432678905 859287863 /nfs/dbraw/zinc/28/78/63/859287863.db2.gz NRSIGUQMZHLJGQ-UHFFFAOYSA-N -2 3 402.472 4.107 20 0 HIADHL O=S(=O)([N-]c1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1)c1ccccc1 ZINC000445478891 869551262 /nfs/dbraw/zinc/55/12/62/869551262.db2.gz GINUMTGPVPXOEB-UHFFFAOYSA-N -2 3 411.414 4.049 20 0 HIADHL CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)c1 ZINC000448551351 872560644 /nfs/dbraw/zinc/56/06/44/872560644.db2.gz KGDCCKALFCDGLA-HNNXBMFYSA-N -2 3 405.516 4.217 20 0 HIADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(S[C@@H](C)C(=O)[O-])cc2)cc1C(C)C ZINC000504674083 913412858 /nfs/dbraw/zinc/41/28/58/913412858.db2.gz VGTQFONIVGYZNC-AWEZNQCLSA-N -2 3 423.556 4.493 20 0 HIADHL Cc1nc(C=Cc2cccc(OCCCc3ccccc3)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504728661 913463562 /nfs/dbraw/zinc/46/35/62/913463562.db2.gz FXWUWPFRWHCPIM-OUKQBFOZSA-N -2 3 404.466 4.300 20 0 HIADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3c(C)ccc4cccnc43)c2)n1 ZINC000476536264 891450573 /nfs/dbraw/zinc/45/05/73/891450573.db2.gz NRAPAOVSBJRELU-UHFFFAOYSA-N -2 3 420.494 4.069 20 0 HIADHL Cc1coc(-c2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)cc3C)ccc2C)n1 ZINC000477458931 892420819 /nfs/dbraw/zinc/42/08/19/892420819.db2.gz YDXFXMDITXVLEJ-UHFFFAOYSA-N -2 3 400.456 4.074 20 0 HIADHL COc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c(Cl)cc1C(=O)[O-] ZINC000485275381 900554901 /nfs/dbraw/zinc/55/49/01/900554901.db2.gz RZRSSGWVFQXNCK-UHFFFAOYSA-N -2 3 410.662 4.154 20 0 HIADHL Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3C)c2)cs1 ZINC000512739986 921299855 /nfs/dbraw/zinc/29/98/55/921299855.db2.gz XJZCMYNWMKKQTQ-UHFFFAOYSA-N -2 3 402.497 4.234 20 0 HIADHL COc1ccc(S(=O)(=O)[N-]c2cccc(COC3CCCCC3)c2)cc1C(=O)[O-] ZINC000519122164 927787516 /nfs/dbraw/zinc/78/75/16/927787516.db2.gz DPZYZTBGHIWVRW-UHFFFAOYSA-N -2 3 419.499 4.044 20 0 HIADHL Cc1nc2cc(Cl)c([N-]S(=O)(=O)c3cc(C(=O)[O-])sc3C)cc2s1 ZINC000527034960 930572666 /nfs/dbraw/zinc/57/26/66/930572666.db2.gz JWRKYJZFWAIMQK-UHFFFAOYSA-N -2 3 402.906 4.127 20 0 HIADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)C(C)(C)CC(C)C)c1 ZINC000530998870 930879784 /nfs/dbraw/zinc/87/97/84/930879784.db2.gz GLVKBJRVDKMGLS-UHFFFAOYSA-N -2 3 420.531 4.212 20 0 HIADHL Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000532837032 931648831 /nfs/dbraw/zinc/64/88/31/931648831.db2.gz JVQSSNNXEYEMIZ-UHFFFAOYSA-N -2 3 416.886 4.407 20 0 HIADHL Cc1cc(Cl)cc(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)c1[O-] ZINC000534703962 932675879 /nfs/dbraw/zinc/67/58/79/932675879.db2.gz FHUSNQHPJZMAHZ-UHFFFAOYSA-N -2 3 407.651 4.210 20 0 HIADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3cc(F)cc(Cl)c3)c2)n1 