smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(S(=O)(=O)[N-]c2ccc(F)c([N-]S(C)(=O)=O)c2)ccc1F ZINC000170932984 531893539 /nfs/dbraw/zinc/89/35/39/531893539.db2.gz VDSYAXMZSZEQPV-UHFFFAOYSA-N -2 3 376.406 2.446 20 0 GEADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Br)cc3F)ccc21 ZINC000068215948 531901419 /nfs/dbraw/zinc/90/14/19/531901419.db2.gz IZOHQSICXMHQOI-UHFFFAOYSA-N -2 3 399.197 2.273 20 0 GEADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000172897154 531971709 /nfs/dbraw/zinc/97/17/09/531971709.db2.gz UXWGRQJNGZDJQK-UHFFFAOYSA-N -2 3 376.406 2.446 20 0 GEADHL CC[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000122281799 532064128 /nfs/dbraw/zinc/06/41/28/532064128.db2.gz UHSCUOKXPZRSJN-NEPJUHHUSA-N -2 3 378.491 2.444 20 0 GEADHL CC[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000122282069 532064167 /nfs/dbraw/zinc/06/41/67/532064167.db2.gz UHSCUOKXPZRSJN-RYUDHWBXSA-N -2 3 378.491 2.444 20 0 GEADHL O=S(=O)([N-]c1ccc(Cc2nnn[n-]2)cc1)c1ccc(Br)cc1 ZINC000122933082 532087227 /nfs/dbraw/zinc/08/72/27/532087227.db2.gz FEFNRCDMOOPJJH-UHFFFAOYSA-N -2 3 394.254 2.354 20 0 GEADHL O=S(=O)([N-]c1ccc(Cc2nn[n-]n2)cc1)c1ccc(Br)cc1 ZINC000122933082 532087233 /nfs/dbraw/zinc/08/72/33/532087233.db2.gz FEFNRCDMOOPJJH-UHFFFAOYSA-N -2 3 394.254 2.354 20 0 GEADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2ccc(F)cc2Br)o1 ZINC000124728102 532128755 /nfs/dbraw/zinc/12/87/55/532128755.db2.gz RECAUYUCBYGXPY-UHFFFAOYSA-N -2 3 378.175 2.358 20 0 GEADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(Br)cc2Cl)CCOCC1 ZINC000131801511 532204277 /nfs/dbraw/zinc/20/42/77/532204277.db2.gz ZPAIJNHYFAQULI-UHFFFAOYSA-N -2 3 398.662 2.015 20 0 GEADHL CC(C)(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000134698665 532260949 /nfs/dbraw/zinc/26/09/49/532260949.db2.gz MGMQXHBJGCYONT-SNVBAGLBSA-N -2 3 379.276 2.402 20 0 GEADHL CC[N-]S(=O)(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1cc(C)ccc1F ZINC000137260440 532289590 /nfs/dbraw/zinc/28/95/90/532289590.db2.gz QSFVGWHFVLIXGB-UHFFFAOYSA-N -2 3 390.433 2.372 20 0 GEADHL CC[N-]S(=O)(=O)c1cc(F)ccc1[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000137260147 532289297 /nfs/dbraw/zinc/28/92/97/532289297.db2.gz IWHOMQWLEZVPOJ-UHFFFAOYSA-N -2 3 390.433 2.205 20 0 GEADHL CC[N-]S(=O)(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000137261479 532289393 /nfs/dbraw/zinc/28/93/93/532289393.db2.gz DNOIFRSJJSTNEJ-UHFFFAOYSA-N -2 3 390.433 2.372 20 0 GEADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1OC)CC(=O)[O-] ZINC000147325213 532299015 /nfs/dbraw/zinc/29/90/15/532299015.db2.gz WJGOQWFZHMKUIR-SECBINFHSA-N -2 3 380.260 2.237 20 0 GEADHL CC1CCN(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)CC1 ZINC000184916580 532335873 /nfs/dbraw/zinc/33/58/73/532335873.db2.gz BCSKNXNZUDYQJN-UHFFFAOYSA-N -2 3 378.853 2.188 20 0 GEADHL C[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F)N1CCC[C@H](C)C1 ZINC000184915158 532335936 /nfs/dbraw/zinc/33/59/36/532335936.db2.gz KBIGKXYNJFAPLQ-QWRGUYRKSA-N -2 3 376.425 2.062 20 0 GEADHL CO[C@@H](CS(=O)(=O)[N-]c1cc(Br)ccc1[O-])C1CCOCC1 ZINC000647128254 532368845 /nfs/dbraw/zinc/36/88/45/532368845.db2.gz XEHAECWYQHBBFY-AWEZNQCLSA-N -2 3 394.287 2.338 20 0 GEADHL Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000515691048 532371336 /nfs/dbraw/zinc/37/13/36/532371336.db2.gz PTRDKSAEYCXLGO-UHFFFAOYSA-N -2 3 387.410 2.037 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)[C@H]1CCOC2(CCC2)C1 ZINC000372268150 532379873 /nfs/dbraw/zinc/37/98/73/532379873.db2.gz OYGSKEUTEMTQHU-JOYOIKCWSA-N -2 3 379.887 2.482 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1ccc(F)cc1 ZINC000558473135 532391450 /nfs/dbraw/zinc/39/14/50/532391450.db2.gz CAKGYFGQGUEMGY-NSHDSACASA-N -2 3 378.303 2.344 20 0 GEADHL C[C@H]([C@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)C(=O)[O-])C1CC1 ZINC000516982391 532401120 /nfs/dbraw/zinc/40/11/20/532401120.db2.gz YUQAXCXLLOWXBR-AYVTZFPOSA-N -2 3 386.857 2.002 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1cc(F)ccc1F ZINC000681568660 532430983 /nfs/dbraw/zinc/43/09/83/532430983.db2.gz XIOZAAKBVLCFBE-GFCCVEGCSA-N -2 3 385.373 2.074 20 0 GEADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)CC1CC1 ZINC000650430947 532446454 /nfs/dbraw/zinc/44/64/54/532446454.db2.gz BZKAMTZUMPDRIC-NSHDSACASA-N -2 3 386.857 2.004 20 0 GEADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CC2(OC)CCC2)C(=O)[O-])c1 ZINC000650432820 532446963 /nfs/dbraw/zinc/44/69/63/532446963.db2.gz JALUKWUPBHWKRQ-LBPRGKRZSA-N -2 3 377.846 2.039 20 0 GEADHL CO[C@@H](CS(=O)(=O)[N-]c1cc(I)ccc1[O-])C1CC1 ZINC000592353712 532452098 /nfs/dbraw/zinc/45/20/98/532452098.db2.gz JQUAYTZRDXNEBY-LBPRGKRZSA-N -2 3 397.234 2.164 20 0 GEADHL O=C([O-])c1ccc(Br)c([N-]S(=O)(=O)c2cncc(F)c2)c1 ZINC000230096199 532490540 /nfs/dbraw/zinc/49/05/40/532490540.db2.gz JVCOYJDZMQKODQ-UHFFFAOYSA-N -2 3 375.175 2.482 20 0 GEADHL O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)c1 ZINC000431158864 532505974 /nfs/dbraw/zinc/50/59/74/532505974.db2.gz LKBCPWHTIKJADV-UHFFFAOYSA-N -3 3 375.280 2.301 20 0 GEADHL CO[C@H](C[C@@H]([N-]S(=O)(=O)c1cscc1Br)C(=O)[O-])C1CC1 ZINC000630421223 532519138 /nfs/dbraw/zinc/51/91/38/532519138.db2.gz NJWLCLNPINVVRB-NXEZZACHSA-N -2 3 398.300 2.057 20 0 GEADHL O=C([O-])c1cn(CCCC[N-]S(=O)(=O)c2ccc(Cl)cc2Cl)nn1 ZINC000563355349 532500962 /nfs/dbraw/zinc/50/09/62/532500962.db2.gz NHIKPCMXVPUDSW-UHFFFAOYSA-N -2 3 393.252 2.042 20 0 GEADHL Cc1ccc(C[N-]S(=O)(=O)c2scnc2C(=O)[O-])c(OCC2CC2)c1 ZINC000564917136 532537027 /nfs/dbraw/zinc/53/70/27/532537027.db2.gz MSJADFIMSIDWOS-UHFFFAOYSA-N -2 3 382.463 2.417 20 0 GEADHL C[C@@H](CCC[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)C(=O)[O-] ZINC000296787230 532541598 /nfs/dbraw/zinc/54/15/98/532541598.db2.gz APFPSNRXQQKGMN-ZETCQYMHSA-N -2 3 385.667 2.277 20 0 GEADHL Cc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)[C@@H]1CCO[C@H]1C ZINC000565058737 532545576 /nfs/dbraw/zinc/54/55/76/532545576.db2.gz ZIQHBYWNBRMZSD-WCBMZHEXSA-N -2 3 378.244 2.375 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CC[C@@H]2CC=CCC2)c(F)c1 ZINC000528529345 532569915 /nfs/dbraw/zinc/56/99/15/532569915.db2.gz QUPLMLULGFAYRI-GFCCVEGCSA-N -2 3 376.475 2.222 20 0 GEADHL CCC[C@H](CCCC[N-]S(=O)(=O)c1cnc(NC(C)=O)s1)C(=O)[O-] ZINC000565541354 532567965 /nfs/dbraw/zinc/56/79/65/532567965.db2.gz OFAKWRWVEIKDOL-LLVKDONJSA-N -2 3 377.488 2.051 20 0 GEADHL COc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000473202969 532585565 /nfs/dbraw/zinc/58/55/65/532585565.db2.gz BBNVJQBKTORCFM-UHFFFAOYSA-N -2 3 390.577 2.270 20 0 GEADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C1CCC(C(=O)[O-])CC1 ZINC000262367324 532590800 /nfs/dbraw/zinc/59/08/00/532590800.db2.gz DWUFWAWMVCTAQD-UHFFFAOYSA-N -2 3 375.830 2.048 20 0 GEADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(OC)ccc1Br ZINC000297211646 532573384 /nfs/dbraw/zinc/57/33/84/532573384.db2.gz NLWNAJZWOCYTPR-VIFPVBQESA-N -2 3 380.260 2.379 20 0 GEADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)c1 ZINC000284078661 532575684 /nfs/dbraw/zinc/57/56/84/532575684.db2.gz UWIJSFSFFXSOEO-RNCFNFMXSA-N -2 3 379.862 2.284 20 0 GEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000297331249 532581238 /nfs/dbraw/zinc/58/12/38/532581238.db2.gz XUOMICSJULUHDF-ZYHUDNBSSA-N -2 3 375.468 2.237 20 0 GEADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CC1CCC1)C(=O)[O-] ZINC000530420322 532620080 /nfs/dbraw/zinc/62/00/80/532620080.db2.gz BHEJZGZSFBAFCT-LBPRGKRZSA-N -2 3 375.830 2.048 20 0 GEADHL CO[C@H](C[C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-])C1CC1 ZINC000656168722 532606116 /nfs/dbraw/zinc/60/61/16/532606116.db2.gz KASYVTWOKWGWNP-RKDXNWHRSA-N -2 3 398.300 2.057 20 0 GEADHL O=C([O-])Cc1cccc(S(=O)(=O)[N-][C@H](C[C@H]2CCCO2)C(F)(F)F)c1 ZINC000656181852 532608850 /nfs/dbraw/zinc/60/88/50/532608850.db2.gz XELDLWKCCNZYHZ-DGCLKSJQSA-N -2 3 381.372 2.092 20 0 GEADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-][C@H](C[C@H]2CCCO2)C(F)(F)F)cc1 ZINC000656180813 532609089 /nfs/dbraw/zinc/60/90/89/532609089.db2.gz MEQISGVZGHDRPC-DGCLKSJQSA-N -2 3 381.372 2.092 20 0 GEADHL Cc1cc(S(=O)(=O)[N-][C@H](C[C@H]2CCCO2)C(F)(F)F)ccc1C(=O)[O-] ZINC000656179973 532609106 /nfs/dbraw/zinc/60/91/06/532609106.db2.gz CPXVNJGXXDTJBT-ZWNOBZJWSA-N -2 3 381.372 2.472 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-][C@H](C[C@@H]2CCCO2)C(F)(F)F)c(C(=O)[O-])c1 ZINC000656180226 532609396 /nfs/dbraw/zinc/60/93/96/532609396.db2.gz FJDMJLRGEADVBC-GXFFZTMASA-N -2 3 381.372 2.472 20 0 GEADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000436477389 532635943 /nfs/dbraw/zinc/63/59/43/532635943.db2.gz LKCPCODPZGWXPC-UHFFFAOYSA-N -2 3 376.312 2.393 20 0 GEADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2csc(-c3ccccn3)n2)c1 ZINC000437006275 532647508 /nfs/dbraw/zinc/64/75/08/532647508.db2.gz UWPSNNDEJSYUDG-UHFFFAOYSA-N -3 3 377.403 2.410 20 0 GEADHL C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F)C(=O)[O-] ZINC000298856938 532680542 /nfs/dbraw/zinc/68/05/42/532680542.db2.gz MTHTYTXCRPBCHG-YFKPBYRVSA-N -2 3 376.150 2.219 20 0 GEADHL C[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000285558375 532690938 /nfs/dbraw/zinc/69/09/38/532690938.db2.gz SWNRSJYIFLKCDM-HTQZYQBOSA-N -2 3 398.300 2.160 20 0 GEADHL COc1cc(F)c(S(=O)(=O)[N-][C@H](C)CCC[C@H](C)C(=O)[O-])cc1OC ZINC000392618684 532708176 /nfs/dbraw/zinc/70/81/76/532708176.db2.gz MFUMIIGWXATBIM-WDEREUQCSA-N -2 3 377.434 2.401 20 0 GEADHL COc1cc(F)c(S(=O)(=O)[N-][C@H](C)CCC[C@@H](C)C(=O)[O-])cc1OC ZINC000392618673 532708478 /nfs/dbraw/zinc/70/84/78/532708478.db2.gz MFUMIIGWXATBIM-GHMZBOCLSA-N -2 3 377.434 2.401 20 0 GEADHL CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1 ZINC000392696059 532709003 /nfs/dbraw/zinc/70/90/03/532709003.db2.gz CBZRGPQGUWZFEN-UHFFFAOYSA-N -2 3 382.825 2.128 20 0 GEADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC)CC(=O)[O-] ZINC000575234128 532717760 /nfs/dbraw/zinc/71/77/60/532717760.db2.gz WMFMJPPOIHTPBA-MRVPVSSYSA-N -2 3 398.250 2.376 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cnc2onc(C3CC3)c2c1)c1cccs1 ZINC000646042622 532721742 /nfs/dbraw/zinc/72/17/42/532721742.db2.gz FWOPCXFEAUMBKX-ZDUSSCGKSA-N -2 3 379.419 2.266 20 0 GEADHL O=S(=O)([N-]CCN=c1nc(C2CC2)[n-]s1)c1ccc(Cl)cc1F ZINC000440653873 532719127 /nfs/dbraw/zinc/71/91/27/532719127.db2.gz KPGNDXMYCBYBSJ-UHFFFAOYSA-N -2 3 376.866 2.020 20 0 GEADHL O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1c([O-])cccc1F ZINC000442975647 532738173 /nfs/dbraw/zinc/73/81/73/532738173.db2.gz KFSMFWZKUWXIRN-UHFFFAOYSA-N -2 3 390.795 2.032 20 0 GEADHL Cc1nn2cc(S(=O)(=O)[N-][C@H](C)CCC[C@@H](C)C(=O)[O-])cnc2c1Cl ZINC000547613225 532787252 /nfs/dbraw/zinc/78/72/52/532787252.db2.gz ZXCHVRIKSONOTG-NXEZZACHSA-N -2 3 388.877 2.249 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cncc(F)c1)c1ccccc1Br ZINC000548209701 532788887 /nfs/dbraw/zinc/78/88/87/532788887.db2.gz VWVJDTDHLIRDQP-LBPRGKRZSA-N -2 3 389.202 2.087 20 0 GEADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cnn(C)c2)c1Cl ZINC000325450682 532789539 /nfs/dbraw/zinc/78/95/39/532789539.db2.gz XKXRNFBWLPNTPD-LBPRGKRZSA-N -2 3 392.264 2.448 20 0 GEADHL CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000327989544 532792877 /nfs/dbraw/zinc/79/28/77/532792877.db2.gz CLBVNNJGGRTFEL-UHFFFAOYSA-N -2 3 386.788 2.338 20 0 GEADHL O=C([O-])[C@H](O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000549549282 532794423 /nfs/dbraw/zinc/79/44/23/532794423.db2.gz OPNZOCNONBMXLG-UKRRQHHQSA-N -2 3 377.409 2.028 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccncc2C)cc1F ZINC000271802025 532811820 /nfs/dbraw/zinc/81/18/20/532811820.db2.gz AZLFWLSRPWPLEJ-UHFFFAOYSA-N -2 3 387.458 2.482 20 0 GEADHL CCc1noc(C)c1C[N-]S(=O)(=O)c1cc(OC)c(C(=O)[O-])cc1Cl ZINC000414353614 532822033 /nfs/dbraw/zinc/82/20/33/532822033.db2.gz YTAJXGADUYCQDV-UHFFFAOYSA-N -2 3 388.829 2.384 20 0 GEADHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)c(C)n1 ZINC000414455843 532828350 /nfs/dbraw/zinc/82/83/50/532828350.db2.gz IKPUSTGJMDRILL-UHFFFAOYSA-N -2 3 387.458 2.318 20 0 GEADHL COC(=O)Cc1ccc(S(=O)(=O)[N-][C@H](CCC(C)(C)C)C(=O)[O-])s1 ZINC000275004476 532861088 /nfs/dbraw/zinc/86/10/88/532861088.db2.gz MGWCIRVWJBPUOA-LLVKDONJSA-N -2 3 377.484 2.021 20 0 GEADHL COc1ccc(Br)cc1S(=O)(=O)[N-]CC[C@@H](C)CC(=O)[O-] ZINC000275063084 532862753 /nfs/dbraw/zinc/86/27/53/532862753.db2.gz UYXDONHCSZOHFZ-SECBINFHSA-N -2 3 380.260 2.237 20 0 GEADHL COc1ccc(Br)c(S(=O)(=O)[N-]CC[C@H](C)CC(=O)[O-])c1 ZINC000275071849 532863319 /nfs/dbraw/zinc/86/33/19/532863319.db2.gz WUACXPFKTHGQOA-VIFPVBQESA-N -2 3 380.260 2.237 20 0 GEADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](Cc2cnn(C)c2)C(=O)[O-])c1Cl ZINC000275234411 532869477 /nfs/dbraw/zinc/86/94/77/532869477.db2.gz JRFAYUYZANRGFO-LLVKDONJSA-N -2 3 392.264 2.010 20 0 GEADHL COc1ccc(S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-])c(Cl)c1Cl ZINC000275373779 532874237 /nfs/dbraw/zinc/87/42/37/532874237.db2.gz ZADODOBOFDRPTE-YFKPBYRVSA-N -2 3 378.180 2.389 20 0 GEADHL COc1ccc(S(=O)(=O)[N-][C@H](CC(F)F)C(=O)[O-])c(Cl)c1Cl ZINC000275373773 532874321 /nfs/dbraw/zinc/87/43/21/532874321.db2.gz ZADODOBOFDRPTE-RXMQYKEDSA-N -2 3 378.180 2.389 20 0 GEADHL CCO[C@H]1C[C@@]([N-]S(=O)(=O)c2ccc(Cl)cc2F)(C(=O)[O-])C1(C)C ZINC000275564754 532879192 /nfs/dbraw/zinc/87/91/92/532879192.db2.gz FXFGFPBKSXRIGD-SWLSCSKDSA-N -2 3 379.837 2.416 20 0 GEADHL CC[C@@H](CS(=O)(=O)[N-]c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)OC ZINC000421145763 532888773 /nfs/dbraw/zinc/88/87/73/532888773.db2.gz DCFCFVMADPFTHQ-LBPRGKRZSA-N -2 3 396.506 2.069 20 0 GEADHL COC(=O)[C@H](CNC(=O)c1s[n-]c(=O)c1Cl)Cc1ccc([O-])c(F)c1 ZINC000422032957 532891260 /nfs/dbraw/zinc/89/12/60/532891260.db2.gz ASCBXNJPJPUJND-QMMMGPOBSA-N -2 3 388.804 2.109 20 0 GEADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000736647632 598842970 /nfs/dbraw/zinc/84/29/70/598842970.db2.gz RHYPJACTNPYDLH-UHFFFAOYSA-N -2 3 381.364 2.344 20 0 GEADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000736647632 598842972 /nfs/dbraw/zinc/84/29/72/598842972.db2.gz RHYPJACTNPYDLH-UHFFFAOYSA-N -2 3 381.364 2.344 20 0 GEADHL CCOCc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000736627987 598843198 /nfs/dbraw/zinc/84/31/98/598843198.db2.gz YIVCHYAPJIONDH-UHFFFAOYSA-N -2 3 377.401 2.343 20 0 GEADHL CCOCc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000736627987 598843199 /nfs/dbraw/zinc/84/31/99/598843199.db2.gz YIVCHYAPJIONDH-UHFFFAOYSA-N -2 3 377.401 2.343 20 0 GEADHL CCOc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1OC ZINC000736626891 598843521 /nfs/dbraw/zinc/84/35/21/598843521.db2.gz UJZUXUDUQAUXBB-UHFFFAOYSA-N -2 3 393.400 2.214 20 0 GEADHL CCOc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1OC ZINC000736626891 598843522 /nfs/dbraw/zinc/84/35/22/598843522.db2.gz UJZUXUDUQAUXBB-UHFFFAOYSA-N -2 3 393.400 2.214 20 0 GEADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2C)c1F ZINC000822183937 607255283 /nfs/dbraw/zinc/25/52/83/607255283.db2.gz MHKHUBLALFCFSX-UHFFFAOYSA-N -3 3 391.384 2.122 20 0 GEADHL CC(C)=C[C@H]1[C@H](C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)C1(C)C