ZINC000535139614 932959538 /nfs/dbraw/zinc/95/95/38/932959538.db2.gz ZADJEGMOWYMQTP-UHFFFAOYSA-N -2 3 407.854 4.005 20 0 HIADHL Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1c(C)cc(C)c(CC(=O)[O-])c1C ZINC000542933883 939881350 /nfs/dbraw/zinc/88/13/50/939881350.db2.gz AOYDAVRXLKRIPW-UHFFFAOYSA-N -2 3 415.433 4.367 20 0 HIADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3nccs3)cc2)c(C)c1CC(=O)[O-] ZINC000542937021 939881830 /nfs/dbraw/zinc/88/18/30/939881830.db2.gz SLLVEBDYTFTCIV-UHFFFAOYSA-N -2 3 416.524 4.163 20 0 HIADHL C[C@@H]1CC[C@H](C)CN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436575141 861857771 /nfs/dbraw/zinc/85/77/71/861857771.db2.gz MXJYVJACJUPWGP-UONOGXRCSA-N -2 3 422.934 4.107 20 0 HIADHL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2ccncc2)cc1 ZINC000065079718 852057628 /nfs/dbraw/zinc/05/76/28/852057628.db2.gz YXDLOAUPDBWHSZ-UHFFFAOYSA-N -2 3 412.467 4.496 20 0 HIADHL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)c(N)c(Cl)c1 ZINC000071975232 852452392 /nfs/dbraw/zinc/45/23/92/852452392.db2.gz GESVGGHSRHILNJ-UHFFFAOYSA-N -2 3 403.287 4.198 20 0 HIADHL COc1cc(C=Nn2c(-c3ccc(F)cc3)n[n-]c2=S)cc(Br)c1[O-] ZINC000254826182 854214801 /nfs/dbraw/zinc/21/48/01/854214801.db2.gz YZROHNWJBUSBGB-UHFFFAOYSA-N -2 3 423.267 4.106 20 0 HIADHL Cc1nc(C=Cc2cn(Cc3ccccc3)nc2C(C)(C)C)[n-]c(=O)c1CCC(=O)[O-] ZINC000443443987 868029513 /nfs/dbraw/zinc/02/95/13/868029513.db2.gz OCCFFAVQVNUOEY-BENRWUELSA-N -2 3 420.513 4.221 20 0 HIADHL COc1cc(OC)cc(Oc2ccc(C=Cc3nc(C)c(CC(=O)[O-])c(=O)[n-]3)cc2)c1 ZINC000504728702 913463589 /nfs/dbraw/zinc/46/35/89/913463589.db2.gz GHSWYNXQQCDWAX-RMKNXTFCSA-N -2 3 422.437 4.098 20 0 HIADHL CCSc1cccc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)c1 ZINC000505286913 913946923 /nfs/dbraw/zinc/94/69/23/913946923.db2.gz FWEFIABJDXUNKK-UHFFFAOYSA-N -2 3 409.529 4.151 20 0 HIADHL CCC[C@H](C(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-])C(C)C ZINC000481202816 896556829 /nfs/dbraw/zinc/55/68/29/896556829.db2.gz ROJFDHZJMKXFOI-INIZCTEOSA-N -2 3 420.531 4.212 20 0 HIADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(F)ccc2Oc2ccccc2)ccc1[O-] ZINC000481584990 896964773 /nfs/dbraw/zinc/96/47/73/896964773.db2.gz GNTOLTACRIDDIT-UHFFFAOYSA-N -2 3 416.430 4.083 20 0 HIADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C)ccc2Oc2ccccc2)ccc1[O-] ZINC000481592939 896971641 /nfs/dbraw/zinc/97/16/41/896971641.db2.gz OLUDRZFNHGWGRL-UHFFFAOYSA-N -2 3 412.467 4.252 20 0 HIADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)ccc1Oc1cccnc1 ZINC000511687514 920349839 /nfs/dbraw/zinc/34/98/39/920349839.db2.gz MZKKRWBLJQQUBK-UHFFFAOYSA-N -2 3 424.478 4.170 20 0 HIADHL O=C(Nc1cccc(Cl)c1[O-])c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000524503441 929651164 /nfs/dbraw/zinc/65/11/64/929651164.db2.gz PYCPHRJDDUKUQV-UHFFFAOYSA-N -2 3 402.859 4.099 20 0 HIADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cccc(CSC3CCCC3)c2)cc1 ZINC000524853815 929859294 /nfs/dbraw/zinc/85/92/94/929859294.db2.gz LXLSKERIUDVBST-UHFFFAOYSA-N -2 3 421.540 4.127 20 0 HIADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OC(C)(C)C)cc2)ccc1OCCCC(=O)[O-] ZINC000525521471 930299016 /nfs/dbraw/zinc/29/90/16/930299016.db2.gz CKDAVJNJYQRERT-UHFFFAOYSA-N -2 3 421.515 4.217 20 0 HIADHL Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000533169791 931799392 /nfs/dbraw/zinc/79/93/92/931799392.db2.gz DETAQSOYEOVLKQ-UHFFFAOYSA-N -2 3 417.405 4.300 20 0 HIADHL O=C(Nc1cccc([O-])c1F)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000534946159 932851821 /nfs/dbraw/zinc/85/18/21/932851821.db2.gz MKNJLEAFGRIULS-UHFFFAOYSA-N -2 3 420.849 4.238 20 0 HIADHL O=C([N-]c1nnc(SCc2ccc(F)cc2)s1)c1cc(F)c(F)c([O-])c1F ZINC000541693143 939606198 /nfs/dbraw/zinc/60/61/98/939606198.db2.gz HKQSLEGZDGIZIE-UHFFFAOYSA-N -2 3 415.393 4.345 20 0 HIADHL Cc1cnc(-c2cccc([N-]S(=O)(=O)c3c(C)cc(C)c(CC(=O)[O-])c3C)c2)o1 ZINC000542938133 939882094 /nfs/dbraw/zinc/88/20/94/939882094.db2.gz KTRJKYWSIUXEJD-UHFFFAOYSA-N -2 3 414.483 4.003 20 0 HIADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)c2ccccc12 ZINC000547608492 941068724 /nfs/dbraw/zinc/06/87/24/941068724.db2.gz DURXHWQKVQSFQU-UHFFFAOYSA-N -2 3 407.394 4.016 20 0 HIADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1cccc(Cl)c1 ZINC000547920139 941079703 /nfs/dbraw/zinc/07/97/03/941079703.db2.gz JBIAZGLZKSMQKS-VIFPVBQESA-N -2 3 414.719 4.203 20 0 HIADHL O=c1nc(-c2ccc([O-])c(Cl)c2)[n-]c2cc(-c3ccc4c(c3)OCCO4)sc21 ZINC000436594695 861862093 /nfs/dbraw/zinc/86/20/93/861862093.db2.gz IKSFJOVCHWODEX-UHFFFAOYSA-N -2 3 412.854 4.449 20 0 HIADHL O=C(Nc1cc(F)ccc1[O-])c1cc(Br)c([O-])c(Br)c1 ZINC000436871513 862048727 /nfs/dbraw/zinc/04/87/27/862048727.db2.gz NTLCAMXCJCSOKB-UHFFFAOYSA-N -2 3 405.017 4.014 20 0 HIADHL CN(C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])C1CCCCC1 ZINC000436988513 862163923 /nfs/dbraw/zinc/16/39/23/862163923.db2.gz KIBYHVAXDQGUGV-UHFFFAOYSA-N -2 3 422.934 4.251 20 0 HIADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)ccc1OCC(F)(F)F ZINC000438779832 864274388 /nfs/dbraw/zinc/27/43/88/864274388.db2.gz PPMVKOHRBOITHK-UHFFFAOYSA-N -2 3 423.796 4.089 20 0 HIADHL Cc1nc2cc(Cl)c([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3Cl)cc2s1 ZINC000479294665 894576472 /nfs/dbraw/zinc/57/64/72/894576472.db2.gz ITUHUHQCCGUIND-UHFFFAOYSA-N -2 3 417.295 4.411 20 0 HIADHL