ZINC000735680355 598975849 /nfs/dbraw/zinc/97/58/49/598975849.db2.gz UYLYRFYDYONGKA-DZGCQCFKSA-N -2 3 389.481 2.218 20 0 GEADHL CC(C)=C[C@H]1[C@H](C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)C1(C)C ZINC000735680355 598975851 /nfs/dbraw/zinc/97/58/51/598975851.db2.gz UYLYRFYDYONGKA-DZGCQCFKSA-N -2 3 389.481 2.218 20 0 GEADHL Cc1ccccc1C1(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)CC1 ZINC000737423305 598975004 /nfs/dbraw/zinc/97/50/04/598975004.db2.gz UCZLNFVRSAWRLB-UHFFFAOYSA-N -2 3 397.460 2.020 20 0 GEADHL Cc1ccccc1C1(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)CC1 ZINC000737423305 598975006 /nfs/dbraw/zinc/97/50/06/598975006.db2.gz UCZLNFVRSAWRLB-UHFFFAOYSA-N -2 3 397.460 2.020 20 0 GEADHL O=C([N-]S(=O)(=O)c1ccc2ccccc2c1)c1sccc1-c1nnn[n-]1 ZINC000738140471 599026239 /nfs/dbraw/zinc/02/62/39/599026239.db2.gz VNKZQAIMIGXZRB-UHFFFAOYSA-N -2 3 385.430 2.200 20 0 GEADHL O=C([N-]S(=O)(=O)c1ccc2ccccc2c1)c1sccc1-c1nn[n-]n1 ZINC000738140471 599026240 /nfs/dbraw/zinc/02/62/40/599026240.db2.gz VNKZQAIMIGXZRB-UHFFFAOYSA-N -2 3 385.430 2.200 20 0 GEADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000736184965 599221226 /nfs/dbraw/zinc/22/12/26/599221226.db2.gz QIFOQASTDWLPJA-XHDPSFHLSA-N -2 3 399.382 2.105 20 0 GEADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000736184965 599221227 /nfs/dbraw/zinc/22/12/27/599221227.db2.gz QIFOQASTDWLPJA-XHDPSFHLSA-N -2 3 399.382 2.105 20 0 GEADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cnc(Cl)c(C)c1 ZINC000737061725 599229902 /nfs/dbraw/zinc/22/99/02/599229902.db2.gz DFKHNTXECCQDIC-UHFFFAOYSA-N -2 3 380.817 2.033 20 0 GEADHL Cc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cn1 ZINC000822225056 599231359 /nfs/dbraw/zinc/23/13/59/599231359.db2.gz MHRIBBHRWZFGEO-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL O=S(=O)([N-]c1ccc(F)cc1OC(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000738343352 599237681 /nfs/dbraw/zinc/23/76/81/599237681.db2.gz XOPPMWJVTZXSEM-UHFFFAOYSA-N -2 3 385.327 2.408 20 0 GEADHL O=S(=O)([N-]c1ccc(F)cc1OC(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000738343352 599237682 /nfs/dbraw/zinc/23/76/82/599237682.db2.gz XOPPMWJVTZXSEM-UHFFFAOYSA-N -2 3 385.327 2.408 20 0 GEADHL O=S(=O)([N-]c1ccc(Br)cc1O)c1cccc(-c2nnn[n-]2)c1 ZINC000738346269 599314481 /nfs/dbraw/zinc/31/44/81/599314481.db2.gz WZFKEFKMZXZZQQ-UHFFFAOYSA-N -2 3 396.226 2.136 20 0 GEADHL O=S(=O)([N-]c1ccc(Br)cc1O)c1cccc(-c2nn[n-]n2)c1 ZINC000738346269 599314484 /nfs/dbraw/zinc/31/44/84/599314484.db2.gz WZFKEFKMZXZZQQ-UHFFFAOYSA-N -2 3 396.226 2.136 20 0 GEADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000737063284 598330429 /nfs/dbraw/zinc/33/04/29/598330429.db2.gz UPSOBYCLJWMRNA-UHFFFAOYSA-N -2 3 382.405 2.224 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)c1ccc(C(F)F)cc1 ZINC000738138102 598363883 /nfs/dbraw/zinc/36/38/83/598363883.db2.gz DNGSDLQHABNBFQ-UHFFFAOYSA-N -2 3 393.375 2.064 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)c1ccc(C(F)F)cc1 ZINC000738138102 598363885 /nfs/dbraw/zinc/36/38/85/598363885.db2.gz DNGSDLQHABNBFQ-UHFFFAOYSA-N -2 3 393.375 2.064 20 0 GEADHL Cn1nccc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000737628801 598452668 /nfs/dbraw/zinc/45/26/68/598452668.db2.gz RDWHMWKJGQYCCJ-UHFFFAOYSA-N -2 3 397.420 2.193 20 0 GEADHL Cn1nccc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000737628801 598452670 /nfs/dbraw/zinc/45/26/70/598452670.db2.gz RDWHMWKJGQYCCJ-UHFFFAOYSA-N -2 3 397.420 2.193 20 0 GEADHL O=S(=O)([N-]c1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1OC(F)F ZINC000738341663 598594627 /nfs/dbraw/zinc/59/46/27/598594627.db2.gz IUHMFPJMOGDIHJ-UHFFFAOYSA-N -2 3 385.327 2.408 20 0 GEADHL O=S(=O)([N-]c1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1OC(F)F ZINC000738341663 598594629 /nfs/dbraw/zinc/59/46/29/598594629.db2.gz IUHMFPJMOGDIHJ-UHFFFAOYSA-N -2 3 385.327 2.408 20 0 GEADHL O=S(=O)([N-]c1ccnc(-c2ccccc2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738342173 598740601 /nfs/dbraw/zinc/74/06/01/598740601.db2.gz NMPACBAAOHCOGE-UHFFFAOYSA-N -2 3 379.405 2.125 20 0 GEADHL O=S(=O)([N-]c1ccnc(-c2ccccc2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738342173 598740602 /nfs/dbraw/zinc/74/06/02/598740602.db2.gz NMPACBAAOHCOGE-UHFFFAOYSA-N -2 3 379.405 2.125 20 0 GEADHL O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823387373 599300773 /nfs/dbraw/zinc/30/07/73/599300773.db2.gz IYOVFTBZLJBTLI-UWVGGRQHSA-N -2 3 381.314 2.491 20 0 GEADHL O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823387373 599300776 /nfs/dbraw/zinc/30/07/76/599300776.db2.gz IYOVFTBZLJBTLI-UWVGGRQHSA-N -2 3 381.314 2.491 20 0 GEADHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)ccc1F ZINC000823387817 599302881 /nfs/dbraw/zinc/30/28/81/599302881.db2.gz ZBHOAZKJOGFEIN-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000736948761 599303665 /nfs/dbraw/zinc/30/36/65/599303665.db2.gz MUBDBJDWHCKQPL-UHFFFAOYSA-N -2 3 393.812 2.108 20 0 GEADHL Cc1noc2ncc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)c(Cl)c3)cc12 ZINC000822530441 599305184 /nfs/dbraw/zinc/30/51/84/599305184.db2.gz BMPKLRPDNFSROK-UHFFFAOYSA-N -2 3 391.800 2.166 20 0 GEADHL Cc1noc2ncc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)c(Cl)c3)cc12 ZINC000822530441 599305185 /nfs/dbraw/zinc/30/51/85/599305185.db2.gz BMPKLRPDNFSROK-UHFFFAOYSA-N -2 3 391.800 2.166 20 0 GEADHL C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736200166 599515870 /nfs/dbraw/zinc/51/58/70/599515870.db2.gz CIDMCVMXZPACCA-XZHRJIJLSA-N -2 3 383.433 2.087 20 0 GEADHL C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736200166 599515872 /nfs/dbraw/zinc/51/58/72/599515872.db2.gz CIDMCVMXZPACCA-XZHRJIJLSA-N -2 3 383.433 2.087 20 0 GEADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccsc1 ZINC000735549593 599616848 /nfs/dbraw/zinc/61/68/48/599616848.db2.gz BCZDQSSQSXGYHA-MRVPVSSYSA-N -2 3 397.869 2.190 20 0 GEADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccsc1 ZINC000735549593 599616850 /nfs/dbraw/zinc/61/68/50/599616850.db2.gz BCZDQSSQSXGYHA-MRVPVSSYSA-N -2 3 397.869 2.190 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CC/C=C/c1ccccc1 ZINC000737299976 599618029 /nfs/dbraw/zinc/61/80/29/599618029.db2.gz SXUKVYNLITXZJP-WEVVVXLNSA-N -2 3 397.460 2.474 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CC/C=C/c1ccccc1 ZINC000737299976 599618030 /nfs/dbraw/zinc/61/80/30/599618030.db2.gz SXUKVYNLITXZJP-WEVVVXLNSA-N -2 3 397.460 2.474 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000822222605 599624803 /nfs/dbraw/zinc/62/48/03/599624803.db2.gz NLQBPLIULLJBDG-GJZGRUSLSA-N -2 3 389.481 2.196 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000822222605 599624804 /nfs/dbraw/zinc/62/48/04/599624804.db2.gz NLQBPLIULLJBDG-GJZGRUSLSA-N -2 3 389.481 2.196 20 0 GEADHL CC(C)CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000820076652 599689503 /nfs/dbraw/zinc/68/95/03/599689503.db2.gz QJKRXYDTIJDDTP-UHFFFAOYSA-N -2 3 388.453 2.487 20 0 GEADHL CC(C)CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000820076652 599689504 /nfs/dbraw/zinc/68/95/04/599689504.db2.gz QJKRXYDTIJDDTP-UHFFFAOYSA-N -2 3 388.453 2.487 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(OCC(F)(F)F)c2)o1 ZINC000740176453 599771377 /nfs/dbraw/zinc/77/13/77/599771377.db2.gz DTUKFSPBPQRWFN-UHFFFAOYSA-N -2 3 379.312 2.397 20 0 GEADHL CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1)c1nc(C2CC2)no1 ZINC000570839549 599775149 /nfs/dbraw/zinc/77/51/49/599775149.db2.gz NSGZILWURKGQPV-OAHLLOKOSA-N -2 3 395.437 2.086 20 0 GEADHL Cc1ccc(C(=O)NCCC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)c([O-])c1 ZINC000738260253 599800426 /nfs/dbraw/zinc/80/04/26/599800426.db2.gz LLKFGBDQRHMIRD-MRXNPFEDSA-N -2 3 388.395 2.292 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000738064218 599853578 /nfs/dbraw/zinc/85/35/78/599853578.db2.gz VYGSEHIDOCVRJQ-UHFFFAOYSA-N -3 3 379.390 2.211 20 0 GEADHL O=C([O-])CCSCc1cccc(NC(=O)CNC(=O)c2ccc([O-])cc2)c1 ZINC000739754693 600110315 /nfs/dbraw/zinc/11/03/15/600110315.db2.gz YTIVEUMULJERSH-UHFFFAOYSA-N -2 3 388.445 2.469 20 0 GEADHL CC[C@@]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C)(C(=O)OC)c1ccccc1 ZINC000736920548 600135307 /nfs/dbraw/zinc/13/53/07/600135307.db2.gz OUMMFQZJLHBRLQ-IBGZPJMESA-N -2 3 391.445 2.450 20 0 GEADHL C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000736549184 600174741 /nfs/dbraw/zinc/17/47/41/600174741.db2.gz SXJFYGVPRHHPFO-SNVBAGLBSA-N -2 3 397.840 2.129 20 0 GEADHL CSC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000738188234 600241217 /nfs/dbraw/zinc/24/12/17/600241217.db2.gz ZBFBRZWYZAMSOH-LURJTMIESA-N -2 3 386.264 2.316 20 0 GEADHL CS(=O)(=O)[N-]c1cc(C(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)ccc1F ZINC000738163900 600454712 /nfs/dbraw/zinc/45/47/12/600454712.db2.gz KLOYUWAJWVNIPK-CQSZACIVSA-N -2 3 385.344 2.319 20 0 GEADHL O=C([O-])N1CCC(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000738486144 600537148 /nfs/dbraw/zinc/53/71/48/600537148.db2.gz BESZFLSJTBBWCD-UHFFFAOYSA-N -2 3 394.225 2.163 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)ccc1OC ZINC000610056745 600543143 /nfs/dbraw/zinc/54/31/43/600543143.db2.gz JXVDHGWMQJCXKB-UHFFFAOYSA-N -2 3 383.353 2.120 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000507561229 600545324 /nfs/dbraw/zinc/54/53/24/600545324.db2.gz AFVOCDBGIKAAMH-UHFFFAOYSA-N -3 3 395.389 2.048 20 0 GEADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000739886358 600629503 /nfs/dbraw/zinc/62/95/03/600629503.db2.gz DBZXTSCSZIODFQ-UHFFFAOYSA-N -2 3 394.424 2.090 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCCCO2)c(F)cc1Br ZINC000740088357 600634117 /nfs/dbraw/zinc/63/41/17/600634117.db2.gz UAZFNAZMRUVQET-QMMMGPOBSA-N -2 3 396.234 2.134 20 0 GEADHL COc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(C)=O)c2)c(C(=O)[O-])c1 ZINC000504666754 600635036 /nfs/dbraw/zinc/63/50/36/600635036.db2.gz YKJISCDABSPIMJ-UHFFFAOYSA-N -2 3 378.406 2.461 20 0 GEADHL Cn1cc(S(=O)(=O)[N-]c2cc(N3CCCC3=O)ccc2Cl)cc1C(=O)[O-] ZINC000298417980 600809809 /nfs/dbraw/zinc/80/98/09/600809809.db2.gz PERUFIHAIABGOX-UHFFFAOYSA-N -2 3 397.840 2.304 20 0 GEADHL COC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000042792366 600809819 /nfs/dbraw/zinc/80/98/19/600809819.db2.gz FSEJUQPUUINIJL-UHFFFAOYSA-N -2 3 379.390 2.046 20 0 GEADHL CC(C)NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000299134988 600811567 /nfs/dbraw/zinc/81/15/67/600811567.db2.gz GLADRRNQEHSGSP-UHFFFAOYSA-N -2 3 399.856 2.316 20 0 GEADHL C[C@H](OC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-])C(=O)NCC(=O)[O-] ZINC000827844618 600867947 /nfs/dbraw/zinc/86/79/47/600867947.db2.gz RWAIBQRAHKUOIF-JTQLQIEISA-N -2 3 377.780 2.459 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2ccnc(N3CCCC3)c2)c1F ZINC000833294003 600992781 /nfs/dbraw/zinc/99/27/81/600992781.db2.gz KTONNOJGHSCQOY-UHFFFAOYSA-N -2 3 397.403 2.137 20 0 GEADHL CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCC[C@H](C(=O)[O-])C3)nc(=O)c2c1C ZINC000737157019 601029501 /nfs/dbraw/zinc/02/95/01/601029501.db2.gz QKEBQTJYHBXAFD-MNOVXSKESA-N -2 3 393.465 2.327 20 0 GEADHL CCc1nc2ccccc2n1CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000830322660 601222780 /nfs/dbraw/zinc/22/27/80/601222780.db2.gz KFDDXOKAQVSKIQ-UHFFFAOYSA-N -2 3 377.422 2.177 20 0 GEADHL COc1ccc2[nH]cc(CC[N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)o3)c2c1 ZINC000832481625 601223537 /nfs/dbraw/zinc/22/35/37/601223537.db2.gz NRRQIMHHXGUYAM-UHFFFAOYSA-N -2 3 378.406 2.297 20 0 GEADHL C[C@@H]1Oc2ccc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)cc2NC1=O ZINC000013032985 601319994 /nfs/dbraw/zinc/31/99/94/601319994.db2.gz GADSPOMWZLYWKZ-QMMMGPOBSA-N -2 3 380.353 2.044 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCOC3)cc2)ccc1F ZINC000738678233 601332487 /nfs/dbraw/zinc/33/24/87/601332487.db2.gz DBDAQFAEEYKYPN-CYBMUJFWSA-N -2 3 381.381 2.492 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cc1NC(C)=O ZINC000608343478 601333296 /nfs/dbraw/zinc/33/32/96/601333296.db2.gz LRZIXFKCHPPOAP-UHFFFAOYSA-N -2 3 378.406 2.461 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)ccc1OC ZINC000484803390 601333353 /nfs/dbraw/zinc/33/33/53/601333353.db2.gz NOPKZVAFLWHPMC-UHFFFAOYSA-N -2 3 379.390 2.289 20 0 GEADHL Cc1nc2cc([N-]S(=O)(=O)c3ccc(OCC(=O)[O-])cc3)ccc2n1C ZINC000833003999 601340095 /nfs/dbraw/zinc/34/00/95/601340095.db2.gz FQZRZZUZQGELNB-UHFFFAOYSA-N -2 3 375.406 2.146 20 0 GEADHL CC(C)[C@@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000826747442 601399029 /nfs/dbraw/zinc/39/90/29/601399029.db2.gz MZYIBFPQMYCLSL-BMIGLBTASA-N -2 3 377.409 2.393 20 0 GEADHL CCCCC[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F)C(=O)[O-] ZINC000829340452 601403442 /nfs/dbraw/zinc/40/34/42/601403442.db2.gz PNHACTKMOUEOLX-JTQLQIEISA-N -2 3 379.381 2.063 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@@H](c2nnc3ccccn32)C(C)C)cc1C(=O)[O-] ZINC000833029185 601585380 /nfs/dbraw/zinc/58/53/80/601585380.db2.gz YXHRBRKEUNDQRK-CQSZACIVSA-N -2 3 378.410 2.005 20 0 GEADHL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cc2c(cc1F)CCC(=O)N2 ZINC000833358221 601858693 /nfs/dbraw/zinc/85/86/93/601858693.db2.gz GLFXUDKSMSBGSX-UHFFFAOYSA-N -2 3 382.344 2.349 20 0 GEADHL Cc1nc(-c2ccc([N-]S(=O)(=O)c3cccc(C)c3-c3nnn[n-]3)cc2)n[nH]1 ZINC000826321484 607536905 /nfs/dbraw/zinc/53/69/05/607536905.db2.gz GMXFRHIAWGYSDC-UHFFFAOYSA-N -2 3 396.436 2.069 20 0 GEADHL Cc1nc(-c2ccc([N-]S(=O)(=O)c3cccc(C)c3-c3nn[n-]n3)cc2)n[nH]1 ZINC000826321484 607536907 /nfs/dbraw/zinc/53/69/07/607536907.db2.gz GMXFRHIAWGYSDC-UHFFFAOYSA-N -2 3 396.436 2.069 20 0 GEADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(OCCC(=O)[O-])cc1 ZINC000507646302 601984489 /nfs/dbraw/zinc/98/44/89/601984489.db2.gz WLOJOLWYZYRVKW-UHFFFAOYSA-N -3 3 379.390 2.348 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCc2ccsc2)c(Br)o1 ZINC000055329772 602143879 /nfs/dbraw/zinc/14/38/79/602143879.db2.gz JKOROJPLGKUECI-UHFFFAOYSA-N -2 3 380.241 2.323 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c(=O)n(C)c1 ZINC000755259371 602204318 /nfs/dbraw/zinc/20/43/18/602204318.db2.gz VINYIBIOVXGQMH-UHFFFAOYSA-N -2 3 391.232 2.500 20 0 GEADHL CC[C@@]1(C)CCN(Cc2nc(=O)c3c(CC(=O)[O-])c(C(=O)OC)sc3[n-]2)C1 ZINC000829050372 602241058 /nfs/dbraw/zinc/24/10/58/602241058.db2.gz PZOXRCNTNNYFGV-SFHVURJKSA-N -2 3 393.465 2.020 20 0 GEADHL Cc1cc(=O)[n-]c(CN2CCN([C@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)n1 ZINC000832898740 602311130 /nfs/dbraw/zinc/31/11/30/602311130.db2.gz BNVNDOQERRPGRZ-KRWDZBQOSA-N -2 3 376.844 2.088 20 0 GEADHL O=C([O-])c1cc(Br)ccc1S(=O)(=O)[N-]c1ccc2n[nH]nc2c1 ZINC000833296147 602319364 /nfs/dbraw/zinc/31/93/64/602319364.db2.gz UDFTZVBSMHBUAD-UHFFFAOYSA-N -2 3 397.210 2.219 20 0 GEADHL O=C([O-])c1cc(Br)ccc1S(=O)(=O)[N-]c1ccc2[nH]nnc2c1 ZINC000833296147 602319368 /nfs/dbraw/zinc/31/93/68/602319368.db2.gz UDFTZVBSMHBUAD-UHFFFAOYSA-N -2 3 397.210 2.219 20 0 GEADHL CC(C)[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1F)NC(=O)[O-] ZINC000738791494 602788264 /nfs/dbraw/zinc/78/82/64/602788264.db2.gz