Cc1cc(Br)c([O-])c(NC(=O)c2ccc(Br)c([O-])c2)c1 ZINC000483201998 898855939 /nfs/dbraw/zinc/85/59/39/898855939.db2.gz URSVAEGUKVFHDZ-UHFFFAOYSA-N -2 3 401.054 4.184 20 0 HIADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3csc4ccccc43)c2)n1 ZINC000506675199 915351128 /nfs/dbraw/zinc/35/11/28/915351128.db2.gz NIAYJAZDWOZGRJ-UHFFFAOYSA-N -2 3 411.508 4.427 20 0 HIADHL CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cc1 ZINC000533164914 931796443 /nfs/dbraw/zinc/79/64/43/931796443.db2.gz ULUMCNCUOZMXHM-UHFFFAOYSA-N -2 3 417.405 4.382 20 0 HIADHL C[C@@H]1C[C@H]1c1noc(-c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])n1 ZINC000545774662 940585032 /nfs/dbraw/zinc/58/50/32/940585032.db2.gz LBSAXMXLBSZJSK-QMTHXVAHSA-N -2 3 405.863 4.020 20 0 HIADHL C[C@H]1C[C@H]1c1noc(-c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])n1 ZINC000545774661 940585049 /nfs/dbraw/zinc/58/50/49/940585049.db2.gz LBSAXMXLBSZJSK-IINYFYTJSA-N -2 3 405.863 4.020 20 0 HIADHL COc1cc(C=C(Cl)c2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc(Cl)c1[O-] ZINC000013351635 845915028 /nfs/dbraw/zinc/91/50/28/845915028.db2.gz NIIYFFNTQLNNPB-XGICHPGQSA-N -2 3 407.209 4.138 20 0 HIADHL O=C(Nc1cc(F)cc(NC(=O)c2ccc([O-])cc2F)c1)c1ccc([O-])cc1F ZINC000436866533 862044075 /nfs/dbraw/zinc/04/40/75/862044075.db2.gz YYQOXLCDJHLTAI-UHFFFAOYSA-N -2 3 402.328 4.020 20 0 HIADHL CCOc1ccc(-c2n[n-]c(=S)n2N=Cc2cc(Br)ccc2[O-])cc1 ZINC000254876177 854216294 /nfs/dbraw/zinc/21/62/94/854216294.db2.gz KFLKTVNJBFCCJQ-UHFFFAOYSA-N -2 3 419.304 4.357 20 0 HIADHL O=C(Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)Nc1cc(Cl)ccc1[O-] ZINC000303059778 854742594 /nfs/dbraw/zinc/74/25/94/854742594.db2.gz XBVQAIASHUQWBM-UHFFFAOYSA-N -2 3 422.915 4.089 20 0 HIADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)cc1C(C)C ZINC000432688207 859295193 /nfs/dbraw/zinc/29/51/93/859295193.db2.gz UXQIKVGNYYEZMM-UHFFFAOYSA-N -2 3 405.516 4.290 20 0 HIADHL O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1cc([O-])ccc1Cl ZINC000433238351 859584222 /nfs/dbraw/zinc/58/42/22/859584222.db2.gz GDRKEHUPUAAJII-UHFFFAOYSA-N -2 3 402.859 4.099 20 0 HIADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)cc1C(=O)[O-] ZINC000440299623 865557432 /nfs/dbraw/zinc/55/74/32/865557432.db2.gz XIUVGAZHTAKPNG-UHFFFAOYSA-N -2 3 417.405 4.079 20 0 HIADHL CCc1ccc(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)cc1C(=O)[O-] ZINC000440830414 865944608 /nfs/dbraw/zinc/94/46/08/865944608.db2.gz GYSSKPUOCGNKON-UHFFFAOYSA-N -2 3 401.406 4.243 20 0 HIADHL Cc1ccc(-n2cc(C=Cc3nc(C)c(CCC(=O)[O-])c(=O)[n-]3)c(C(C)(C)C)n2)cc1 ZINC000443447463 868033707 /nfs/dbraw/zinc/03/37/07/868033707.db2.gz WIIJJXILKRDJLK-XYOKQWHBSA-N -2 3 420.513 4.470 20 0 HIADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(C(=O)Nc2ccccc2)c1C ZINC000466266990 880001310 /nfs/dbraw/zinc/00/13/10/880001310.db2.gz GRODSAVFACTJJT-UHFFFAOYSA-N -2 3 424.478 4.055 20 0 HIADHL Cc1coc(-c2ccc(C)c([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)cc3C)c2)n1 ZINC000470452210 884847284 /nfs/dbraw/zinc/84/72/84/884847284.db2.gz DDJQIIZXMBQWMA-UHFFFAOYSA-N -2 3 400.456 4.074 20 0 HIADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(COC(C)(C)C)c2C)cc1C(=O)[O-] ZINC000476433313 891346249 /nfs/dbraw/zinc/34/62/49/891346249.db2.gz LRQITNHEOUWLHA-UHFFFAOYSA-N -2 3 405.516 4.426 20 0 HIADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000477422258 892375473 /nfs/dbraw/zinc/37/54/73/892375473.db2.gz LXFVDQAXSCMLOC-UHFFFAOYSA-N -2 3 418.858 4.335 20 0 HIADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccccc3)c2)c(C)c1C(=O)[O-] ZINC000512776639 921309578 /nfs/dbraw/zinc/30/95/78/921309578.db2.gz RBPZONFGQQQVES-UHFFFAOYSA-N -2 3 409.463 4.033 20 0 HIADHL Cc1cc(S(=O)(=O)[N-]c2ccc(COCc3ccccc3)cc2)ccc1C(=O)[O-] ZINC000507886047 916728814 /nfs/dbraw/zinc/72/88/14/916728814.db2.gz FRSDTDOGIXMVGH-UHFFFAOYSA-N -2 3 411.479 4.211 20 0 HIADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)CCCC(C)(C)C)c1 ZINC000508295202 917103832 /nfs/dbraw/zinc/10/38/32/917103832.db2.gz HQCRLHDVKQFJMZ-UHFFFAOYSA-N -2 3 420.531 4.357 20 0 HIADHL Cc1ccc(-c2cncc(F)c2)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000509388826 918054383 /nfs/dbraw/zinc/05/43/83/918054383.db2.gz RNHMHISTLOLXGQ-UHFFFAOYSA-N -2 3 414.458 4.312 20 0 HIADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)ccc1Oc1cccnc1 ZINC000511688836 920351472 /nfs/dbraw/zinc/35/14/72/920351472.db2.gz STMZXMUDXYMRNF-UHFFFAOYSA-N -2 3 412.467 4.298 20 0 HIADHL COc1ccc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)c(Br)c1[O-] ZINC000546911449 940911006 /nfs/dbraw/zinc/91/10/06/940911006.db2.gz JIZLMPNMTJIRLU-UHFFFAOYSA-N -2 3 407.289 4.419 20 0 HIADHL Cc1ccc(C(=O)N[C@@H](C)c2ccccc2[N-]S(=O)(=O)c2cccs2)c([O-])c1 ZINC000436604031 861866428 /nfs/dbraw/zinc/86/64/28/861866428.db2.gz IEKYPWYCDLLNFQ-AWEZNQCLSA-N -2 3 416.524 4.054 20 0 HIADHL O=C(NC1CCCCC1)c1ccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)cc1[O-] ZINC000436782908 861975965 /nfs/dbraw/zinc/97/59/65/861975965.db2.gz ZTCOTNNRJKGMTE-UHFFFAOYSA-N -2 3 424.469 4.193 20 0 HIADHL COc1cc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)cc(Cl)c1[O-] ZINC000057547278 850666285 /nfs/dbraw/zinc/66/62/85/850666285.db2.gz COJKZPQKMBHEMV-AUWJEWJLSA-N -2 3 421.883 4.158 20 0 HIADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3F)cc2)ccc1F ZINC000064478404 851909453 /nfs/dbraw/zinc/90/94/53/851909453.db2.gz KEQXDIDYTOIUNP-UHFFFAOYSA-N -2 3 419.405 4.043 20 0 HIADHL Cc1nc(C=Cc2cn(Cc3ccccc3)nc2C(C)(C)C)[n-]c(=O)c1CCC(=O)[O-] ZINC000443443988 868029158 /nfs/dbraw/zinc/02/91/58/868029158.db2.gz OCCFFAVQVNUOEY-ZRDIBKRKSA-N -2 3 420.513 4.221 20 0 HIADHL O=C(c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])N1CCCC12CCC2 ZINC000444628607 868920179 /nfs/dbraw/zinc/92/01/79/868920179.db2.gz IQQDGVMJPSGGNO-UHFFFAOYSA-N -2 3 420.918 4.005 20 0 HIADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)ccc1Oc1ccncc1 ZINC000447266448 871148808 /nfs/dbraw/zinc/14/88/08/871148808.db2.gz WLCZUWMJUADNOD-UHFFFAOYSA-N -2 3 418.858 4.335 20 0 HIADHL Cc1nc(C=Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)[n-]c(=O)c1CC(=O)[O-] ZINC000504728562 913463582 /nfs/dbraw/zinc/46/35/82/913463582.db2.gz DSZWRJUVAJBVKZ-SREVYHEPSA-N -2 3 421.400 4.430 20 0 HIADHL Cc1ccc(-n2cc(C=Cc3nc(C)c(CC(=O)[O-])c(=O)[n-]3)c(C(C)(C)C)n2)cc1 ZINC000504729150 913464978 /nfs/dbraw/zinc/46/49/78/913464978.db2.gz ILSUZOAJAVPJGD-FLIBITNWSA-N -2 3 406.486 4.080 20 0 HIADHL Cc1nc(C=Cc2cc(Br)cc(C(F)(F)F)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504729289 913465428 /nfs/dbraw/zinc/46/54/28/913465428.db2.gz IWVZOIIVTXRSMW-IHWYPQMZSA-N -2 3 417.181 4.069 20 0 HIADHL COc1ccc(S(=O)(=O)[N-]c2cc(-c3ccc(C)o3)ccc2C)cc1C(=O)[O-] ZINC000475826359 890760569 /nfs/dbraw/zinc/76/05/69/890760569.db2.gz GTQKSTCTQXOCRK-UHFFFAOYSA-N -2 3 401.440 4.071 20 0 HIADHL Cc1c([N-]S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)cccc1C(=O)[O-] ZINC000476785590 891765308 /nfs/dbraw/zinc/76/53/08/891765308.db2.gz DSCABQCBNHHRNE-UHFFFAOYSA-N -2 3 403.500 4.453 20 0 HIADHL COc1c(C)cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)cc1C ZINC000485028377 900370791 /nfs/dbraw/zinc/37/07/91/900370791.db2.gz UPCVOVPMAMXZPV-UHFFFAOYSA-N -2 3 404.271 4.118 20 0 HIADHL Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)Nc2ccc(F)cc2[O-])c1 ZINC000488517548 902866233 /nfs/dbraw/zinc/86/62/33/902866233.db2.gz CWQTUCYRRMNNEL-UHFFFAOYSA-N -2 3 418.421 4.032 20 0 HIADHL Cc1coc(-c2cc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3C)ccc2C)n1 ZINC000512785964 921310910 /nfs/dbraw/zinc/31/09/10/921310910.db2.gz RPXMVWYFHJPPMK-UHFFFAOYSA-N -2 3 400.456 4.074 20 0 HIADHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)ccc1Cl ZINC000519200994 927824172 /nfs/dbraw/zinc/82/41/72/927824172.db2.gz XQJBEBDLEKYJSC-UHFFFAOYSA-N -2 3 417.870 4.418 20 0 HIADHL Cc1cc(Br)cc(C)c1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000519200755 927824541 /nfs/dbraw/zinc/82/45/41/927824541.db2.gz BYYWQKIGWCSVSF-UHFFFAOYSA-N -2 3 418.696 4.218 20 0 HIADHL Cc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000533159627 931793064 /nfs/dbraw/zinc/79/30/64/931793064.db2.gz MPTHSKYQLZUOJC-UHFFFAOYSA-N -2 3 422.915 4.469 20 0 HIADHL Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2cccc([O-])c2F)c1 ZINC000534944971 932851438 /nfs/dbraw/zinc/85/14/38/932851438.db2.gz PKBAAXMCXMVJPM-UHFFFAOYSA-N -2 3 414.458 4.201 20 0 HIADHL C[C@@H](N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])C(C)(C)C ZINC000538744915 938699601 /nfs/dbraw/zinc/69/96/01/938699601.db2.gz BLWHOVLKMVSUGC-CYBMUJFWSA-N -2 3 424.950 4.353 20 0 HIADHL O=C(Nc1cccc([O-])c1F)c1cc(Br)c([O-])c(Br)c1 ZINC000542818485 939861367 /nfs/dbraw/zinc/86/13/67/939861367.db2.gz YVFZZCTVCCXEMJ-UHFFFAOYSA-N -2 3 405.017 4.014 20 0 HIADHL Cc1cc(=O)[n-]c(-c2ccc([N-]S(=O)(=O)c3cc(C(C)C)ccc3Cl)cc2)n1 ZINC000551470755 941486801 /nfs/dbraw/zinc/48/68/01/941486801.db2.gz GHWJZPLHPJJYTG-UHFFFAOYSA-N -2 3 417.918 4.323 20 0 HIADHL CCC[C@@H](C)N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436527740 861836020 /nfs/dbraw/zinc/83/60/20/861836020.db2.gz IYNMTBDFUWGOEQ-CYBMUJFWSA-N -2 3 410.923 4.107 20 0 HIADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)cc1Cl ZINC000438771756 864266595 /nfs/dbraw/zinc/26/65/95/864266595.db2.gz LGQDRWSDXQFSAJ-UHFFFAOYSA-N -2 3 404.831 4.026 20 0 HIADHL Cc1nc(COc2ccc(C=Cc3nc(C)c(CCC(=O)[O-])c(=O)[n-]3)cc2)cs1 ZINC000443446544 868032807 /nfs/dbraw/zinc/03/28/07/868032807.db2.gz UGVGWZFAQTYFBR-UITAMQMPSA-N -2 3 411.483 4.022 20 0 HIADHL Cc1ccc(-n2cc(C=Cc3nc(C)c(CCC(=O)[O-])c(=O)[n-]3)c(C(C)(C)C)n2)cc1 ZINC000443447462 868034199 /nfs/dbraw/zinc/03/41/99/868034199.db2.gz WIIJJXILKRDJLK-WQLSENKSSA-N -2 3 420.513 4.470 20 0 HIADHL O=S(=O)([N-]c1cccc(-c2nc(-c3ccc([O-])cc3F)no2)c1)c1ccccc1 ZINC000445465669 869540662 /nfs/dbraw/zinc/54/06/62/869540662.db2.gz SFPGDEANGLNEKC-UHFFFAOYSA-N -2 3 411.414 4.049 20 0 HIADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3cc(F)ccc3Cl)c2)n1 ZINC000485453498 900747572 /nfs/dbraw/zinc/74/75/72/900747572.db2.gz QAGSBKRWHRZDCF-UHFFFAOYSA-N -2 3 407.854 4.005 20 0 HIADHL Cc1ccc(NC(=O)C(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000512771155 921304606 /nfs/dbraw/zinc/30/46/06/921304606.db2.gz JYAVPVKBMGQSHK-UHFFFAOYSA-N -2 3 418.515 4.095 20 0 HIADHL Cc1ccc(Cc2ccccn2)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000509397436 918064271 /nfs/dbraw/zinc/06/42/71/918064271.db2.gz UIELFLLOHPMMFI-UHFFFAOYSA-N -2 3 410.495 4.097 20 0 HIADHL O=C(Nc1ccc(F)cc1[O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000532620789 931556753 /nfs/dbraw/zinc/55/67/53/931556753.db2.gz VDUIKFIONLIIOL-UHFFFAOYSA-N -2 3 420.849 4.238 20 0 HIADHL O=C(Nc1ccc(Cl)cc1[O-])c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000533618964 931927467 /nfs/dbraw/zinc/92/74/67/931927467.db2.gz