CZJBUTFJIGUEDK-JTQLQIEISA-N -2 3 383.239 2.159 20 0 GEADHL C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O)NC(=O)[O-] ZINC000824678341 602863204 /nfs/dbraw/zinc/86/32/04/602863204.db2.gz BHZCADGXVFLTJA-ZETCQYMHSA-N -2 3 383.348 2.062 20 0 GEADHL COc1ccccc1[C@H](CNC(=O)NCc1ccc([O-])c(F)c1)NC(=O)[O-] ZINC000739962220 602906958 /nfs/dbraw/zinc/90/69/58/602906958.db2.gz JCXDGEFYMYNEHI-AWEZNQCLSA-N -2 3 377.372 2.348 20 0 GEADHL COc1ccccc1[C@@H](CNC(=O)NCc1ccc([O-])c(F)c1)NC(=O)[O-] ZINC000739962224 602907113 /nfs/dbraw/zinc/90/71/13/602907113.db2.gz JCXDGEFYMYNEHI-CQSZACIVSA-N -2 3 377.372 2.348 20 0 GEADHL O=C([O-])N1CCC[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000739925705 603241863 /nfs/dbraw/zinc/24/18/63/603241863.db2.gz DFNVRFVALQPZLB-VIFPVBQESA-N -2 3 381.223 2.009 20 0 GEADHL CSCC[C@@H](NC(=O)[O-])C(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000829738286 603472878 /nfs/dbraw/zinc/47/28/78/603472878.db2.gz XSVOCAKMJXMKQR-CYBMUJFWSA-N -2 3 377.422 2.452 20 0 GEADHL CSCC[C@H](NC(=O)[O-])C(=O)Oc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000829738287 603472886 /nfs/dbraw/zinc/47/28/86/603472886.db2.gz XSVOCAKMJXMKQR-ZDUSSCGKSA-N -2 3 377.422 2.452 20 0 GEADHL CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(OCCNC(=O)[O-])c1 ZINC000829778156 603486940 /nfs/dbraw/zinc/48/69/40/603486940.db2.gz SPVMXRHHZGCHBJ-UHFFFAOYSA-N -2 3 378.410 2.111 20 0 GEADHL Cc1cc(S(=O)(=O)[N-][C@H](CNC(=O)[O-])C2CC2)sc1Br ZINC000830133582 603508988 /nfs/dbraw/zinc/50/89/88/603508988.db2.gz WOPUOBXXFDASNZ-MRVPVSSYSA-N -2 3 383.289 2.144 20 0 GEADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)c(C)o1 ZINC000828578713 603544037 /nfs/dbraw/zinc/54/40/37/603544037.db2.gz CMKFUNPKVZUINB-VIFPVBQESA-N -2 3 381.410 2.077 20 0 GEADHL C[C@@H](NC(=O)[O-])c1ccc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000825408309 604142233 /nfs/dbraw/zinc/14/22/33/604142233.db2.gz IRHJVPFUROMAEI-SNVBAGLBSA-N -2 3 375.356 2.115 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@H](CCO)c2ccccc2)c1F ZINC000833294815 604357081 /nfs/dbraw/zinc/35/70/81/604357081.db2.gz IJKCOTHOOAWPQB-LBPRGKRZSA-N -2 3 385.388 2.108 20 0 GEADHL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cccnc1Br ZINC000833294713 604405607 /nfs/dbraw/zinc/40/56/07/604405607.db2.gz UHGDJAAXPRKRHL-UHFFFAOYSA-N -2 3 375.175 2.482 20 0 GEADHL CCc1cc(=O)[n-]c(CN2CCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)n1 ZINC000830224388 604494379 /nfs/dbraw/zinc/49/43/79/604494379.db2.gz MJQGOFYNKPJQDM-GOSISDBHSA-N -2 3 390.871 2.342 20 0 GEADHL Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000833029929 604669243 /nfs/dbraw/zinc/66/92/43/604669243.db2.gz MJOYVZRVTLOPBL-ZDUSSCGKSA-N -2 3 397.387 2.072 20 0 GEADHL CN1CC[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)[C@H]1c1ccccc1 ZINC000833697939 604707048 /nfs/dbraw/zinc/70/70/48/604707048.db2.gz JXEIERJXOJIWAN-SUMWQHHRSA-N -2 3 396.415 2.387 20 0 GEADHL COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc3c(cc2[O-])OCO3)c(OC)c1 ZINC000833732729 604740083 /nfs/dbraw/zinc/74/00/83/604740083.db2.gz ZTNDSESNYPOMLV-ZDUSSCGKSA-N -2 3 389.360 2.084 20 0 GEADHL CCc1nc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])sc1C(=O)[O-] ZINC000833675091 605007290 /nfs/dbraw/zinc/00/72/90/605007290.db2.gz BRAOYJRRBDKGTJ-GFCCVEGCSA-N -2 3 389.433 2.353 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C(=O)[O-])cc2)cc1CC(=O)[O-] ZINC000833734479 605042462 /nfs/dbraw/zinc/04/24/62/605042462.db2.gz GSPQFRRXXPSNCJ-UHFFFAOYSA-N -3 3 394.405 2.237 20 0 GEADHL CCc1nc(C2([N-]S(=O)(=O)c3cccc(F)c3C(=O)[O-])CCCC2)no1 ZINC000833672779 605043729 /nfs/dbraw/zinc/04/37/29/605043729.db2.gz DECJLGIOMTUUJL-UHFFFAOYSA-N -2 3 383.401 2.217 20 0 GEADHL CCc1noc(-c2ccc(CC[N-]S(=O)(=O)c3cc(C(=O)[O-])co3)cc2)n1 ZINC000833678583 605199790 /nfs/dbraw/zinc/19/97/90/605199790.db2.gz HQCJDOFAYXIOCE-UHFFFAOYSA-N -2 3 391.405 2.111 20 0 GEADHL CC(C)(C)OC(=O)N1CCCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000833438242 605204148 /nfs/dbraw/zinc/20/41/48/605204148.db2.gz AVMFHFLFANUENM-LBPRGKRZSA-N -2 3 388.442 2.046 20 0 GEADHL O=C([O-])NCc1nc(C(=O)NCc2ccc([O-])c(Br)c2)cs1 ZINC000832734438 605415407 /nfs/dbraw/zinc/41/54/07/605415407.db2.gz AVEKHSWMKZPVQE-UHFFFAOYSA-N -2 3 386.227 2.309 20 0 GEADHL COc1cc(C(=O)N2CCC([C@H]3CCCN3C(=O)[O-])CC2)cc(OC)c1[O-] ZINC000833885902 605905623 /nfs/dbraw/zinc/90/56/23/605905623.db2.gz OZWMMWNGCNHYJU-CQSZACIVSA-N -2 3 378.425 2.404 20 0 GEADHL O=C([O-])N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000834251850 605926762 /nfs/dbraw/zinc/92/67/62/605926762.db2.gz RVLMZXMSYCLSCM-INIZCTEOSA-N -2 3 391.391 2.165 20 0 GEADHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(OCCNC(=O)[O-])cc3)ccc2O1 ZINC000833839699 606079472 /nfs/dbraw/zinc/07/94/72/606079472.db2.gz WBWHBWXMIHTJHT-LBPRGKRZSA-N -2 3 392.433 2.457 20 0 GEADHL O=S(=O)([N-]c1ccccc1O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000823589254 606206695 /nfs/dbraw/zinc/20/66/95/606206695.db2.gz VTMRZFNNBLPDMN-UHFFFAOYSA-N -2 3 385.327 2.392 20 0 GEADHL O=S(=O)([N-]c1ccccc1O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000823589254 606206697 /nfs/dbraw/zinc/20/66/97/606206697.db2.gz VTMRZFNNBLPDMN-UHFFFAOYSA-N -2 3 385.327 2.392 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000822221327 606430669 /nfs/dbraw/zinc/43/06/69/606430669.db2.gz KHMKALHZKXSJJA-UHFFFAOYSA-N -3 3 391.384 2.122 20 0 GEADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000821589440 606751270 /nfs/dbraw/zinc/75/12/70/606751270.db2.gz NJCHHTPBACYKTP-UHFFFAOYSA-N -2 3 378.845 2.387 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2-c2nn[n-]n2)cc1F ZINC000822266497 606751417 /nfs/dbraw/zinc/75/14/17/606751417.db2.gz BGFURQZWJRDKNE-UHFFFAOYSA-N -2 3 376.417 2.181 20 0 GEADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)cc1Cl ZINC000823392193 606764153 /nfs/dbraw/zinc/76/41/53/606764153.db2.gz MWFLZMAAAYZHNW-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL O=S(=O)([N-]c1ccccc1OCC(F)F)c1ccccc1-c1nnn[n-]1 ZINC000823589124 606789137 /nfs/dbraw/zinc/78/91/37/606789137.db2.gz OKBUPTGBZRVGKG-UHFFFAOYSA-N -2 3 381.364 2.311 20 0 GEADHL O=S(=O)([N-]c1ccccc1OCC(F)F)c1ccccc1-c1nn[n-]n1 ZINC000823589124 606789138 /nfs/dbraw/zinc/78/91/38/606789138.db2.gz OKBUPTGBZRVGKG-UHFFFAOYSA-N -2 3 381.364 2.311 20 0 GEADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2cccc3cccnc32)c1 ZINC000821589268 606820052 /nfs/dbraw/zinc/82/00/52/606820052.db2.gz GLFZDYRWVCMNDC-UHFFFAOYSA-N -2 3 395.448 2.282 20 0 GEADHL C[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820254461 606882465 /nfs/dbraw/zinc/88/24/65/606882465.db2.gz PVBKCJWFNIUBHU-LLVKDONJSA-N -2 3 393.419 2.445 20 0 GEADHL O=S(=O)([N-][C@H]1CCc2c1cccc2F)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572541 606888864 /nfs/dbraw/zinc/88/88/64/606888864.db2.gz ISBRAPDSYVSCPQ-AWEZNQCLSA-N -2 3 395.366 2.250 20 0 GEADHL O=S(=O)([N-]C/C=C/c1ccccc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572898 606891035 /nfs/dbraw/zinc/89/10/35/606891035.db2.gz OOWVCJOTEWSSSF-QPJJXVBHSA-N -2 3 377.376 2.137 20 0 GEADHL O=S(=O)([N-][C@H]1C[C@H]1Cc1ccccc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823573754 606893226 /nfs/dbraw/zinc/89/32/26/606893226.db2.gz YQSDHUDSRCYZBE-ABAIWWIYSA-N -2 3 391.403 2.054 20 0 GEADHL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822202138 606981034 /nfs/dbraw/zinc/98/10/34/606981034.db2.gz MXBIHVBGTZDUON-UHFFFAOYSA-N -2 3 386.771 2.303 20 0 GEADHL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822202138 606981036 /nfs/dbraw/zinc/98/10/36/606981036.db2.gz MXBIHVBGTZDUON-UHFFFAOYSA-N -2 3 386.771 2.303 20 0 GEADHL CCCC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCC1 ZINC000821028376 607097107 /nfs/dbraw/zinc/09/71/07/607097107.db2.gz UTUGOIOCCFTEDB-UHFFFAOYSA-N -2 3 383.861 2.295 20 0 GEADHL CCCC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CCC1 ZINC000821028376 607097108 /nfs/dbraw/zinc/09/71/08/607097108.db2.gz UTUGOIOCCFTEDB-UHFFFAOYSA-N -2 3 383.861 2.295 20 0 GEADHL O=S(=O)([N-]c1nnc(-c2ccsc2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823589127 607153060 /nfs/dbraw/zinc/15/30/60/607153060.db2.gz ONDLCUQBRIPMMS-UHFFFAOYSA-N -2 3 391.463 2.248 20 0 GEADHL O=S(=O)([N-]c1nnc(-c2ccsc2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823589127 607153061 /nfs/dbraw/zinc/15/30/61/607153061.db2.gz ONDLCUQBRIPMMS-UHFFFAOYSA-N -2 3 391.463 2.248 20 0 GEADHL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000821698562 607155415 /nfs/dbraw/zinc/15/54/15/607155415.db2.gz PCCUOMRNXDLGCW-UHFFFAOYSA-N -2 3 385.327 2.093 20 0 GEADHL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000821698562 607155416 /nfs/dbraw/zinc/15/54/16/607155416.db2.gz PCCUOMRNXDLGCW-UHFFFAOYSA-N -2 3 385.327 2.093 20 0 GEADHL CC(C)c1cccc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nnn[n-]2)c1 ZINC000824352404 607806198 /nfs/dbraw/zinc/80/61/98/607806198.db2.gz CKIWFRRIQPFBPG-UHFFFAOYSA-N -2 3 377.451 2.170 20 0 GEADHL CC(C)c1cccc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nn[n-]n2)c1 ZINC000824352404 607806199 /nfs/dbraw/zinc/80/61/99/607806199.db2.gz CKIWFRRIQPFBPG-UHFFFAOYSA-N -2 3 377.451 2.170 20 0 GEADHL Cc1ccc(S(=O)(=O)N(C)c2cccc(-c3nnn[n-]3)c2)c(C)c1C(=O)[O-] ZINC000826292939 607809583 /nfs/dbraw/zinc/80/95/83/607809583.db2.gz TXXQEQKCLXNPSC-UHFFFAOYSA-N -2 3 387.421 2.007 20 0 GEADHL Cc1ccc(S(=O)(=O)N(C)c2cccc(-c3nn[n-]n3)c2)c(C)c1C(=O)[O-] ZINC000826292939 607809584 /nfs/dbraw/zinc/80/95/84/607809584.db2.gz TXXQEQKCLXNPSC-UHFFFAOYSA-N -2 3 387.421 2.007 20 0 GEADHL CC1(C)CCC[C@H](CC(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824802017 607922218 /nfs/dbraw/zinc/92/22/18/607922218.db2.gz JVDDKASQBDVRCW-GFCCVEGCSA-N -2 3 377.470 2.278 20 0 GEADHL CC1(C)CCC[C@H](CC(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824802017 607922219 /nfs/dbraw/zinc/92/22/19/607922219.db2.gz JVDDKASQBDVRCW-GFCCVEGCSA-N -2 3 377.470 2.278 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1c[nH]nc1-c1ccccc1 ZINC000826280133 608057682 /nfs/dbraw/zinc/05/76/82/608057682.db2.gz ORGTUWBNBKLXBC-UHFFFAOYSA-N -2 3 381.421 2.366 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1c[nH]nc1-c1ccccc1 ZINC000826280133 608057683 /nfs/dbraw/zinc/05/76/83/608057683.db2.gz ORGTUWBNBKLXBC-UHFFFAOYSA-N -2 3 381.421 2.366 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cn(C)nc1-c1ccccc1 ZINC000826279858 608308760 /nfs/dbraw/zinc/30/87/60/608308760.db2.gz FFFRUFXXMVLKQH-UHFFFAOYSA-N -2 3 395.448 2.376 20 0 GEADHL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826233751 608872137 /nfs/dbraw/zinc/87/21/37/608872137.db2.gz UVEWFQBJISCRIO-UHFFFAOYSA-N -2 3 389.775 2.290 20 0 GEADHL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826233751 608872139 /nfs/dbraw/zinc/87/21/39/608872139.db2.gz UVEWFQBJISCRIO-UHFFFAOYSA-N -2 3 389.775 2.290 20 0 GEADHL O=S(=O)([N-]c1cnoc1-c1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826492928 609156716 /nfs/dbraw/zinc/15/67/16/609156716.db2.gz LFPOKYBHWRSURX-UHFFFAOYSA-N -2 3 386.368 2.462 20 0 GEADHL O=S(=O)([N-]c1cnoc1-c1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826492928 609156718 /nfs/dbraw/zinc/15/67/18/609156718.db2.gz LFPOKYBHWRSURX-UHFFFAOYSA-N -2 3 386.368 2.462 20 0 GEADHL Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826255736 609273999 /nfs/dbraw/zinc/27/39/99/609273999.db2.gz ILWLRWWYIKAQBO-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826255736 609274001 /nfs/dbraw/zinc/27/40/01/609274001.db2.gz ILWLRWWYIKAQBO-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826333212 609274120 /nfs/dbraw/zinc/27/41/20/609274120.db2.gz YWSTUXLJZVAKDK-UHFFFAOYSA-N -2 3 399.411 2.301 20 0 GEADHL Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826333212 609274121 /nfs/dbraw/zinc/27/41/21/609274121.db2.gz YWSTUXLJZVAKDK-UHFFFAOYSA-N -2 3 399.411 2.301 20 0 GEADHL COCc1ccccc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826164987 609448459 /nfs/dbraw/zinc/44/84/59/609448459.db2.gz AFTPRZDMZCEMTC-UHFFFAOYSA-N -2 3 379.829 2.467 20 0 GEADHL Cc1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)c1-c1nn[n-]n1 ZINC000826299395 609459315 /nfs/dbraw/zinc/45/93/15/609459315.db2.gz CJNTYOMXEFQGEJ-UHFFFAOYSA-N -2 3 384.343 2.390 20 0 GEADHL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cccc(C)c1-c1nn[n-]n1 ZINC000826299693 609500100 /nfs/dbraw/zinc/50/01/00/609500100.db2.gz QIAMCTMEGRLENG-UHFFFAOYSA-N -2 3 389.485 2.445 20 0 GEADHL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826282545 609524250 /nfs/dbraw/zinc/52/42/50/609524250.db2.gz UDMJVZAACBWQPY-UHFFFAOYSA-N -3 3 393.812 2.328 20 0 GEADHL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826282545 609524253 /nfs/dbraw/zinc/52/42/53/609524253.db2.gz UDMJVZAACBWQPY-UHFFFAOYSA-N -3 3 393.812 2.328 20 0 GEADHL COc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cc(OC)c1 ZINC000826181325 609524456 /nfs/dbraw/zinc/52/44/56/609524456.db2.gz UYJYMRPVMQBTCX-UHFFFAOYSA-N -2 3 395.828 2.338 20 0 GEADHL COc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cc(OC)c1 ZINC000826181325 609524458 /nfs/dbraw/zinc/52/44/58/609524458.db2.gz UYJYMRPVMQBTCX-UHFFFAOYSA-N -2 3 395.828 2.338 20 0 GEADHL CC(C)(C)CC[C@@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000449132782 650032321 /nfs/dbraw/zinc/03/23/21/650032321.db2.gz BLOKWUUTIXPGAF-SECBINFHSA-N -2 3 396.918 2.076 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2O)cc1F ZINC000532769072 650753127 /nfs/dbraw/zinc/75/31/27/650753127.db2.gz RFHJPAJWRIOWGN-UHFFFAOYSA-N -2 3 394.833 2.357 20 0 GEADHL COc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1[N-]S(C)(=O)=O ZINC000044259389 642572690 /nfs/dbraw/zinc/57/26/90/642572690.db2.gz JDSWHMSYPSRVMH-UHFFFAOYSA-N -2 3 392.405 2.146 20 0 GEADHL COc1ccc(S(=O)(=O)[N-][N-]C(=O)NCCc2cccs2)cc1Cl ZINC000068406257 642996001 /nfs/dbraw/zinc/99/60/01/642996001.db2.gz WLLYCNBPODSQMF-UHFFFAOYSA-N -2 3 389.886 2.145 20 0 GEADHL C[N-]S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(CC3CCCCC3)s2)o1 ZINC000103455271 643166931 /nfs/dbraw/zinc/16/69/31/643166931.db2.gz RLMPRUAOEZPRBG-UHFFFAOYSA-N -2 3 384.483 2.414 20 0 GEADHL Cc1nc(C[N-]S(=O)(=O)c2ccc(Br)s2)sc1C(=O)[O-] ZINC000110789023 643319621 /nfs/dbraw/zinc/31/96/21/643319621.db2.gz MHQMJDWJQAKWCN-UHFFFAOYSA-N -2 3 397.297 2.452 20 0 GEADHL CCCc1cnc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)s1 ZINC000539554328 650844551 /nfs/dbraw/zinc/84/45/51/650844551.db2.gz RGWPDVBBWGBDGG-UHFFFAOYSA-N -2 3 393.487 2.407 20 0 GEADHL CCc1cc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Br)c2)on1 ZINC000544929347 650958626 /nfs/dbraw/zinc/95/86/26/650958626.db2.gz JONVHLNUPJSCCP-UHFFFAOYSA-N -2 3 389.227 2.176 20 0 GEADHL O=C([N-]NC(=O)c1cc(Cl)ccc1[O-])c1nc(Br)cs1 ZINC000191969194 645186842 /nfs/dbraw/zinc/18/68/42/645186842.db2.gz QZFJRQGROOXZDB-UHFFFAOYSA-N -2 3 376.619 2.339 20 0 GEADHL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000194368700 645324499 /nfs/dbraw/zinc/32/44/99/645324499.db2.gz KGEBVGLFNZSBFA-NSHDSACASA-N -2 3 397.191 2.474 20 0 GEADHL CCCSC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000547595027 651037672 /nfs/dbraw/zinc/03/76/72/651037672.db2.gz IHINUABRTCJWEY-SECBINFHSA-N -2 3 382.847 2.123 20 0 GEADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)Oc1ccc(F)cc1 ZINC000547894968 651052294 /nfs/dbraw/zinc/05/22/94/651052294.db2.gz NUJAXDLYXVHXSP-CYBMUJFWSA-N -2 3 391.779 2.429 20 0 GEADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@](C)(CC(=O)[O-])C(=O)[O-] ZINC000547935010 651056714 /nfs/dbraw/zinc/05/67/14/651056714.db2.gz NXLTUNXUCSHZKG-HNNXBMFYSA-N -3 3 389.813 2.239 20 0 GEADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](C)CCC[C@@H](C)C(=O)[O-])s1 ZINC000547936252 651057037 /nfs/dbraw/zinc/05/70/37/651057037.db2.gz IKNDWDZLWALQJX-NXEZZACHSA-N -2 3 393.483 2.101 20 0 GEADHL CC(C)(CC[N-]S(=O)(=O)c1ccc(Br)cn1)CCC(=O)[O-] ZINC000547938697 651057616 /nfs/dbraw/zinc/05/76/16/651057616.db2.gz GVRYPPJBSAPMFL-UHFFFAOYSA-N -2 3 379.276 2.404 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCCSC2)c(Br)o1 ZINC000324255653 647300175 /nfs/dbraw/zinc/30/01/75/647300175.db2.gz IQZSETZCXYCIGY-ZETCQYMHSA-N -2 3 384.273 2.162 20 0 GEADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Br)cc1F)CC1CC1 ZINC000405243347 647909544 /nfs/dbraw/zinc/90/95/44/647909544.db2.gz XOTYZECNMKEEGQ-VIFPVBQESA-N -2 3 380.235 2.367 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654275849 /nfs/dbraw/zinc/27/58/49/654275849.db2.gz IMXKRDYVPHQVMC-VIFPVBQESA-N -2 3 378.219 2.348 20 0 GEADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H]1CC=C(C(=O)[O-])C1 ZINC000853069991 654276184 /nfs/dbraw/zinc/27/61/84/654276184.db2.gz UGRMGZGPTMXEPH-QMMMGPOBSA-N -2 3 394.218 2.049 20 0 GEADHL COCC1([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)CCC1 ZINC000871958760 654291384 /nfs/dbraw/zinc/29/13/84/654291384.db2.gz JJKUTQIDZBPLRO-UHFFFAOYSA-N -2 3 384.273 2.056 20 0 GEADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-][C@H]2CO[C@H](C3CC3)C2)s1 ZINC000872001119 654308089 /nfs/dbraw/zinc/30/80/89/654308089.db2.gz VIXKZOFMBOVEQS-APPZFPTMSA-N -2 3 396.284 2.055 20 0 GEADHL CSC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000906004008 654399693 /nfs/dbraw/zinc/39/96/93/654399693.db2.gz CLNQYCKAOKADBC-MRVPVSSYSA-N -2 3 388.692 2.197 20 0 GEADHL CCCc1cc(=O)[n-]c(SCC(=O)c2ccc([N-]S(C)(=O)=O)cc2)n1 ZINC000006975588 531534224 /nfs/dbraw/zinc/53/42/24/531534224.db2.gz PCZLGMARCRXHCM-UHFFFAOYSA-N -2 3 381.479 2.069 20 0 GEADHL Cc1cccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)c1F ZINC000180022877 532254294 /nfs/dbraw/zinc/25/42/94/532254294.db2.gz INJPUUDBFZYFFH-UHFFFAOYSA-N -2 3 376.406 2.446 20 0 GEADHL C[N-]S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(/C=C/c3ccco3)s2)o1 ZINC000134427676 532256172 /nfs/dbraw/zinc/25/61/72/532256172.db2.gz ZABKFRSJAQTYFW-GQCTYLIASA-N -2 3 380.407 2.055 20 0 GEADHL C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000135571540 532275605 /nfs/dbraw/zinc/27/56/05/532275605.db2.gz WFXAFLHNEBATFU-YPMHNXCESA-N -2 3 377.260 2.156 20 0 GEADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2CCN(c3c(F)cccc3F)C2)c1 ZINC000185099198 532336813 /nfs/dbraw/zinc/33/68/13/532336813.db2.gz LXOURRJBZXNJPQ-SNVBAGLBSA-N -2 3 388.417 2.282 20 0 GEADHL C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)CN1C1CC1 ZINC000185106218 532336821 /nfs/dbraw/zinc/33/68/21/532336821.db2.gz DEDXPNCSOOOWRE-IUCAKERBSA-N -2 3 376.837 2.081 20 0 GEADHL CO[C@@H](CS(=O)(=O)[N-]c1cc(Br)cc(C(=O)[O-])c1N)C(C)C ZINC000647132697 532368439 /nfs/dbraw/zinc/36/84/39/532368439.db2.gz ROOGKFISIOCZRU-NSHDSACASA-N -2 3 395.275 2.142 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)[C@@H]1CCOC2(CCC2)C1 ZINC000372263147 532379950 /nfs/dbraw/zinc/37/99/50/532379950.db2.gz UYAIDGCMOGWYMH-QMTHXVAHSA-N -2 3 375.393 2.046 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(C(=O)N=c2nc([C@H](C)OC)[n-]s2)cc1 ZINC000559051409 532400879 /nfs/dbraw/zinc/40/08/79/532400879.db2.gz GLHZTSAMBSKHOI-JTQLQIEISA-N -2 3 384.483 2.071 20 0 GEADHL CC[C@@H](CC[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC)C(=O)[O-] ZINC000560492846 532418152 /nfs/dbraw/zinc/41/81/52/532418152.db2.gz FFYYWCFRTFWVOK-QMMMGPOBSA-N -2 3 398.250 2.376 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)[C@H](C(=O)[O-])C(C)C)c(Cl)c1 ZINC000591743639 532421439 /nfs/dbraw/zinc/42/14/39/532421439.db2.gz WTKNEYYBRQDKNJ-NOZJJQNGSA-N -2 3 377.846 2.150 20 0 GEADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(CS(C)(=O)=O)cc1 ZINC000466344876 532424603 /nfs/dbraw/zinc/42/46/03/532424603.db2.gz CGZMSPNJLSIVTH-UHFFFAOYSA-N -2 3 383.447 2.039 20 0 GEADHL CC(C)(C[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2)CC(=O)[O-] ZINC000681576756 532431496 /nfs/dbraw/zinc/43/14/96/532431496.db2.gz VXVYOSLUBHIDJO-UHFFFAOYSA-N -2 3 392.271 2.163 20 0 GEADHL COC1(C[C@H]([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)C(=O)[O-])CCC1 ZINC000650432833 532447296 /nfs/dbraw/zinc/44/72/96/532447296.db2.gz JIXATMANOPSESU-LBPRGKRZSA-N -2 3 379.837 2.478 20 0 GEADHL CO[C@@H](CS(=O)(=O)[N-]c1cc(I)ccc1[O-])C(C)C ZINC000592353817 532452128 /nfs/dbraw/zinc/45/21/28/532452128.db2.gz XCJIOYKPZGWQGV-LBPRGKRZSA-N -2 3 399.250 2.410 20 0 GEADHL CCc1cc(=O)[n-]c(S[C@@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)n1 ZINC000428703984 532458783 /nfs/dbraw/zinc/45/87/83/532458783.db2.gz YUWPPUGEEMVPFT-JTQLQIEISA-N -2 3 381.479 2.480 20 0 GEADHL CS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1cnc2ccccc2c1 ZINC000430985523 532503083 /nfs/dbraw/zinc/50/30/83/532503083.db2.gz WRQFMBQUIQFFJC-UHFFFAOYSA-N -2 3 377.447 2.407 20 0 GEADHL CO[C@@H](CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)C(F)(F)F ZINC000469477656 532503709 /nfs/dbraw/zinc/50/37/09/532503709.db2.gz IUAHEROSVAHTLC-JTQLQIEISA-N -2 3 375.752 2.284 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)[C@@H]1CCCO1 ZINC000630421376 532518945 /nfs/dbraw/zinc/51/89/45/532518945.db2.gz DUKLTCFYRKVJPE-KWQFWETISA-N -2 3 398.662 2.013 20 0 GEADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2cccc(Cn3ccnc3)c2)c1 ZINC000237964336 532515356 /nfs/dbraw/zinc/51/53/56/532515356.db2.gz XBFGTHZPJAWUKV-UHFFFAOYSA-N -2 3 377.447 2.170 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)[C@@H]1CCCO1 ZINC000630420990 532518343 /nfs/dbraw/zinc/51/83/43/532518343.db2.gz BAZYMGNYDBFILZ-GXSJLCMTSA-N -2 3 387.763 2.269 20 0 GEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCC[C@H]1OC ZINC000564923383 532538070 /nfs/dbraw/zinc/53/80/70/532538070.db2.gz IMJYTNRPTGYZDB-BXKDBHETSA-N -2 3 377.846 2.140 20 0 GEADHL COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](C)CC(=O)[O-] ZINC000526060756 532539809 /nfs/dbraw/zinc/53/98/09/532539809.db2.gz YDRUOEOCYMAOMA-WDEREUQCSA-N -2 3 379.862 2.143 20 0 GEADHL C[N-]S(=O)(=O)c1ccc(CNC(=O)c2cc3ccccc3cc2[O-])s1 ZINC000247969906 532550216 /nfs/dbraw/zinc/55/02/16/532550216.db2.gz UGMGAMUZLALXQB-UHFFFAOYSA-N -2 3 376.459 2.445 20 0 GEADHL C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000296955323 532556102 /nfs/dbraw/zinc/55/61/02/532556102.db2.gz NJCULNGRXYWGRR-ZETCQYMHSA-N -2 3 385.667 2.419 20 0 GEADHL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)c1 ZINC000283805918 532559062 /nfs/dbraw/zinc/55/90/62/532559062.db2.gz CFYYWOWEMNHGOA-YGRLFVJLSA-N -2 3 391.873 2.478 20 0 GEADHL CC[N-]S(=O)(=O)c1cc(F)ccc1[N-]S(=O)(=O)Cc1ccc(C)cc1 ZINC000565386694 532561076 /nfs/dbraw/zinc/56/10/76/532561076.db2.gz SHRLAGKCPJGFAR-UHFFFAOYSA-N -2 3 386.470 2.374 20 0 GEADHL Cc1cc(C[N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(Cl)c2)on1 ZINC000565060907 532547530 /nfs/dbraw/zinc/54/75/30/532547530.db2.gz QKXOYWHYATYIRB-UHFFFAOYSA-N -2 3 388.829 2.359 20 0 GEADHL Cc1c(C[S@@](C)=O)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000433505507 532572463 /nfs/dbraw/zinc/57/24/63/532572463.db2.gz IJKYOIAJRAFFOO-XMMPIXPASA-N -3 3 383.447 2.078 20 0 GEADHL COc1ccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)c(C)c1 ZINC000433600723 532573753 /nfs/dbraw/zinc/57/37/53/532573753.db2.gz SYMBQSNHJHHHPJ-UHFFFAOYSA-N -2 3 388.442 2.315 20 0 GEADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000297272779 532577291 /nfs/dbraw/zinc/57/72/91/532577291.db2.gz SQZHNRJKTQFQQW-SNVBAGLBSA-N -2 3 380.260 2.379 20 0 GEADHL CCCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C(=O)[O-] ZINC000262665111 532596410 /nfs/dbraw/zinc/59/64/10/532596410.db2.gz MZXAPAPWCGQNLA-LLVKDONJSA-N -2 3 380.825 2.359 20 0 GEADHL CO[C@@H](CS(=O)(=O)[N-]c1cc(Cl)c(Cl)c(C(=O)[O-])c1)[C@H]1CCOC1 ZINC000656625170 532627251 /nfs/dbraw/zinc/62/72/51/532627251.db2.gz XTNCNVNRIYFMMZ-UFBFGSQYSA-N -2 3 398.264 2.485 20 0 GEADHL CO[C@@H](CS(=O)(=O)[N-]c1cc(C(=O)[O-])c(Cl)cc1C)[C@@H]1CCOC1 ZINC000656630881 532628184 /nfs/dbraw/zinc/62/81/84/532628184.db2.gz GDHINULGGCDGIG-YGRLFVJLSA-N -2 3 377.846 2.140 20 0 GEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCO[C@@H](C)C1 ZINC000386811588 532704564 /nfs/dbraw/zinc/70/45/64/532704564.db2.gz PYMGMPWKPIMDJJ-VHSXEESVSA-N -2 3 377.846 2.140 20 0 GEADHL CCC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl)C(=O)[O-] ZINC000575060098 532717215 /nfs/dbraw/zinc/71/72/15/532717215.db2.gz WTQKAXYLQBFTBK-LBPRGKRZSA-N -2 3 377.846 2.294 20 0 GEADHL Cc1nc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2[N-]S(C)(=O)=O)s1 ZINC000267519878 532743757 /nfs/dbraw/zinc/74/37/57/532743757.db2.gz XIXXXHLNYHXIOY-UHFFFAOYSA-N -2 3 375.497 2.241 20 0 GEADHL CC(C)(C)OCC[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)[O-] ZINC000581010198 532753438 /nfs/dbraw/zinc/75/34/38/532753438.db2.gz ZYPYTKSNQMZKRW-SNVBAGLBSA-N -2 3 384.376 2.037 20 0 GEADHL CCC[C@@H](C[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F)OC ZINC000451640272 532768862 /nfs/dbraw/zinc/76/88/62/532768862.db2.gz OHFAPSJZDAMMJT-ZDUSSCGKSA-N -2 3 396.506 2.071 20 0 GEADHL N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CC(=O)c1cccs1)C(=O)[O-] ZINC000547570745 532786782 /nfs/dbraw/zinc/78/67/82/532786782.db2.gz ZUDFIKMHPCAEEA-LLVKDONJSA-N -2 3 398.849 2.278 20 0 GEADHL O=C([O-])[C@@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000547570290 532787041 /nfs/dbraw/zinc/78/70/41/532787041.db2.gz UMBMJDOIWSUPAS-LLVKDONJSA-N -2 3 375.374 2.031 20 0 GEADHL N#Cc1ccc(S(=O)(=O)[N-][C@H](CC(=O)c2cccs2)C(=O)[O-])c(Cl)c1 ZINC000547571050 532787103 /nfs/dbraw/zinc/78/71/03/532787103.db2.gz RMQLAGHDQUEFEW-LLVKDONJSA-N -2 3 398.849 2.278 20 0 GEADHL CCC[C@@H](O)[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000547613487 532787342 /nfs/dbraw/zinc/78/73/42/532787342.db2.gz ZDDKULVPNLTOGN-MWLCHTKSSA-N -2 3 389.779 2.251 20 0 GEADHL NC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Br)cc1 ZINC000322788467 532788652 /nfs/dbraw/zinc/78/86/52/532788652.db2.gz LGXDFGYKMMEIAB-UHFFFAOYSA-N -2 3 399.222 2.047 20 0 GEADHL CC(C)(C)OC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000325243206 532789587 /nfs/dbraw/zinc/78/95/87/532789587.db2.gz DYEKRFQUAZPOJK-NSHDSACASA-N -2 3 398.264 2.457 20 0 GEADHL CCCSC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl)C(=O)[O-] ZINC000548578789 532792066 /nfs/dbraw/zinc/79/20/66/532792066.db2.gz CNKUQOGHKOSJPF-NSHDSACASA-N -2 3 395.886 2.001 20 0 GEADHL O=C([O-])[C@H](O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000549551771 532794749 /nfs/dbraw/zinc/79/47/49/532794749.db2.gz PKMQXAWHMWTACC-ZWNOBZJWSA-N -2 3 381.903 2.464 20 0 GEADHL CC(C)(C)c1csc(C[N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)n1 ZINC000273713128 532832048 /nfs/dbraw/zinc/83/20/48/532832048.db2.gz PJLOXEHZEPJWQI-UHFFFAOYSA-N -2 3 384.479 2.383 20 0 GEADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]C[C@@H]2CCCCO2)s1 ZINC000273758742 532833812 /nfs/dbraw/zinc/83/38/12/532833812.db2.gz WCVBVCRETDWRKP-ZETCQYMHSA-N -2 3 384.273 2.056 20 0 GEADHL CCS(=O)(=O)c1ccc(C(=O)[O-])c([N-]S(=O)(=O)CC2CCCC2)c1 ZINC000273822564 532835052 /nfs/dbraw/zinc/83/50/52/532835052.db2.gz CTZOSDVTTHVPTD-UHFFFAOYSA-N -2 3 375.468 2.110 20 0 GEADHL COc1ccc(Br)c(S(=O)(=O)[N-]C[C@H](C(=O)[O-])C(C)C)c1 ZINC000275076667 532863117 /nfs/dbraw/zinc/86/31/17/532863117.db2.gz XUKWNQOAXNMOLC-JTQLQIEISA-N -2 3 380.260 2.093 20 0 GEADHL O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc(Br)cn2)CC1 ZINC000275191601 532867893 /nfs/dbraw/zinc/86/78/93/532867893.db2.gz FQBZBPBDPROGKK-MGCOHNPYSA-N -2 3 377.260 2.013 20 0 GEADHL Cc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000275265478 532870485 /nfs/dbraw/zinc/87/04/85/532870485.db2.gz MSPLOBDMDDYSLU-SECBINFHSA-N -2 3 378.244 2.376 20 0 GEADHL O=C([O-])[C@H](CC(F)F)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000275319296 532872706 /nfs/dbraw/zinc/87/27/06/532872706.db2.gz SDHFHUWONGHRHH-ZETCQYMHSA-N -2 3 392.605 2.489 20 0 GEADHL CC[C@H](CS(=O)(=O)[N-]c1cc(OC)c(OC(F)F)cc1C(=O)[O-])OC ZINC000421156112 532888842 /nfs/dbraw/zinc/88/88/42/532888842.db2.gz PMBZOYYVUXDWKQ-MRVPVSSYSA-N -2 3 383.369 2.162 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cc(C3CC3)ccn2)cc1F ZINC000290973917 532893768 /nfs/dbraw/zinc/89/37/68/532893768.db2.gz QHDLHFUOOBAENO-UHFFFAOYSA-N -2 3 385.442 2.270 20 0 GEADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCN(C3CCCCC3)C2)s1 ZINC000364131405 532903978 /nfs/dbraw/zinc/90/39/78/532903978.db2.gz VWPQFILDJQXLDG-CYBMUJFWSA-N -2 3 386.539 2.451 20 0 GEADHL O=C([O-])[C@@]1([N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)CCOC1 ZINC000367254376 532924025 /nfs/dbraw/zinc/92/40/25/532924025.db2.gz VUQINRRZVYGGKH-MRXNPFEDSA-N -2 3 389.857 2.041 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cccc1C(=O)[O-] ZINC000737217964 598866957 /nfs/dbraw/zinc/86/69/57/598866957.db2.gz ITBCKHSQKCJJNH-UHFFFAOYSA-N -3 3 393.812 2.328 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cccc1C(=O)[O-] ZINC000737217964 598866959 /nfs/dbraw/zinc/86/69/59/598866959.db2.gz ITBCKHSQKCJJNH-UHFFFAOYSA-N -3 3 393.812 2.328 20 0 GEADHL Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000737300653 598931705 /nfs/dbraw/zinc/93/17/05/598931705.db2.gz DOPUSUMHHHWOPI-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000737300653 598931706 /nfs/dbraw/zinc/93/17/06/598931706.db2.gz DOPUSUMHHHWOPI-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000737226348 598950683 /nfs/dbraw/zinc/95/06/83/598950683.db2.gz WUPFBJOEMDJKKO-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000737226348 598950684 /nfs/dbraw/zinc/95/06/84/598950684.db2.gz WUPFBJOEMDJKKO-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cccc1-c1nn[n-]n1 ZINC000822121858 607255195 /nfs/dbraw/zinc/25/51/95/607255195.db2.gz HSSDGFGMDFGUCH-UHFFFAOYSA-N -3 3 393.812 2.328 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1ccc(Cl)s1 ZINC000737300079 598975080 /nfs/dbraw/zinc/97/50/80/598975080.db2.gz WHXXQQCPPJMQOP-UHFFFAOYSA-N -2 3 383.842 2.009 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1ccc(Cl)s1 ZINC000737300079 598975081 /nfs/dbraw/zinc/97/50/81/598975081.db2.gz WHXXQQCPPJMQOP-UHFFFAOYSA-N -2 3 383.842 2.009 20 0 GEADHL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1C ZINC000737295936 599018537 /nfs/dbraw/zinc/01/85/37/599018537.db2.gz BVNMDUXISLLYEF-UHFFFAOYSA-N -2 3 375.458 2.370 20 0 GEADHL CCCS(=O)(=O)[N-]C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736497470 599027897 /nfs/dbraw/zinc/02/78/97/599027897.db2.gz IFISVFVPVITNGC-UHFFFAOYSA-N -2 3 386.437 2.080 20 0 GEADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccc(N2CCCCC2)cn1 ZINC000737226054 599030199 /nfs/dbraw/zinc/03/01/99/599030199.db2.gz ZUAQARABXSPCQA-UHFFFAOYSA-N -2 3 399.480 2.361 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccc(N2CCCCC2)cn1 ZINC000737226054 599030201 /nfs/dbraw/zinc/03/02/01/599030201.db2.gz ZUAQARABXSPCQA-UHFFFAOYSA-N -2 3 399.480 2.361 20 0 GEADHL CCCC=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000736437028 599218502 /nfs/dbraw/zinc/21/85/02/599218502.db2.gz CQLUZGWDLKYDCP-SNAWJCMRSA-N -2 3 389.359 2.047 20 0 GEADHL CCCC=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000736437028 599218504 /nfs/dbraw/zinc/21/85/04/599218504.db2.gz CQLUZGWDLKYDCP-SNAWJCMRSA-N -2 3 389.359 2.047 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)NC(C)(C)CCC(=O)[O-])cc1OC ZINC000263513777 596982645 /nfs/dbraw/zinc/98/26/45/596982645.db2.gz YVVZLTXAHPEXPK-UHFFFAOYSA-N -2 3 387.458 2.222 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])cc1Cl ZINC000261694791 597054793 /nfs/dbraw/zinc/05/47/93/597054793.db2.gz NLQHKHDICCDJSY-LBPRGKRZSA-N -2 3 380.825 2.215 20 0 GEADHL O=C([O-])[C@@H]1CCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000821400024 597654357 /nfs/dbraw/zinc/65/43/57/597654357.db2.gz WDEHIPUYQXKNNJ-AEFFLSMTSA-N -2 3 382.416 2.187 20 0 GEADHL CC(C)[C@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(=O)[O-] ZINC000820049102 597655351 /nfs/dbraw/zinc/65/53/51/597655351.db2.gz BQFVJDJMDLRUPU-MJGOQNOKSA-N -2 3 384.432 2.479 20 0 GEADHL CC(=O)NCCN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])[C@H](C)C(=O)[O-] ZINC000819753112 597692381 /nfs/dbraw/zinc/69/23/81/597692381.db2.gz OVPZPCARCKHWTB-CYBMUJFWSA-N -2 3 386.404 2.236 20 0 GEADHL CC(C)(Cc1ccccc1)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735671289 599281922 /nfs/dbraw/zinc/28/19/22/599281922.db2.gz RJRFOXKLUQMRFC-UHFFFAOYSA-N -2 3 399.476 2.082 20 0 GEADHL CC(C)(Cc1ccccc1)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735671289 599281925 /nfs/dbraw/zinc/28/19/25/599281925.db2.gz RJRFOXKLUQMRFC-UHFFFAOYSA-N -2 3 399.476 2.082 20 0 GEADHL Cn1cnc(S(=O)(=O)[N-]c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000737617778 598283674 /nfs/dbraw/zinc/28/36/74/598283674.db2.gz AQSZAVNGOBTZAO-UHFFFAOYSA-N -2 3 397.420 2.193 20 0 GEADHL C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000735974314 598306586 /nfs/dbraw/zinc/30/65/86/598306586.db2.gz GOSHDHYESOXMIF-LBPRGKRZSA-N -2 3 377.470 2.278 20 0 GEADHL C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000735974314 598306587 /nfs/dbraw/zinc/30/65/87/598306587.db2.gz GOSHDHYESOXMIF-LBPRGKRZSA-N -2 3 377.470 2.278 20 0 GEADHL O=S(=O)([N-]c1cccnc1N1CCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738342764 598333860 /nfs/dbraw/zinc/33/38/60/598333860.db2.gz PMKCELNXKMALTO-UHFFFAOYSA-N -2 3 385.453 2.053 20 0 GEADHL Cc1noc2ncc(S(=O)(=O)[N-]c3ccc(Cl)c(-c4nnn[n-]4)c3)cc12 ZINC000737548108 598366901 /nfs/dbraw/zinc/36/69/01/598366901.db2.gz RVJLGGDGPAYYCF-UHFFFAOYSA-N -2 3 391.800 2.166 20 0 GEADHL Cc1noc2ncc(S(=O)(=O)[N-]c3ccc(Cl)c(-c4nn[n-]n4)c3)cc12 ZINC000737548108 598366905 /nfs/dbraw/zinc/36/69/05/598366905.db2.gz RVJLGGDGPAYYCF-UHFFFAOYSA-N -2 3 391.800 2.166 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1OCC(F)F ZINC000737362737 598367057 /nfs/dbraw/zinc/36/70/57/598367057.db2.gz UFDDQGUUZNCLIP-UHFFFAOYSA-N -2 3 396.379 2.015 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1OCC(F)F ZINC000737362737 598367058 /nfs/dbraw/zinc/36/70/58/598367058.db2.gz UFDDQGUUZNCLIP-UHFFFAOYSA-N -2 3 396.379 2.015 20 0 GEADHL Cc1cccc(Cn2nccc2[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737397596 598437898 /nfs/dbraw/zinc/43/78/98/598437898.db2.gz ZFECQLZURFMUAM-UHFFFAOYSA-N -2 3 395.448 2.221 20 0 GEADHL Cc1cccc(Cn2nccc2[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737397596 598437899 /nfs/dbraw/zinc/43/78/99/598437899.db2.gz ZFECQLZURFMUAM-UHFFFAOYSA-N -2 3 395.448 2.221 20 0 GEADHL O=S(=O)([N-]c1ccnn1CCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738339645 598438792 /nfs/dbraw/zinc/43/87/92/598438792.db2.gz OUSUNHKMJLFBHS-UHFFFAOYSA-N -2 3 395.448 2.107 20 0 GEADHL O=S(=O)([N-]c1ccnn1CCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738339645 598438794 /nfs/dbraw/zinc/43/87/94/598438794.db2.gz OUSUNHKMJLFBHS-UHFFFAOYSA-N -2 3 395.448 2.107 20 0 GEADHL CCc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736690969 598535997 /nfs/dbraw/zinc/53/59/97/598535997.db2.gz XCQMYMBRGWOCAZ-LBPRGKRZSA-N -2 3 385.449 2.038 20 0 GEADHL CCc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736690969 598535999 /nfs/dbraw/zinc/53/59/99/598535999.db2.gz XCQMYMBRGWOCAZ-LBPRGKRZSA-N -2 3 385.449 2.038 20 0 GEADHL CC[C@H](CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736334193 598784852 /nfs/dbraw/zinc/78/48/52/598784852.db2.gz UMYIPTCOCUFBOD-CYBMUJFWSA-N -2 3 385.449 2.256 20 0 GEADHL CC[C@H](CC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736334193 598784853 /nfs/dbraw/zinc/78/48/53/598784853.db2.gz UMYIPTCOCUFBOD-CYBMUJFWSA-N -2 3 385.449 2.256 20 0 GEADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000823392002 599300817 /nfs/dbraw/zinc/30/08/17/599300817.db2.gz KNPTYYNQHJUNGE-UHFFFAOYSA-N -3 3 379.785 2.019 20 0 GEADHL O=S(=O)(C[C@H]1CCCCO1)[N-]c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823557780 599307051 /nfs/dbraw/zinc/30/70/51/599307051.db2.gz QDSBXVDCJRHLNA-SNVBAGLBSA-N -2 3 391.375 2.196 20 0 GEADHL Cc1cnn(-c2ccc(C)cc2[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000822225138 607378020 /nfs/dbraw/zinc/37/80/20/607378020.db2.gz PYOIIODLXLKLOM-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000737281402 599471562 /nfs/dbraw/zinc/47/15/62/599471562.db2.gz XOOYSDNUCPWTGD-UHFFFAOYSA-N -2 3 397.420 2.491 20 0 GEADHL O=S(=O)([N-]c1n[nH]c2c1cccc2Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000823588702 607381253 /nfs/dbraw/zinc/38/12/53/607381253.db2.gz AAILPUHNGCFRRB-UHFFFAOYSA-N -2 3 393.791 2.336 20 0 GEADHL O=S(=O)([N-]c1n[nH]c2c1cccc2Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000823588702 607381255 /nfs/dbraw/zinc/38/12/55/607381255.db2.gz AAILPUHNGCFRRB-UHFFFAOYSA-N -2 3 393.791 2.336 20 0 GEADHL C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736204475 599515618 /nfs/dbraw/zinc/51/56/18/599515618.db2.gz QCAULMROGYOBGN-ZDUSSCGKSA-N -2 3 385.449 2.007 20 0 GEADHL C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736204475 599515621 /nfs/dbraw/zinc/51/56/21/599515621.db2.gz QCAULMROGYOBGN-ZDUSSCGKSA-N -2 3 385.449 2.007 20 0 GEADHL C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccsc1 ZINC000735549594 599616780 /nfs/dbraw/zinc/61/67/80/599616780.db2.gz BCZDQSSQSXGYHA-QMMMGPOBSA-N -2 3 397.869 2.190 20 0 GEADHL C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccsc1 ZINC000735549594 599616781 /nfs/dbraw/zinc/61/67/81/599616781.db2.gz BCZDQSSQSXGYHA-QMMMGPOBSA-N -2 3 397.869 2.190 20 0 GEADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1 ZINC000819866210 599619497 /nfs/dbraw/zinc/61/94/97/599619497.db2.gz KUMQZILRQRKZJP-SNVBAGLBSA-N -2 3 391.840 2.129 20 0 GEADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000819866210 599619498 /nfs/dbraw/zinc/61/94/98/599619498.db2.gz KUMQZILRQRKZJP-SNVBAGLBSA-N -2 3 391.840 2.129 20 0 GEADHL C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1 ZINC000819866207 599619554 /nfs/dbraw/zinc/61/95/54/599619554.db2.gz KUMQZILRQRKZJP-JTQLQIEISA-N -2 3 391.840 2.129 20 0 GEADHL C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000819866207 599619555 /nfs/dbraw/zinc/61/95/55/599619555.db2.gz KUMQZILRQRKZJP-JTQLQIEISA-N -2 3 391.840 2.129 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@H]1C[C@H]1C1CCCCC1 ZINC000823285473 599621787 /nfs/dbraw/zinc/62/17/87/599621787.db2.gz UFLBGSMXVVPERL-HOTGVXAUSA-N -2 3 389.481 2.029 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@H]1C1CCCCC1 ZINC000823285473 599621788 /nfs/dbraw/zinc/62/17/88/599621788.db2.gz UFLBGSMXVVPERL-HOTGVXAUSA-N -2 3 389.481 2.029 20 0 GEADHL C[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820690459 599623222 /nfs/dbraw/zinc/62/32/22/599623222.db2.gz MGTMFIVPWMHUCL-UWVGGRQHSA-N -2 3 383.861 2.151 20 0 GEADHL C[C@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820690459 599623223 /nfs/dbraw/zinc/62/32/23/599623223.db2.gz MGTMFIVPWMHUCL-UWVGGRQHSA-N -2 3 383.861 2.151 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc(Br)s2)o1 ZINC000226233383 599768594 /nfs/dbraw/zinc/76/85/94/599768594.db2.gz BUQOWKGJQIAVHK-UHFFFAOYSA-N -2 3 380.241 2.323 20 0 GEADHL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c1 ZINC000737683754 599853334 /nfs/dbraw/zinc/85/33/34/599853334.db2.gz RZRYZIGGIZPVNR-UHFFFAOYSA-N -2 3 389.307 2.390 20 0 GEADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)cc1 ZINC000485043952 599926263 /nfs/dbraw/zinc/92/62/63/599926263.db2.gz UDFKOEVVCGHTMY-UHFFFAOYSA-N -2 3 390.417 2.226 20 0 GEADHL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cc2c(cc1F)CCC(=O)N2 ZINC000740305101 600097024 /nfs/dbraw/zinc/09/70/24/600097024.db2.gz CXZIOWYJZOUDRJ-UHFFFAOYSA-N -2 3 382.344 2.349 20 0 GEADHL C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000736549181 600174470 /nfs/dbraw/zinc/17/44/70/600174470.db2.gz SXJFYGVPRHHPFO-JTQLQIEISA-N -2 3 397.840 2.129 20 0 GEADHL C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)[N-]c1n[nH]c(CC(=O)[O-])n1 ZINC000736825611 600182656 /nfs/dbraw/zinc/18/26/56/600182656.db2.gz OAWDRFLYRDKPIJ-LLVKDONJSA-N -2 3 381.392 2.228 20 0 GEADHL Cc1c(C[S@](C)=O)cccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000523901677 600254270 /nfs/dbraw/zinc/25/42/70/600254270.db2.gz XMXUGYRWRKUQQY-VWLOTQADSA-N -2 3 397.474 2.138 20 0 GEADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])cc2)ccc1F ZINC000736160828 600255117 /nfs/dbraw/zinc/25/51/17/600255117.db2.gz KJPXYFDZQRUIER-UHFFFAOYSA-N -2 3 382.369 2.048 20 0 GEADHL O=C([O-])c1cc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)ccc1F ZINC000740090467 600388494 /nfs/dbraw/zinc/38/84/94/600388494.db2.gz PFYHDYUMCXJKLA-UHFFFAOYSA-N -2 3 387.367 2.219 20 0 GEADHL CCOC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000609985107 600395849 /nfs/dbraw/zinc/39/58/49/600395849.db2.gz FVWRQMBENOZVQA-UHFFFAOYSA-N -2 3 393.417 2.056 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCc2nc(-c3cccc(Cl)c3)no2)o1 ZINC000740176633 600518967 /nfs/dbraw/zinc/51/89/67/600518967.db2.gz LXZTXTZVBHXHET-UHFFFAOYSA-N -2 3 397.796 2.202 20 0 GEADHL O=C([O-])Cn1cc([N-]S(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)cn1 ZINC000739911480 600530119 /nfs/dbraw/zinc/53/01/19/600530119.db2.gz HSTXCMWRPPKABE-UHFFFAOYSA-N -2 3 399.375 2.298 20 0 GEADHL O=C([O-])Cn1cc([N-]S(=O)(=O)/C=C/c2cccc(Br)c2)cn1 ZINC000739911500 600530312 /nfs/dbraw/zinc/53/03/12/600530312.db2.gz ACBTTXSSGONCSH-SNAWJCMRSA-N -2 3 386.227 2.143 20 0 GEADHL COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)c1C ZINC000042794100 600542405 /nfs/dbraw/zinc/54/24/05/600542405.db2.gz GQCDQVCKWMDYDF-UHFFFAOYSA-N -2 3 379.390 2.289 20 0 GEADHL CCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)c(C(=O)[O-])c1 ZINC000496096520 600544983 /nfs/dbraw/zinc/54/49/83/600544983.db2.gz XAILVRXSOFHYQZ-UHFFFAOYSA-N -3 3 379.390 2.455 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2C)cc1C(=O)[O-] ZINC000609730466 600545313 /nfs/dbraw/zinc/54/53/13/600545313.db2.gz MBVICDHWJXVFKP-VWLOTQADSA-N -2 3 397.474 2.381 20 0 GEADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCOC3)cc2)cc1 ZINC000265701865 600546024 /nfs/dbraw/zinc/54/60/24/600546024.db2.gz DWDPKWCEYFIDOV-MRXNPFEDSA-N -2 3 393.417 2.119 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)cc1C(=O)N(C)C ZINC000548539677 600611822 /nfs/dbraw/zinc/61/18/22/600611822.db2.gz HROHUHRWTYAHNT-UHFFFAOYSA-N -2 3 392.433 2.204 20 0 GEADHL CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cc(C(=O)[O-])c(F)cc3F)cc21 ZINC000736139525 600612349 /nfs/dbraw/zinc/61/23/49/600612349.db2.gz RBBODSXKWUHWRS-UHFFFAOYSA-N -2 3 396.371 2.373 20 0 GEADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(Cl)c2)cc1 ZINC000739886672 600628271 /nfs/dbraw/zinc/62/82/71/600628271.db2.gz UMYKBCFLQTZGNV-UHFFFAOYSA-N -2 3 392.824 2.349 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2nc(-c3cccc(Cl)c3)no2)o1 ZINC000740177687 600636963 /nfs/dbraw/zinc/63/69/63/600636963.db2.gz RWYHRYWKMDXZMI-UHFFFAOYSA-N -2 3 383.769 2.160 20 0 GEADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)c2ccccc12 ZINC000824334488 607461578 /nfs/dbraw/zinc/46/15/78/607461578.db2.gz VPLUFANMBKFOEW-UHFFFAOYSA-N -2 3 399.436 2.331 20 0 GEADHL COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)cc2C)ccc1C(=O)[O-] ZINC000831327389 600687746 /nfs/dbraw/zinc/68/77/46/600687746.db2.gz KIRWRVKTXMFSGZ-UHFFFAOYSA-N -2 3 379.390 2.289 20 0 GEADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(N3CCOC3=O)cc2)c1 ZINC000740140895 600694217 /nfs/dbraw/zinc/69/42/17/600694217.db2.gz RZVLGTYXTCQYRQ-UHFFFAOYSA-N -2 3 380.353 2.281 20 0 GEADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(Br)cn2)CCCCCC1 ZINC000833176121 600701564 /nfs/dbraw/zinc/70/15/64/600701564.db2.gz YPWCGAXLWQQFPR-UHFFFAOYSA-N -2 3 377.260 2.300 20 0 GEADHL O=C([O-])c1ccc(OCC[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)cc1 ZINC000833321019 600744034 /nfs/dbraw/zinc/74/40/34/600744034.db2.gz FLBDWLIDAORRCS-UHFFFAOYSA-N -2 3 375.324 2.159 20 0 GEADHL COC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F)C(C)C ZINC000831654827 600763757 /nfs/dbraw/zinc/76/37/57/600763757.db2.gz HOYSUHKGPGPANK-NSHDSACASA-N -2 3 398.250 2.236 20 0 GEADHL CNC(=O)CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000520624418 600816402 /nfs/dbraw/zinc/81/64/02/600816402.db2.gz GSHMMCSNWTWRRP-UHFFFAOYSA-N -2 3 392.433 2.009 20 0 GEADHL O=C([O-])c1c(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)sc2c1CCCC2 ZINC000833145599 600857971 /nfs/dbraw/zinc/85/79/71/600857971.db2.gz QVCNYVWQCTWZAE-UHFFFAOYSA-N -2 3 392.408 2.425 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(CN3CCOC3=O)cc2)ccc1C(=O)[O-] ZINC000738477119 600890801 /nfs/dbraw/zinc/89/08/01/600890801.db2.gz RJBUPLXUDUTNPP-UHFFFAOYSA-N -2 3 390.417 2.446 20 0 GEADHL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[N-][C@H](C(C)(C)C)C(F)(F)F)c1 ZINC000831243162 600988930 /nfs/dbraw/zinc/98/89/30/600988930.db2.gz VLCJDHPKLQIMGN-CYBMUJFWSA-N -2 3 397.371 2.427 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2CCN(Cc3ccccc3)C2)c1F ZINC000389426887 600991319 /nfs/dbraw/zinc/99/13/19/600991319.db2.gz DBPKBZZVZQAIKX-CYBMUJFWSA-N -2 3 396.415 2.216 20 0 GEADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]N=c1ccc(C(F)(F)F)c[nH]1 ZINC000831939210 601150180 /nfs/dbraw/zinc/15/01/80/601150180.db2.gz FVGVXUYDFSSTOF-UHFFFAOYSA-N -2 3 397.356 2.174 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@@H](c2nccn2C)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000833028765 601215808 /nfs/dbraw/zinc/21/58/08/601215808.db2.gz QSUBFNLHCACHGA-OAHLLOKOSA-N -2 3 393.396 2.227 20 0 GEADHL CCN(CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)C(=O)OC(C)(C)C ZINC000829709884 601216181 /nfs/dbraw/zinc/21/61/81/601216181.db2.gz VNRYVUBUAZUNNT-UHFFFAOYSA-N -2 3 390.458 2.212 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc1C(=O)[O-] ZINC000833028910 601217252 /nfs/dbraw/zinc/21/72/52/601217252.db2.gz SXSXEFIBIBVCPD-VIFPVBQESA-N -2 3 378.406 2.210 20 0 GEADHL Cc1oc(S(=O)(=O)[N-]Cc2nc(-c3ccc(Cl)cc3)no2)cc1C(=O)[O-] ZINC000833026996 601222437 /nfs/dbraw/zinc/22/24/37/601222437.db2.gz MONYWOTUKNHEMO-UHFFFAOYSA-N -2 3 397.796 2.468 20 0 GEADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C)c1ccccc1 ZINC000831078318 601232420 /nfs/dbraw/zinc/23/24/20/601232420.db2.gz KPIOOTBJHMRHEN-INIZCTEOSA-N -2 3 377.418 2.194 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@](C)(C(=O)[O-])C2CC2)c(Cl)cc1Cl ZINC000831343959 601247660 /nfs/dbraw/zinc/24/76/60/601247660.db2.gz VKXACUBVJMNNGC-CQSZACIVSA-N -2 3 396.248 2.312 20 0 GEADHL CC(=O)N1CCc2cc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)ccc21 ZINC000013093425 601318723 /nfs/dbraw/zinc/31/87/23/601318723.db2.gz UMOIBLTYALRZEA-UHFFFAOYSA-N -2 3 378.381 2.234 20 0 GEADHL O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000733875674 601331449 /nfs/dbraw/zinc/33/14/49/601331449.db2.gz JNOGHQGPQGXEED-UHFFFAOYSA-N -3 3 383.353 2.178 20 0 GEADHL CC(C)[C@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000826747444 601399119 /nfs/dbraw/zinc/39/91/19/601399119.db2.gz MZYIBFPQMYCLSL-MEBBXXQBSA-N -2 3 377.409 2.393 20 0 GEADHL C[C@H]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1nc(Cc2ccccc2)no1 ZINC000827761071 601401048 /nfs/dbraw/zinc/40/10/48/601401048.db2.gz SPGLCMUFGGPFKH-LBPRGKRZSA-N -2 3 387.417 2.398 20 0 GEADHL CCOC(=O)c1sc2[n-]c([C@H](C)N3C[C@H](C)[C@@H](C(=O)[O-])C3)nc(=O)c2c1C ZINC000829901028 601522929 /nfs/dbraw/zinc/52/29/29/601522929.db2.gz IKQRDZXWGAOCRR-LSJOCFKGSA-N -2 3 393.465 2.183 20 0 GEADHL CO[C@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cs1 ZINC000831501431 601523946 /nfs/dbraw/zinc/52/39/46/601523946.db2.gz SJKMULYLGMDLIX-SSDOTTSWSA-N -2 3 392.405 2.305 20 0 GEADHL CCOC(=O)c1sc2[n-]c([C@H](C)N3CC[C@](F)(C(=O)[O-])C3)nc(=O)c2c1C ZINC000829901780 601552581 /nfs/dbraw/zinc/55/25/81/601552581.db2.gz RROJGTZRHBZVDE-HUTHGQBESA-N -2 3 397.428 2.029 20 0 GEADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C1CCCCC1 ZINC000831085035 601596538 /nfs/dbraw/zinc/59/65/38/601596538.db2.gz VVDBDIDPRJUWJK-AWEZNQCLSA-N -2 3 391.392 2.063 20 0 GEADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)N(C)C)c1 ZINC000466282750 601785188 /nfs/dbraw/zinc/78/51/88/601785188.db2.gz IIZXAWXESLPBJY-UHFFFAOYSA-N -2 3 380.397 2.335 20 0 GEADHL Cc1ccc(C(=O)NCCC(=O)Nc2nc(CCCC(=O)[O-])cs2)c([O-])c1 ZINC000832911291 601802214 /nfs/dbraw/zinc/80/22/14/601802214.db2.gz CCXABBBHHZOXBF-UHFFFAOYSA-N -2 3 391.449 2.323 20 0 GEADHL COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c(C(=O)[O-])c1 ZINC000542738095 601837380 /nfs/dbraw/zinc/83/73/80/601837380.db2.gz GHULXVZTAMRTNO-UHFFFAOYSA-N -2 3 390.417 2.424 20 0 GEADHL C[C@@H](C[C@@H](O)c1ccccc1)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000827403284 601883882 /nfs/dbraw/zinc/88/38/82/601883882.db2.gz ALCYOBQYXNJYIZ-GXFFZTMASA-N -2 3 385.388 2.454 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(Cn3cccn3)c2)c1-c1nn[n-]n1 ZINC000826303998 607535001 /nfs/dbraw/zinc/53/50/01/607535001.db2.gz QHMYISKKMUIVHX-UHFFFAOYSA-N -2 3 395.448 2.221 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)c1-c1nnn[n-]1 ZINC000826304042 607535164 /nfs/dbraw/zinc/53/51/64/607535164.db2.gz SSLCCPQOVMZAPT-UHFFFAOYSA-N -2 3 399.461 2.494 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)c1-c1nn[n-]n1 ZINC000826304042 607535166 /nfs/dbraw/zinc/53/51/66/607535166.db2.gz SSLCCPQOVMZAPT-UHFFFAOYSA-N -2 3 399.461 2.494 20 0 GEADHL Cc1nnc(-c2ccc([N-]S(=O)(=O)c3cccc(C)c3-c3nnn[n-]3)cc2)o1 ZINC000826334621 607536986 /nfs/dbraw/zinc/53/69/86/607536986.db2.gz BYCIHCFCGKRAGK-UHFFFAOYSA-N -2 3 397.420 2.334 20 0 GEADHL Cc1nnc(-c2ccc([N-]S(=O)(=O)c3cccc(C)c3-c3nn[n-]n3)cc2)o1 ZINC000826334621 607536988 /nfs/dbraw/zinc/53/69/88/607536988.db2.gz BYCIHCFCGKRAGK-UHFFFAOYSA-N -2 3 397.420 2.334 20 0 GEADHL C[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739040130 601991082 /nfs/dbraw/zinc/99/10/82/601991082.db2.gz QSVZRLQZYFFSJL-DTWKUNHWSA-N -2 3 382.269 2.445 20 0 GEADHL O=C([O-])N1CCC[C@H]1[C@@H]1CCCCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000740733263 602004964 /nfs/dbraw/zinc/00/49/64/602004964.db2.gz UVHOJLWONXTFPQ-GJZGRUSLSA-N -2 3 386.408 2.099 20 0 GEADHL CCC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CCOCC1 ZINC000320095863 602160345 /nfs/dbraw/zinc/16/03/45/602160345.db2.gz DTRKXJGWJJQZTA-UHFFFAOYSA-N -2 3 396.259 2.225 20 0 GEADHL C[C@H](Cc1ccncc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000827596942 602163636 /nfs/dbraw/zinc/16/36/36/602163636.db2.gz HADBZNJPCGZGLU-MRVPVSSYSA-N -2 3 389.227 2.045 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)OC(C)(C)C)cc1C(=O)[O-] ZINC000833027142 602173001 /nfs/dbraw/zinc/17/30/01/602173001.db2.gz QEGOYIWRDBBAGE-LBPRGKRZSA-N -2 3 375.443 2.321 20 0 GEADHL O=C([O-])Nc1ccccc1NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000740714859 602174696 /nfs/dbraw/zinc/17/46/96/602174696.db2.gz ZSERVDXKLNJMGM-UHFFFAOYSA-N -2 3 389.842 2.408 20 0 GEADHL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]N=c2nc[nH]c3ccsc32)c1 ZINC000765126669 602202727 /nfs/dbraw/zinc/20/27/27/602202727.db2.gz MLQZJLCCJFBYNU-UHFFFAOYSA-N -2 3 384.826 2.348 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCC(=O)OCc2ccccc2)c1F ZINC000833100606 602214848 /nfs/dbraw/zinc/21/48/48/602214848.db2.gz JSLYPZHQCJGOON-UHFFFAOYSA-N -2 3 399.371 2.075 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CC[C@H]2COc3ccccc3O2)c1F ZINC000833294716 602224527 /nfs/dbraw/zinc/22/45/27/602224527.db2.gz VRGAKIGLGHGGOG-JTQLQIEISA-N -2 3 399.371 2.171 20 0 GEADHL CC[C@]1(C)CCN(Cc2nc(=O)c3c(CC(=O)[O-])c(C(=O)OC)sc3[n-]2)C1 ZINC000829050371 602241234 /nfs/dbraw/zinc/24/12/34/602241234.db2.gz PZOXRCNTNNYFGV-GOSISDBHSA-N -2 3 393.465 2.020 20 0 GEADHL O=C(c1ccc(F)cc1[O-])N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000826473423 607564014 /nfs/dbraw/zinc/56/40/14/607564014.db2.gz XRNZVIHTANNJEU-UHFFFAOYSA-N -2 3 382.399 2.064 20 0 GEADHL O=C([O-])N[C@H](CCC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000740536668 602500980 /nfs/dbraw/zinc/50/09/80/602500980.db2.gz HRPHJKGWIZLSOV-MRXNPFEDSA-N -2 3 380.408 2.272 20 0 GEADHL O=C([O-])N[C@H](CCC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000740536668 602500981 /nfs/dbraw/zinc/50/09/81/602500981.db2.gz HRPHJKGWIZLSOV-MRXNPFEDSA-N -2 3 380.408 2.272 20 0 GEADHL COCCOc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)[O-])c2)cc1 ZINC000739839342 602655632 /nfs/dbraw/zinc/65/56/32/602655632.db2.gz QZHCBSDKTOBKFK-UHFFFAOYSA-N -2 3 380.422 2.280 20 0 GEADHL C[C@H](CNC(=O)[O-])N(C)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000738934497 602734280 /nfs/dbraw/zinc/73/42/80/602734280.db2.gz TVGGHPIRCNVQPD-MRVPVSSYSA-N -2 3 382.214 2.019 20 0 GEADHL O=C([O-])Nc1ccc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)c([O-])c1 ZINC000740698064 602841644 /nfs/dbraw/zinc/84/16/44/602841644.db2.gz KAQOKBXXSPISGJ-MRXNPFEDSA-N -2 3 385.420 2.113 20 0 GEADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CC(C)(C)NC(=O)[O-] ZINC000828810099 603471246 /nfs/dbraw/zinc/47/12/46/603471246.db2.gz NJBAEACWFATGND-UHFFFAOYSA-N -2 3 386.451 2.012 20 0 GEADHL C[N-]S(=O)(=O)c1cc(C(=O)Oc2ccc(N(C)C(=O)[O-])cc2)ccc1F ZINC000828579620 603799653 /nfs/dbraw/zinc/79/96/53/603799653.db2.gz OJOWGSOBCCMWRU-UHFFFAOYSA-N -2 3 382.369 2.067 20 0 GEADHL O=C([O-])N[C@H]1CC[C@H](C(=O)Nc2cc(I)ccc2[O-])C1 ZINC000832288825 603887667 /nfs/dbraw/zinc/88/76/67/603887667.db2.gz WMVFJVBDQNGDQC-CBAPKCEASA-N -2 3 390.177 2.372 20 0 GEADHL C[C@@H](O)C[C@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1ccccc1 ZINC000827790224 604407700 /nfs/dbraw/zinc/40/77/00/604407700.db2.gz OTILJHLMUNBTEC-DGCLKSJQSA-N -2 3 399.415 2.496 20 0 GEADHL COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1OC ZINC000831972762 604799797 /nfs/dbraw/zinc/79/97/97/604799797.db2.gz QIKGMVHGXAEOND-ONEGZZNKSA-N -3 3 397.380 2.447 20 0 GEADHL C[C@]1([N-]S(=O)(=O)c2ccc(Br)cn2)CCCC[C@H]1C(=O)[O-] ZINC000833568336 604808309 /nfs/dbraw/zinc/80/83/09/604808309.db2.gz DBKVAFIQOMOUEB-GWCFXTLKSA-N -2 3 377.260 2.156 20 0 GEADHL Cc1c(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cccc1C(=O)[O-] ZINC000833742021 605037980 /nfs/dbraw/zinc/03/79/80/605037980.db2.gz KSDAAIJQJCFTIS-UHFFFAOYSA-N -2 3 383.404 2.389 20 0 GEADHL CN(C(=O)NCc1ccc([O-])c(Br)c1)C1CCN(C(=O)[O-])CC1 ZINC000827801662 605190185 /nfs/dbraw/zinc/19/01/85/605190185.db2.gz YKIBCZGHOKDHGW-UHFFFAOYSA-N -2 3 386.246 2.439 20 0 GEADHL C[C@@H]1CN(C(=O)NCc2ccc([O-])c(Br)c2)CC[C@H]1NC(=O)[O-] ZINC000826008115 605190206 /nfs/dbraw/zinc/19/02/06/605190206.db2.gz SLQIINZUNFHETB-BXKDBHETSA-N -2 3 386.246 2.342 20 0 GEADHL CC(C)C[C@H](CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833477689 605202111 /nfs/dbraw/zinc/20/21/11/605202111.db2.gz LXRCQWDMYHHLHQ-GFCCVEGCSA-N -2 3 390.458 2.196 20 0 GEADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(=O)OCc1ccccc1 ZINC000833446972 605210673 /nfs/dbraw/zinc/21/06/73/605210673.db2.gz UNPIISBXSGYSQM-OAHLLOKOSA-N -2 3 395.433 2.414 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])ccc1N1CCOCC1 ZINC000833746539 605265471 /nfs/dbraw/zinc/26/54/71/605265471.db2.gz CBEIYMUCTRJRHH-UHFFFAOYSA-N -2 3 376.434 2.331 20 0 GEADHL O=C([O-])N1CCSC[C@@H]1CC(=O)NCc1ccc([O-])c(Br)c1 ZINC000831415073 605333654 /nfs/dbraw/zinc/33/36/54/605333654.db2.gz WLGCXCBJOSMENA-JTQLQIEISA-N -2 3 389.271 2.256 20 0 GEADHL CSc1nnc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)s1 ZINC000445561416 649962484 /nfs/dbraw/zinc/96/24/84/649962484.db2.gz ZLECDYVLHYDWKF-UHFFFAOYSA-N -2 3 379.872 2.090 20 0 GEADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1cccc(C(F)(F)F)c1 ZINC000823583079 606338184 /nfs/dbraw/zinc/33/81/84/606338184.db2.gz HATFSGCXOBQOMQ-UHFFFAOYSA-N -2 3 385.327 2.392 20 0 GEADHL O=C([O-])c1ccc(NS(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c(F)c1 ZINC000823391620 606431258 /nfs/dbraw/zinc/43/12/58/606431258.db2.gz AANDYKIVFDUJOV-UHFFFAOYSA-N -2 3 397.775 2.158 20 0 GEADHL CC(C)c1nnc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)s1 ZINC000820211106 606468118 /nfs/dbraw/zinc/46/81/18/606468118.db2.gz DFYMHHDZNXWURB-UHFFFAOYSA-N -2 3 385.862 2.296 20 0 GEADHL CC(C)c1nnc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)s1 ZINC000820211106 606468119 /nfs/dbraw/zinc/46/81/19/606468119.db2.gz DFYMHHDZNXWURB-UHFFFAOYSA-N -2 3 385.862 2.296 20 0 GEADHL CSc1ccncc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821990326 606637989 /nfs/dbraw/zinc/63/79/89/606637989.db2.gz RKIIKVZVULFUDJ-UHFFFAOYSA-N -2 3 382.858 2.438 20 0 GEADHL CSc1ccncc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821990326 606637990 /nfs/dbraw/zinc/63/79/90/606637990.db2.gz RKIIKVZVULFUDJ-UHFFFAOYSA-N -2 3 382.858 2.438 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)cc2)c(Cl)cc1F ZINC000822211533 606802833 /nfs/dbraw/zinc/80/28/33/606802833.db2.gz CYEUFDJTMKEEST-UHFFFAOYSA-N -2 3 395.803 2.086 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)cc2)c(Cl)cc1F ZINC000822211533 606802834 /nfs/dbraw/zinc/80/28/34/606802834.db2.gz CYEUFDJTMKEEST-UHFFFAOYSA-N -2 3 395.803 2.086 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2-c2nn[n-]n2)c(C)s1 ZINC000822211967 606820981 /nfs/dbraw/zinc/82/09/81/606820981.db2.gz VXBRHWKZPUDXTA-UHFFFAOYSA-N -2 3 378.483 2.412 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2-c2nn[n-]n2)ccc1F ZINC000822211567 606821000 /nfs/dbraw/zinc/82/10/00/606821000.db2.gz FHOKMFVDMYFYMY-UHFFFAOYSA-N -2 3 376.417 2.181 20 0 GEADHL Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(N(C)C)ccc1-c1nn[n-]n1 ZINC000822034669 606821038 /nfs/dbraw/zinc/82/10/38/606821038.db2.gz IZCPELOVZKPEIB-UHFFFAOYSA-N -2 3 376.417 2.181 20 0 GEADHL Cn1nc(C2CCCCC2)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822704139 606865580 /nfs/dbraw/zinc/86/55/80/606865580.db2.gz HONYXKSHNIFTNJ-UHFFFAOYSA-N -2 3 387.469 2.449 20 0 GEADHL Cn1nc(C2CCCCC2)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822704139 606865582 /nfs/dbraw/zinc/86/55/82/606865582.db2.gz HONYXKSHNIFTNJ-UHFFFAOYSA-N -2 3 387.469 2.449 20 0 GEADHL Cc1ccccc1C[C@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822356284 606886798 /nfs/dbraw/zinc/88/67/98/606886798.db2.gz QHCADFJGOHNCPD-NSHDSACASA-N -2 3 393.419 2.363 20 0 GEADHL O=S(=O)([N-][C@H]1C[C@@H]1c1cccc(F)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823573197 606889170 /nfs/dbraw/zinc/88/91/70/606889170.db2.gz RYJTXLMMVXOOLF-RISCZKNCSA-N -2 3 395.366 2.118 20 0 GEADHL CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820914915 606890285 /nfs/dbraw/zinc/89/02/85/606890285.db2.gz RXMZFHMVQAFJTF-CYBMUJFWSA-N -2 3 393.419 2.445 20 0 GEADHL O=S(=O)([N-]C1(c2ccccc2F)CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823567939 606893211 /nfs/dbraw/zinc/89/32/11/606893211.db2.gz ZIUGZOVPEKTNIW-UHFFFAOYSA-N -2 3 395.366 2.252 20 0 GEADHL C[C@H](c1ccccc1)n1ccc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000820570409 607112382 /nfs/dbraw/zinc/11/23/82/607112382.db2.gz JIHAFKPQYDQBAH-CYBMUJFWSA-N -2 3 395.448 2.473 20 0 GEADHL C[C@H](c1ccccc1)n1ccc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000820570409 607112383 /nfs/dbraw/zinc/11/23/83/607112383.db2.gz JIHAFKPQYDQBAH-CYBMUJFWSA-N -2 3 395.448 2.473 20 0 GEADHL C[C@H](c1ccccc1)n1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820570917 607112518 /nfs/dbraw/zinc/11/25/18/607112518.db2.gz UBPIFNXQLLMQBM-CYBMUJFWSA-N -2 3 395.448 2.473 20 0 GEADHL C[C@H](c1ccccc1)n1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820570917 607112520 /nfs/dbraw/zinc/11/25/20/607112520.db2.gz UBPIFNXQLLMQBM-CYBMUJFWSA-N -2 3 395.448 2.473 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000823393040 607123248 /nfs/dbraw/zinc/12/32/48/607123248.db2.gz WCLQCYUKZVURKB-UHFFFAOYSA-N -2 3 379.785 2.019 20 0 GEADHL CC1(C)CCC(CC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824796355 607776560 /nfs/dbraw/zinc/77/65/60/607776560.db2.gz OPRBJNFGJKTVAF-UHFFFAOYSA-N -2 3 391.497 2.419 20 0 GEADHL CC1(C)CCC(CC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824796355 607776561 /nfs/dbraw/zinc/77/65/61/607776561.db2.gz OPRBJNFGJKTVAF-UHFFFAOYSA-N -2 3 391.497 2.419 20 0 GEADHL c1nc([N-]c2ncnc3nccnc23)sc1Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826525650 607781083 /nfs/dbraw/zinc/78/10/83/607781083.db2.gz SXJHMOGFGIFQPR-UHFFFAOYSA-N -2 3 388.420 2.391 20 0 GEADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2cn(C(C)C)cn2)cc1-c1nnn[n-]1 ZINC000824332941 607816819 /nfs/dbraw/zinc/81/68/19/607816819.db2.gz BBCBBMCTISPDCS-UHFFFAOYSA-N -2 3 391.457 2.232 20 0 GEADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2cn(C(C)C)cn2)cc1-c1nn[n-]n1 ZINC000824332941 607816820 /nfs/dbraw/zinc/81/68/20/607816820.db2.gz BBCBBMCTISPDCS-UHFFFAOYSA-N -2 3 391.457 2.232 20 0 GEADHL CC1(C)CCC[C@@H](CC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824801401 607923133 /nfs/dbraw/zinc/92/31/33/607923133.db2.gz FDXWMNXXJGLIBB-ZDUSSCGKSA-N -2 3 391.497 