SKCSRWGAPALLAP-UHFFFAOYSA-N -2 3 402.859 4.099 20 0 HIADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cc1Cl ZINC000533628566 931934069 /nfs/dbraw/zinc/93/40/69/931934069.db2.gz AJWNWYUNHRMXBJ-UHFFFAOYSA-N -2 3 423.796 4.257 20 0 HIADHL CSc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)c1 ZINC000538298853 938586700 /nfs/dbraw/zinc/58/67/00/938586700.db2.gz SDQUSFGCRQAUGO-UHFFFAOYSA-N -2 3 409.529 4.070 20 0 HIADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1F ZINC000547613581 941068817 /nfs/dbraw/zinc/06/88/17/941068817.db2.gz BEZAIPBVVSHNGO-UHFFFAOYSA-N -2 3 415.723 4.136 20 0 HIADHL O=C([O-])c1ccc(Br)c([N-]S(=O)(=O)c2csc3ccccc32)c1 ZINC000560418300 944230780 /nfs/dbraw/zinc/23/07/80/944230780.db2.gz XALKYZUYYIGKMS-UHFFFAOYSA-N -2 3 412.286 4.163 20 0 HIADHL Cc1cc(OCc2ccccc2)ccc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC000574092958 948363458 /nfs/dbraw/zinc/36/34/58/948363458.db2.gz WRZMUYVAVXFEPN-UHFFFAOYSA-N -2 3 411.479 4.002 20 0 HIADHL COc1cc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c(C)c1C ZINC000575950019 948798077 /nfs/dbraw/zinc/79/80/77/948798077.db2.gz YAFUZDUDPVTYQN-UHFFFAOYSA-N -2 3 417.405 4.138 20 0 HIADHL C[C@H]1CC[C@H](N(C)C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])C1 ZINC000436845827 862022460 /nfs/dbraw/zinc/02/24/60/862022460.db2.gz AHSQNPRRFBTFRV-BBRMVZONSA-N -2 3 422.934 4.107 20 0 HIADHL C[C@@H]1CC[C@H](N(C)C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])C1 ZINC000436845829 862023250 /nfs/dbraw/zinc/02/32/50/862023250.db2.gz AHSQNPRRFBTFRV-CJNGLKHVSA-N -2 3 422.934 4.107 20 0 HIADHL Cc1ccc(C(=O)Nc2cc([O-])c(Br)cc2Br)c([O-])c1 ZINC000436916777 862099076 /nfs/dbraw/zinc/09/90/76/862099076.db2.gz XPQJKJCWYWSUPK-UHFFFAOYSA-N -2 3 401.054 4.184 20 0 HIADHL O=C(Nc1cc(Cl)ccc1[O-])c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000060093455 851039689 /nfs/dbraw/zinc/03/96/89/851039689.db2.gz KOGNWLLVERWZDD-UHFFFAOYSA-N -2 3 420.849 4.238 20 0 HIADHL N#Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c(Cl)c1 ZINC000325928252 855406492 /nfs/dbraw/zinc/40/64/92/855406492.db2.gz UJQMHZRHDLSZEG-UHFFFAOYSA-N -2 3 405.646 4.017 20 0 HIADHL CCOc1cc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)ccc1OCC(C)C ZINC000443453018 868040274 /nfs/dbraw/zinc/04/02/74/868040274.db2.gz KSNAKWQZMUQHRW-JXMROGBWSA-N -2 3 400.475 4.112 20 0 HIADHL CCOc1cc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)ccc1OCC(C)C ZINC000443453019 868041571 /nfs/dbraw/zinc/04/15/71/868041571.db2.gz KSNAKWQZMUQHRW-YFHOEESVSA-N -2 3 400.475 4.112 20 0 HIADHL Cc1ccc(C(=O)Nc2ccccc2)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000466338107 880093562 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