2.419 20 0 GEADHL CC1(C)CCC[C@@H](CC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824801401 607923134 /nfs/dbraw/zinc/92/31/34/607923134.db2.gz FDXWMNXXJGLIBB-ZDUSSCGKSA-N -2 3 391.497 2.419 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cncc(Br)c1 ZINC000826255637 607932596 /nfs/dbraw/zinc/93/25/96/607932596.db2.gz FCVZVWOKZUUPMG-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL Cc1ccc(Br)c(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000826281436 608227483 /nfs/dbraw/zinc/22/74/83/608227483.db2.gz RRHHPELFTRSHJB-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL Cc1ccc(Br)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000826281436 608227484 /nfs/dbraw/zinc/22/74/84/608227484.db2.gz RRHHPELFTRSHJB-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC(C)(C)C1 ZINC000824865060 609138726 /nfs/dbraw/zinc/13/87/26/609138726.db2.gz GWORSGDRTVTKLA-YPMHNXCESA-N -2 3 377.470 2.134 20 0 GEADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC(C)(C)C1 ZINC000824865060 609138727 /nfs/dbraw/zinc/13/87/27/609138727.db2.gz GWORSGDRTVTKLA-YPMHNXCESA-N -2 3 377.470 2.134 20 0 GEADHL C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC(C)(C)C1 ZINC000824865056 609138784 /nfs/dbraw/zinc/13/87/84/609138784.db2.gz GWORSGDRTVTKLA-WCQYABFASA-N -2 3 377.470 2.134 20 0 GEADHL C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC(C)(C)C1 ZINC000824865056 609138786 /nfs/dbraw/zinc/13/87/86/609138786.db2.gz GWORSGDRTVTKLA-WCQYABFASA-N -2 3 377.470 2.134 20 0 GEADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000824744658 609258659 /nfs/dbraw/zinc/25/86/59/609258659.db2.gz CXXIGIAXIHTJIV-CYBMUJFWSA-N -2 3 387.440 2.175 20 0 GEADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000824744658 609258661 /nfs/dbraw/zinc/25/86/61/609258661.db2.gz CXXIGIAXIHTJIV-CYBMUJFWSA-N -2 3 387.440 2.175 20 0 GEADHL CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000824024956 609467924 /nfs/dbraw/zinc/46/79/24/609467924.db2.gz RUMJVAPENBGBKG-UHFFFAOYSA-N -2 3 379.348 2.148 20 0 GEADHL CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000824024956 609467925 /nfs/dbraw/zinc/46/79/25/609467925.db2.gz RUMJVAPENBGBKG-UHFFFAOYSA-N -2 3 379.348 2.148 20 0 GEADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1ccc(OCC(F)F)cc1 ZINC000826492363 609468094 /nfs/dbraw/zinc/46/80/94/609468094.db2.gz HBOKEEDXCZWSMU-UHFFFAOYSA-N -2 3 397.363 2.017 20 0 GEADHL O=C([O-])c1cc(Cl)ccc1NS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826461732 609508772 /nfs/dbraw/zinc/50/87/72/609508772.db2.gz FGJRPSMYVYDTCZ-UHFFFAOYSA-N -2 3 393.812 2.160 20 0 GEADHL O=C([O-])c1cc(Cl)ccc1NS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826461732 609508774 /nfs/dbraw/zinc/50/87/74/609508774.db2.gz FGJRPSMYVYDTCZ-UHFFFAOYSA-N -2 3 393.812 2.160 20 0 GEADHL COc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c(OC)c1 ZINC000826210225 609524180 /nfs/dbraw/zinc/52/41/80/609524180.db2.gz JIJYFJZUKSSECQ-UHFFFAOYSA-N -2 3 395.828 2.338 20 0 GEADHL COc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c(OC)c1 ZINC000826210225 609524181 /nfs/dbraw/zinc/52/41/81/609524181.db2.gz JIJYFJZUKSSECQ-UHFFFAOYSA-N -2 3 395.828 2.338 20 0 GEADHL COc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826209220 609530773 /nfs/dbraw/zinc/53/07/73/609530773.db2.gz RPSWYNLPWNEWIP-UHFFFAOYSA-N -2 3 383.792 2.469 20 0 GEADHL COc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826209220 609530774 /nfs/dbraw/zinc/53/07/74/609530774.db2.gz RPSWYNLPWNEWIP-UHFFFAOYSA-N -2 3 383.792 2.469 20 0 GEADHL O=C(N=c1nc(-c2ccsc2)[n-]s1)NCc1nc(C(F)(F)F)n[n-]1 ZINC000448012477 650013089 /nfs/dbraw/zinc/01/30/89/650013089.db2.gz ROLYNOTVHKBYLB-UHFFFAOYSA-N -2 3 375.361 2.147 20 0 GEADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-][N-]C(=O)[C@H](C)CC ZINC000055617659 642774594 /nfs/dbraw/zinc/77/45/94/642774594.db2.gz KXODAVSSSMAKSN-SECBINFHSA-N -2 3 379.276 2.203 20 0 GEADHL CC[C@H](C)C(=O)[N-][N-]S(=O)(=O)c1ccc(Br)c(C(C)=O)c1 ZINC000179974102 644481929 /nfs/dbraw/zinc/48/19/29/644481929.db2.gz KEVNRKRJBVIELR-QMMMGPOBSA-N -2 3 377.260 2.007 20 0 GEADHL CC(C)CCC(=O)[N-][N-]S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000184491412 645019335 /nfs/dbraw/zinc/01/93/35/645019335.db2.gz LIPRRXCTDMDQHH-UHFFFAOYSA-N -2 3 391.287 2.130 20 0 GEADHL O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)[N-]OCc1ccc(F)cc1 ZINC000186452842 645067989 /nfs/dbraw/zinc/06/79/89/645067989.db2.gz DUKZUKNYJQVEOX-UHFFFAOYSA-N -2 3 378.834 2.067 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-][N-]C(=O)NCc2ccccc2)c(Br)c1 ZINC000189124216 645133430 /nfs/dbraw/zinc/13/34/30/645133430.db2.gz LYDXCXZOAADDNQ-UHFFFAOYSA-N -2 3 398.282 2.450 20 0 GEADHL Cc1ccc(C(=O)[N-][N-]S(=O)(=O)c2cc(Br)cnc2Cl)o1 ZINC000193333410 645268045 /nfs/dbraw/zinc/26/80/45/645268045.db2.gz HLXSAVATUIBBFY-UHFFFAOYSA-N -2 3 394.634 2.022 20 0 GEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000547581473 651035205 /nfs/dbraw/zinc/03/52/05/651035205.db2.gz DMDDILSTKBYOHU-LBPRGKRZSA-N -2 3 389.838 2.292 20 0 GEADHL CCC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC)C(=O)[O-] ZINC000547609131 651039021 /nfs/dbraw/zinc/03/90/21/651039021.db2.gz OHBCNJDMBKJJEK-VHSXEESVSA-N -2 3 393.483 2.101 20 0 GEADHL O=C([O-])[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000547881646 651050801 /nfs/dbraw/zinc/05/08/01/651050801.db2.gz KGDVKJDQIPTFEF-KCJUWKMLSA-N -2 3 385.335 2.003 20 0 GEADHL Cc1cnc(N)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Br)c1 ZINC000547917614 651054889 /nfs/dbraw/zinc/05/48/89/651054889.db2.gz PSHDNZOQZTWOLY-UHFFFAOYSA-N -2 3 386.227 2.234 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCC2)cc1Cl ZINC000547938462 651057298 /nfs/dbraw/zinc/05/72/98/651057298.db2.gz XARCUVPWGGMOKT-UHFFFAOYSA-N -2 3 392.836 2.361 20 0 GEADHL COC(=O)[C@@H](C)CS(=O)(=O)[N-]c1ccc(C)cc1SCCC(=O)[O-] ZINC000274932752 646335304 /nfs/dbraw/zinc/33/53/04/646335304.db2.gz PIIAUVQNTPLNKC-NSHDSACASA-N -2 3 375.468 2.113 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)cc1F ZINC000548149864 651065785 /nfs/dbraw/zinc/06/57/85/651065785.db2.gz BALLZOZZWAQIPP-UHFFFAOYSA-N -2 3 383.426 2.479 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccsc2)s1 ZINC000548198344 651067544 /nfs/dbraw/zinc/06/75/44/651067544.db2.gz MOGCPHKFNSWZAU-SECBINFHSA-N -2 3 375.449 2.091 20 0 GEADHL O=C([O-])[C@H](Cc1ccc2c(c1)OCO2)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000548528828 651079210 /nfs/dbraw/zinc/07/92/10/651079210.db2.gz GQSKQXFHRKWZJF-VIFPVBQESA-N -2 3 389.838 2.104 20 0 GEADHL O=C([O-])Cc1csc(CC[N-]S(=O)(=O)c2cc(F)ccc2Cl)n1 ZINC000548530748 651079335 /nfs/dbraw/zinc/07/93/35/651079335.db2.gz UNFINLDJYFPTMP-UHFFFAOYSA-N -2 3 378.834 2.084 20 0 GEADHL Cc1cc(Br)c(S(=O)(=O)[N-]Cc2nc(C(=O)[O-])cs2)s1 ZINC000548540182 651079569 /nfs/dbraw/zinc/07/95/69/651079569.db2.gz CWKIJZYIQHQBPM-UHFFFAOYSA-N -2 3 397.297 2.452 20 0 GEADHL CC(C)(C)OC[C@H]([N-]S(=O)(=O)c1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000551999113 651137145 /nfs/dbraw/zinc/13/71/45/651137145.db2.gz IBCROBCRFRIALH-LBPRGKRZSA-N -2 3 384.479 2.357 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cccc(C)c2)s1 ZINC000603973649 651506108 /nfs/dbraw/zinc/50/61/08/651506108.db2.gz XJUAWLBSEKUQBB-LBPRGKRZSA-N -2 3 383.447 2.337 20 0 GEADHL COCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000606342573 651552001 /nfs/dbraw/zinc/55/20/01/651552001.db2.gz AZHOVCOYKGVMFD-UHFFFAOYSA-N -2 3 388.442 2.015 20 0 GEADHL C[C@]1(C(=O)[O-])CCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000648337156 651780009 /nfs/dbraw/zinc/78/00/09/651780009.db2.gz LGJSNBZHGKSMFE-MRXNPFEDSA-N -2 3 379.210 2.370 20 0 GEADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CC(C)(C)CC(=O)[O-] ZINC000614352619 651823576 /nfs/dbraw/zinc/82/35/76/651823576.db2.gz SMCWCHJDZJBGDN-UHFFFAOYSA-N -2 3 385.463 2.467 20 0 GEADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000571988834 651865616 /nfs/dbraw/zinc/86/56/16/651865616.db2.gz FZCXNXCJXIEVNK-UHFFFAOYSA-N -2 3 392.861 2.496 20 0 GEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000575151057 652065657 /nfs/dbraw/zinc/06/56/57/652065657.db2.gz GOBHVUIKCGUGTF-QWHCGFSZSA-N -2 3 381.431 2.126 20 0 GEADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)C(F)F ZINC000576575082 652128878 /nfs/dbraw/zinc/12/88/78/652128878.db2.gz SLKAJIMCGHYRKW-LURJTMIESA-N -2 3 377.287 2.061 20 0 GEADHL O=C([O-])c1coc(C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)c1 ZINC000579272003 652329678 /nfs/dbraw/zinc/32/96/78/652329678.db2.gz CGASUKUIGYIFPG-UHFFFAOYSA-N -2 3 383.275 2.494 20 0 GEADHL Cc1nnsc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C(C)(C)C ZINC000581730151 652423523 /nfs/dbraw/zinc/42/35/23/652423523.db2.gz XMXKBGWBXQFBLH-UHFFFAOYSA-N -2 3 375.497 2.382 20 0 GEADHL CC1(C)C[C@H](S(=O)(=O)[N-]c2cc(Br)cc(C(=O)[O-])c2)CO1 ZINC000629294185 652484326 /nfs/dbraw/zinc/48/43/26/652484326.db2.gz UUWQLWHXLOCQDP-NSHDSACASA-N -2 3 378.244 2.457 20 0 GEADHL CCOC1(CS(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])CCOCC1 ZINC000629295289 652484773 /nfs/dbraw/zinc/48/47/73/652484773.db2.gz IOOUGJRHUGUIOD-UHFFFAOYSA-N -2 3 377.846 2.366 20 0 GEADHL CCOC1(CS(=O)(=O)[N-]c2cc(F)c(C)cc2C(=O)[O-])CCOCC1 ZINC000629296405 652484915 /nfs/dbraw/zinc/48/49/15/652484915.db2.gz ZDVDBRDYUZPKTK-UHFFFAOYSA-N -2 3 375.418 2.160 20 0 GEADHL CCO[C@@H]1C[C@]([N-]S(=O)(=O)c2ccc(C)c(F)c2F)(C(=O)[O-])C1(C)C ZINC000629301000 652485888 /nfs/dbraw/zinc/48/58/88/652485888.db2.gz WTKRLYDGLWQQCJ-BZNIZROVSA-N -2 3 377.409 2.210 20 0 GEADHL CCC(=O)C[C@H]([N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1)C(=O)[O-] ZINC000663286337 652487980 /nfs/dbraw/zinc/48/79/80/652487980.db2.gz QVTIJJCCGVNFFS-ZDUSSCGKSA-N -2 3 382.463 2.219 20 0 GEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(C)c(Br)c2)c[n-]1 ZINC000585730418 652534969 /nfs/dbraw/zinc/53/49/69/652534969.db2.gz QTBRPAGNCARLFF-UHFFFAOYSA-N -2 3 388.243 2.458 20 0 GEADHL O=C([O-])COc1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc1Br ZINC000670370192 652743734 /nfs/dbraw/zinc/74/37/34/652743734.db2.gz LVUHMDAKSLCDEI-RQOWECAXSA-N -3 3 395.165 2.277 20 0 GEADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000681564377 653185636 /nfs/dbraw/zinc/18/56/36/653185636.db2.gz HAVXIUZLOZHNRD-LLVKDONJSA-N -2 3 389.227 2.158 20 0 GEADHL CS(=O)(=O)c1cc(S(=O)(=O)[N-]c2cccc([O-])c2F)c(Cl)s1 ZINC000770644383 653219205 /nfs/dbraw/zinc/21/92/05/653219205.db2.gz ORJMHKVGAPBRFV-UHFFFAOYSA-N -2 3 385.847 2.451 20 0 GEADHL CCC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC)C(=O)[O-] ZINC000776583830 653361277 /nfs/dbraw/zinc/36/12/77/653361277.db2.gz MPZVHMKPEYWPGF-VHSXEESVSA-N -2 3 392.861 2.079 20 0 GEADHL O=C([O-])[C@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000776614983 653364922 /nfs/dbraw/zinc/36/49/22/653364922.db2.gz SMLZRCUKFDOQBV-NSHDSACASA-N -2 3 375.233 2.363 20 0 GEADHL COCc1nc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cs1 ZINC000811682431 653401415 /nfs/dbraw/zinc/40/14/15/653401415.db2.gz VHCQMWVXNJCFJC-UHFFFAOYSA-N -2 3 394.833 2.259 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccnc(Cl)c2)c(F)c1 ZINC000778093297 653426393 /nfs/dbraw/zinc/42/63/93/653426393.db2.gz OXPFBFYXKOTAEB-UHFFFAOYSA-N -2 3 379.822 2.046 20 0 GEADHL CSc1nc(NC(=O)c2cccc([N-]S(=O)(=O)C(F)(F)F)c2)n[n-]1 ZINC000782630155 653666214 /nfs/dbraw/zinc/66/62/14/653666214.db2.gz SZIPTFJCAGAHLP-UHFFFAOYSA-N -2 3 381.361 2.040 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC2(CF)CCOCC2)c(Cl)cc1F ZINC000840892237 653698359 /nfs/dbraw/zinc/69/83/59/653698359.db2.gz OEEXPGTXKQQHSR-UHFFFAOYSA-N -2 3 383.800 2.222 20 0 GEADHL COCC1(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CCC1 ZINC000840892191 653698373 /nfs/dbraw/zinc/69/83/73/653698373.db2.gz ZHIUFJTZXWOIFA-UHFFFAOYSA-N -2 3 396.259 2.225 20 0 GEADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-] ZINC000818431597 653731537 /nfs/dbraw/zinc/73/15/37/653731537.db2.gz WJPGTIYRBKAGPS-UHFFFAOYSA-N -2 3 398.250 2.376 20 0 GEADHL O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000864443499 653736817 /nfs/dbraw/zinc/73/68/17/653736817.db2.gz YCZFHEICOYFTFX-APPZFPTMSA-N -2 3 383.651 2.029 20 0 GEADHL Cc1ncsc1[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C(=O)[O-] ZINC000787319103 653737114 /nfs/dbraw/zinc/73/71/14/653737114.db2.gz KAAHROSFYPVASP-QMMMGPOBSA-N -2 3 382.250 2.258 20 0 GEADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](O)c2ccccc2)sc1Cl ZINC000788697377 653763699 /nfs/dbraw/zinc/76/36/99/653763699.db2.gz SNFFDPKVVKFWLY-NWDGAFQWSA-N -2 3 375.855 2.175 20 0 GEADHL COCC1(CC[N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)CC1 ZINC000843288848 653783320 /nfs/dbraw/zinc/78/33/20/653783320.db2.gz OXVDMSJAWNXXGZ-UHFFFAOYSA-N -2 3 398.300 2.304 20 0 GEADHL Cc1ccc(C[C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)C(=O)[O-])cc1C ZINC000844799082 653819097 /nfs/dbraw/zinc/81/90/97/653819097.db2.gz OXFJMJFACVVVHV-CQSZACIVSA-N -2 3 386.832 2.465 20 0 GEADHL CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)[C@@H]1OC ZINC000844898233 653827470 /nfs/dbraw/zinc/82/74/70/653827470.db2.gz YCYDCBVXTOLWLI-CWSCBRNRSA-N -2 3 398.264 2.162 20 0 GEADHL C[C@H](CO[C@H]1CCOC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000844898710 653827688 /nfs/dbraw/zinc/82/76/88/653827688.db2.gz LVPOUMWLTXSJSZ-SCZZXKLOSA-N -2 3 398.264 2.164 20 0 GEADHL C[C@H]([N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br)C1CCOCC1 ZINC000844898635 653827727 /nfs/dbraw/zinc/82/77/27/653827727.db2.gz YLBDSWAMTQUOHL-ZETCQYMHSA-N -2 3 398.300 2.302 20 0 GEADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCCOCC2)s1 ZINC000844898571 653827731 /nfs/dbraw/zinc/82/77/31/653827731.db2.gz XQPNBPKLBMRLNC-SSDOTTSWSA-N -2 3 384.273 2.056 20 0 GEADHL CC(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CCO1 ZINC000844900012 653828292 /nfs/dbraw/zinc/82/82/92/653828292.db2.gz YYXKYIDFXOXDRJ-BDAKNGLRSA-N -2 3 396.259 2.222 20 0 GEADHL 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ZINC000267146128 532734132 /nfs/dbraw/zinc/73/41/32/532734132.db2.gz KHZQRJGBURRASX-CQSZACIVSA-N -2 3 384.479 2.036 20 0 GEADHL CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)[nH]n1 ZINC000676351032 532741700 /nfs/dbraw/zinc/74/17/00/532741700.db2.gz LNBIFFJCQBCZMU-UHFFFAOYSA-N -2 3 390.462 2.019 20 0 GEADHL CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)n[nH]1 ZINC000676351032 532741707 /nfs/dbraw/zinc/74/17/07/532741707.db2.gz LNBIFFJCQBCZMU-UHFFFAOYSA-N -2 3 390.462 2.019 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CCC(C)(F)F)c(F)c1 ZINC000451615216 532766551 /nfs/dbraw/zinc/76/65/51/532766551.db2.gz VCZFAPBCXWETQJ-UHFFFAOYSA-N -2 3 388.433 2.301 20 0 GEADHL CCOC(=O)c1cc([N-]S(=O)(=O)Cc2ccccc2Br)n[n-]1 ZINC000588944752 532773471 /nfs/dbraw/zinc/77/34/71/532773471.db2.gz KVGUKIVETSCRQE-UHFFFAOYSA-N -2 3 388.243 2.291 20 0 GEADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1C=C[C@H](C(=O)[O-])C1 ZINC000316910498 532784071 /nfs/dbraw/zinc/78/40/71/532784071.db2.gz YPIIYCDCJMSVFH-GXSJLCMTSA-N -2 3 390.255 2.155 20 0 GEADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@H](C)CCC(=O)[O-] ZINC000547566600 532787050 /nfs/dbraw/zinc/78/70/50/532787050.db2.gz XSIUXPYEXLWXMV-MRVPVSSYSA-N -2 3 398.250 2.376 20 0 GEADHL CCC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1cncc(Br)c1)C(=O)[O-] ZINC000547609620 532787288 /nfs/dbraw/zinc/78/72/88/532787288.db2.gz UENDUPSQQSBHGU-JOYOIKCWSA-N -2 3 379.276 2.402 20 0 GEADHL Cc1nn2cc(S(=O)(=O)[N-][C@H](C)CCC[C@H](C)C(=O)[O-])cnc2c1Cl ZINC000547613227 532787535 /nfs/dbraw/zinc/78/75/35/532787535.db2.gz ZXCHVRIKSONOTG-VHSXEESVSA-N -2 3 388.877 2.249 20 0 GEADHL CCC(CC)CS(=O)(=O)[N-]c1cc(S(=O)(=O)CC)ccc1C(=O)[O-] ZINC000547612771 532787931 /nfs/dbraw/zinc/78/79/31/532787931.db2.gz LOSQYAAYNJUKFO-UHFFFAOYSA-N -2 3 377.484 2.356 20 0 GEADHL COCC[C@H]([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000548205064 532788742 /nfs/dbraw/zinc/78/87/42/532788742.db2.gz CJNDTZHAOQTXNG-NSHDSACASA-N -2 3 390.870 2.232 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC(C)(C)C)C(=O)[O-])c(Cl)c1 ZINC000548223309 532790032 /nfs/dbraw/zinc/79/00/32/532790032.db2.gz VGLXXOKGKHICLZ-LLVKDONJSA-N -2 3 377.846 2.294 20 0 GEADHL CC[C@](C)([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(F)(F)F ZINC000548473916 532791607 /nfs/dbraw/zinc/79/16/07/532791607.db2.gz IBYVOOSDPUXCAQ-NSHDSACASA-N -2 3 392.396 2.207 20 0 GEADHL Cn1cc([C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C(=O)[O-])cn1 ZINC000327168614 532791734 /nfs/dbraw/zinc/79/17/34/532791734.db2.gz USTLWIHCFVZWDI-LLVKDONJSA-N -2 3 397.762 2.197 20 0 GEADHL O=C([O-])[C@@H](O)[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000549551629 532794842 /nfs/dbraw/zinc/79/48/42/532794842.db2.gz PKMQXAWHMWTACC-GWCFXTLKSA-N -2 3 381.903 2.464 20 0 GEADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2cccc(Br)c2F)o1 ZINC000542840895 532781171 /nfs/dbraw/zinc/78/11/71/532781171.db2.gz BEMUPNYDEWNUDO-UHFFFAOYSA-N -2 3 378.175 2.358 20 0 GEADHL COc1ccc(Br)c(S(=O)(=O)[N-]CCCCCC(=O)[O-])c1 ZINC000270402424 532797501 /nfs/dbraw/zinc/79/75/01/532797501.db2.gz AFETYDPRNQDYAN-UHFFFAOYSA-N -2 3 380.260 2.381 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@](C)(CCC(C)(C)C)C(=O)[O-])s1 ZINC000551588370 532801033 /nfs/dbraw/zinc/80/10/33/532801033.db2.gz TXIZRDAAEKQBBG-OAHLLOKOSA-N -2 3 377.484 2.483 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2sc(C)nc2C)cc1F ZINC000270838790 532802485 /nfs/dbraw/zinc/80/24/85/532802485.db2.gz VURXXIYRMUCLBC-UHFFFAOYSA-N -2 3 393.487 2.461 20 0 GEADHL COC(=O)CCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000273679714 532830680 /nfs/dbraw/zinc/83/06/80/532830680.db2.gz KPYPTYLIKGLBDO-UHFFFAOYSA-N -2 3 384.237 2.313 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CSCCS2)c(Cl)cc1F ZINC000273703672 532831332 /nfs/dbraw/zinc/83/13/32/532831332.db2.gz NZXLTMBRGRXMRG-SSDOTTSWSA-N -2 3 385.891 2.304 20 0 GEADHL CC(C)OC(=O)[C@@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000273749971 532832909 /nfs/dbraw/zinc/83/29/09/532832909.db2.gz PQRXNRQUWNRVAB-QMMMGPOBSA-N -2 3 381.809 2.043 20 0 GEADHL CC(C)OC(=O)[C@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000273749970 532833113 /nfs/dbraw/zinc/83/31/13/532833113.db2.gz PQRXNRQUWNRVAB-MRVPVSSYSA-N -2 3 381.809 2.043 20 0 GEADHL CO[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Br)C(C)C ZINC000273854252 532835745 /nfs/dbraw/zinc/83/57/45/532835745.db2.gz YMYMKJSMCXAPCC-NSHDSACASA-N -2 3 398.250 2.236 20 0 GEADHL Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000057116256 205153013 /nfs/dbraw/zinc/15/30/13/205153013.db2.gz ULEODZBPTSHXIQ-UHFFFAOYSA-N -2 3 376.406 2.446 20 0 GEADHL CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Br)C(=O)[O-] ZINC000274942833 532860311 /nfs/dbraw/zinc/86/03/11/532860311.db2.gz REYKXEYGUIUIKU-QMMMGPOBSA-N -2 3 386.651 2.253 20 0 GEADHL COc1ccc(S(=O)(=O)[N-][C@H](CCSC)C(=O)[O-])c(Cl)c1Cl ZINC000274945620 532860355 /nfs/dbraw/zinc/86/03/55/532860355.db2.gz RUULDJFSWWEKOI-SSDOTTSWSA-N -2 3 388.294 2.487 20 0 GEADHL CCC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1)C(=O)[O-] ZINC000274946728 532860407 /nfs/dbraw/zinc/86/04/07/532860407.db2.gz FUMZHYVZTGNJEL-JTQLQIEISA-N -2 3 388.492 2.281 20 0 GEADHL Cc1c(Br)ccc(C(=O)[O-])c1[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000274976855 532860979 /nfs/dbraw/zinc/86/09/79/532860979.db2.gz JGMHCPSRVIXTQW-SECBINFHSA-N -2 3 378.244 2.376 20 0 GEADHL Cc1nn(C)c(C)c1[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000275031735 532861529 /nfs/dbraw/zinc/86/15/29/532861529.db2.gz FUCXFJCRJMSXNB-CYBMUJFWSA-N -2 3 392.264 2.448 20 0 GEADHL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C(C)(C)C[C@@H](C)C(=O)[O-] ZINC000275036210 532861595 /nfs/dbraw/zinc/86/15/95/532861595.db2.gz DFPLARJQPZOCNS-SECBINFHSA-N -2 3 377.846 2.294 20 0 GEADHL COc1ccc(Br)cc1S(=O)(=O)[N-]CC[C@H](C)CC(=O)[O-] ZINC000275063086 532862941 /nfs/dbraw/zinc/86/29/41/532862941.db2.gz UYXDONHCSZOHFZ-VIFPVBQESA-N -2 3 380.260 2.237 20 0 GEADHL COCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000275154846 532866932 /nfs/dbraw/zinc/86/69/32/532866932.db2.gz ZFRYDQRKLFPFOE-VIFPVBQESA-N -2 3 375.752 2.127 20 0 GEADHL Cc1nc(CC[N-]S(=O)(=O)c2cc(F)c(C)cc2F)sc1C(=O)[O-] ZINC000275167674 532867472 /nfs/dbraw/zinc/86/74/72/532867472.db2.gz BOCMJJKCIYVEQT-UHFFFAOYSA-N -2 3 376.406 2.257 20 0 GEADHL C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000275278365 532870827 /nfs/dbraw/zinc/87/08/27/532870827.db2.gz RNHDDWXGUYFIHH-AAEUAGOBSA-N -2 3 391.873 2.429 20 0 GEADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C(C)(C)C[C@H](C)C(=O)[O-] ZINC000275298512 532871451 /nfs/dbraw/zinc/87/14/51/532871451.db2.gz VGNCABQZPPUGDY-VIFPVBQESA-N -2 3 377.846 2.294 20 0 GEADHL O=C([O-])[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000275301025 532872088 /nfs/dbraw/zinc/87/20/88/532872088.db2.gz QMHLHESMMAAKCT-QMMMGPOBSA-N -2 3 394.140 2.272 20 0 GEADHL CCO[C@H]1C[C@]([N-]S(=O)(=O)c2cc(F)c(C)cc2F)(C(=O)[O-])C1(C)C ZINC000275528473 532877990 /nfs/dbraw/zinc/87/79/90/532877990.db2.gz BLOGYTDQHYAFQF-BBRMVZONSA-N -2 3 377.409 2.210 20 0 GEADHL CCOC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000290692045 532886759 /nfs/dbraw/zinc/88/67/59/532886759.db2.gz RHHUIUXAVVXFJO-VIFPVBQESA-N -2 3 375.752 2.127 20 0 GEADHL Cc1nnc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)s1 ZINC000290760254 532888769 /nfs/dbraw/zinc/88/87/69/532888769.db2.gz ZHTLVNLQZHYZKG-UHFFFAOYSA-N -2 3 396.277 2.373 20 0 GEADHL CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1C ZINC000735488950 598840739 /nfs/dbraw/zinc/84/07/39/598840739.db2.gz PWJPOSUVPSAZMR-UHFFFAOYSA-N -2 3 390.400 2.073 20 0 GEADHL CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000735488950 598840741 /nfs/dbraw/zinc/84/07/41/598840741.db2.gz PWJPOSUVPSAZMR-UHFFFAOYSA-N -2 3 390.400 2.073 20 0 GEADHL CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000736308373 598842838 /nfs/dbraw/zinc/84/28/38/598842838.db2.gz CSWRUGJCIOZOND-UHFFFAOYSA-N -2 3 390.400 2.155 20 0 GEADHL CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000736308373 598842839 /nfs/dbraw/zinc/84/28/39/598842839.db2.gz CSWRUGJCIOZOND-UHFFFAOYSA-N -2 3 390.400 2.155 20 0 GEADHL C[C@@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000735963945 598866695 /nfs/dbraw/zinc/86/66/95/598866695.db2.gz ROZHTJZVLLVTSP-VIFPVBQESA-N -2 3 393.860 2.488 20 0 GEADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cc1 ZINC000738214996 598867631 /nfs/dbraw/zinc/86/76/31/598867631.db2.gz OZLWFUANVCERGZ-UHFFFAOYSA-N -3 3 379.785 2.019 20 0 GEADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cc1 ZINC000738214996 598867632 /nfs/dbraw/zinc/86/76/32/598867632.db2.gz OZLWFUANVCERGZ-UHFFFAOYSA-N -3 3 379.785 2.019 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c(C(=O)[O-])c1 ZINC000737362494 598867728 /nfs/dbraw/zinc/86/77/28/598867728.db2.gz RCWPQSAXCLWKTP-UHFFFAOYSA-N -3 3 393.812 2.328 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c(C(=O)[O-])c1 ZINC000737362494 598867730 /nfs/dbraw/zinc/86/77/30/598867730.db2.gz RCWPQSAXCLWKTP-UHFFFAOYSA-N -3 3 393.812 2.328 20 0 GEADHL O=C([O-])c1ccc(NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000738213002 598924371 /nfs/dbraw/zinc/92/43/71/598924371.db2.gz DEBLIJZDBFIWIL-UHFFFAOYSA-N -2 3 379.785 2.019 20 0 GEADHL O=C([O-])c1ccc(NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000738213002 598924374 /nfs/dbraw/zinc/92/43/74/598924374.db2.gz DEBLIJZDBFIWIL-UHFFFAOYSA-N -2 3 379.785 2.019 20 0 GEADHL CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736647783 598948245 /nfs/dbraw/zinc/94/82/45/598948245.db2.gz UAYSCBPHJJQQPY-UHFFFAOYSA-N -2 3 389.437 2.383 20 0 GEADHL CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736647783 598948247 /nfs/dbraw/zinc/94/82/47/598948247.db2.gz UAYSCBPHJJQQPY-UHFFFAOYSA-N -2 3 389.437 2.383 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccc(Br)cn1 ZINC000737301052 598968676 /nfs/dbraw/zinc/96/86/76/598968676.db2.gz HCBOHLTYONHVBW-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C1(c2ccccc2)CCC1 ZINC000737299524 598976426 /nfs/dbraw/zinc/97/64/26/598976426.db2.gz RMLWGEKXSQQFNE-UHFFFAOYSA-N -2 3 397.460 2.102 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C1(c2ccccc2)CCC1 ZINC000737299524 598976429 /nfs/dbraw/zinc/97/64/29/598976429.db2.gz RMLWGEKXSQQFNE-UHFFFAOYSA-N -2 3 397.460 2.102 20 0 GEADHL CCc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000736690792 598974693 /nfs/dbraw/zinc/97/46/93/598974693.db2.gz VWTNHHSDDRNVQJ-ZDUSSCGKSA-N -2 3 399.476 2.346 20 0 GEADHL CCc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000736690792 598974695 /nfs/dbraw/zinc/97/46/95/598974695.db2.gz VWTNHHSDDRNVQJ-ZDUSSCGKSA-N -2 3 399.476 2.346 20 0 GEADHL Cc1cccc(C2(C(=O)[N-]S(=O)(=O)c3cc(-c4nnn[n-]4)ccc3C)CC2)c1 ZINC000737387991 598976694 /nfs/dbraw/zinc/97/66/94/598976694.db2.gz CRQQFJMKIJMBJF-UHFFFAOYSA-N -2 3 397.460 2.020 20 0 GEADHL Cc1cccc(C2(C(=O)[N-]S(=O)(=O)c3cc(-c4nn[n-]n4)ccc3C)CC2)c1 ZINC000737387991 598976697 /nfs/dbraw/zinc/97/66/97/598976697.db2.gz CRQQFJMKIJMBJF-UHFFFAOYSA-N -2 3 397.460 2.020 20 0 GEADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cc(-c2cccs2)[nH]n1 ZINC000737224825 599029643 /nfs/dbraw/zinc/02/96/43/599029643.db2.gz HROWQLOBPKUGAL-UHFFFAOYSA-N -2 3 387.450 2.428 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cc(-c2cccs2)[nH]n1 ZINC000737224825 599029644 /nfs/dbraw/zinc/02/96/44/599029644.db2.gz HROWQLOBPKUGAL-UHFFFAOYSA-N -2 3 387.450 2.428 20 0 GEADHL CCCC=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736438294 599218723 /nfs/dbraw/zinc/21/87/23/599218723.db2.gz IEUADPJWAUPXIW-SNAWJCMRSA-N -2 3 389.359 2.047 20 0 GEADHL CCCC=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736438294 599218726 /nfs/dbraw/zinc/21/87/26/599218726.db2.gz IEUADPJWAUPXIW-SNAWJCMRSA-N -2 3 389.359 2.047 20 0 GEADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000818985588 597146833 /nfs/dbraw/zinc/14/68/33/597146833.db2.gz YBTKMOKTDWERDM-UHFFFAOYSA-N -2 3 392.415 2.088 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)C(=O)[O-])c2)cc1 ZINC000485860849 597330648 /nfs/dbraw/zinc/33/06/48/597330648.db2.gz QRFUEBUOOURLQL-ZDUSSCGKSA-N -2 3 376.434 2.307 20 0 GEADHL C[C@@H](OC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl)C(=O)[O-] ZINC000737715049 597496527 /nfs/dbraw/zinc/49/65/27/597496527.db2.gz TZIIKNBKKVOAAX-ZCFIWIBFSA-N -2 3 382.221 2.064 20 0 GEADHL CCC=C(C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000736413541 598331790 /nfs/dbraw/zinc/33/17/90/598331790.db2.gz ZXESJFDQCPGAPY-XBXARRHUSA-N -2 3 389.359 2.047 20 0 GEADHL CCC=C(C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000736413541 598331791 /nfs/dbraw/zinc/33/17/91/598331791.db2.gz ZXESJFDQCPGAPY-XBXARRHUSA-N -2 3 389.359 2.047 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n(Cc2ccccc2)n1 ZINC000737281185 598437908 /nfs/dbraw/zinc/43/79/08/598437908.db2.gz RDHKCIGXTRFMNC-UHFFFAOYSA-N -2 3 395.448 2.221 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n(Cc2ccccc2)n1 ZINC000737281185 598437909 /nfs/dbraw/zinc/43/79/09/598437909.db2.gz RDHKCIGXTRFMNC-UHFFFAOYSA-N -2 3 395.448 2.221 20 0 GEADHL CC(C)c1ccc(S([O-])=CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735927837 598492177 /nfs/dbraw/zinc/49/21/77/598492177.db2.gz CRBNPHLIMNBCCM-MHZLTWQESA-N -2 3 383.477 2.414 20 0 GEADHL O=C(C[C@@H]1CCCc2ccccc21)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737824528 598516373 /nfs/dbraw/zinc/51/63/73/598516373.db2.gz XCFROGQPFIFWJP-AWEZNQCLSA-N -2 3 397.460 2.182 20 0 GEADHL O=C(C[C@@H]1CCCc2ccccc21)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737824528 598516375 /nfs/dbraw/zinc/51/63/75/598516375.db2.gz XCFROGQPFIFWJP-AWEZNQCLSA-N -2 3 397.460 2.182 20 0 GEADHL Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000737313148 598727902 /nfs/dbraw/zinc/72/79/02/598727902.db2.gz QPUDJNPBZMKGPE-UHFFFAOYSA-N -2 3 391.840 2.088 20 0 GEADHL Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000737313148 598727903 /nfs/dbraw/zinc/72/79/03/598727903.db2.gz QPUDJNPBZMKGPE-UHFFFAOYSA-N -2 3 391.840 2.088 20 0 GEADHL CC(C)Oc1ccc(NC(=O)C[C@@]2(C(=O)[O-])CCSC2)cc1-c1nnn[n-]1 ZINC000820160064 607366874 /nfs/dbraw/zinc/36/68/74/607366874.db2.gz FWNQWQYOOVMVON-KRWDZBQOSA-N -2 3 391.453 2.190 20 0 GEADHL CC(C)Oc1ccc(NC(=O)C[C@@]2(C(=O)[O-])CCSC2)cc1-c1nn[n-]n1 ZINC000820160064 607366875 /nfs/dbraw/zinc/36/68/75/607366875.db2.gz FWNQWQYOOVMVON-KRWDZBQOSA-N -2 3 391.453 2.190 20 0 GEADHL CC[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736334041 598784801 /nfs/dbraw/zinc/78/48/01/598784801.db2.gz RZMPTJNWPNBSCW-CYBMUJFWSA-N -2 3 385.449 2.256 20 0 GEADHL CC[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736334041 598784802 /nfs/dbraw/zinc/78/48/02/598784802.db2.gz RZMPTJNWPNBSCW-CYBMUJFWSA-N -2 3 385.449 2.256 20 0 GEADHL CC[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000736329959 598784950 /nfs/dbraw/zinc/78/49/50/598784950.db2.gz BDKXMVAWZSDJEG-CQSZACIVSA-N -2 3 399.476 2.397 20 0 GEADHL CC[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000736329959 598784951 /nfs/dbraw/zinc/78/49/51/598784951.db2.gz BDKXMVAWZSDJEG-CQSZACIVSA-N -2 3 399.476 2.397 20 0 GEADHL CC[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736334194 598785087 /nfs/dbraw/zinc/78/50/87/598785087.db2.gz UMYIPTCOCUFBOD-ZDUSSCGKSA-N -2 3 385.449 2.256 20 0 GEADHL CC[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736334194 598785089 /nfs/dbraw/zinc/78/50/89/598785089.db2.gz UMYIPTCOCUFBOD-ZDUSSCGKSA-N -2 3 385.449 2.256 20 0 GEADHL CC[C@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736353601 598785195 /nfs/dbraw/zinc/78/51/95/598785195.db2.gz OPNKJCYPBRLEMS-MRXNPFEDSA-N -2 3 399.476 2.082 20 0 GEADHL CC[C@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736353601 598785196 /nfs/dbraw/zinc/78/51/96/598785196.db2.gz OPNKJCYPBRLEMS-MRXNPFEDSA-N -2 3 399.476 2.082 20 0 GEADHL Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1O ZINC000737265503 599314500 /nfs/dbraw/zinc/31/45/00/599314500.db2.gz WGKCRJQFCODIBP-UHFFFAOYSA-N -2 3 383.792 2.474 20 0 GEADHL Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1O ZINC000737265503 599314503 /nfs/dbraw/zinc/31/45/03/599314503.db2.gz WGKCRJQFCODIBP-UHFFFAOYSA-N -2 3 383.792 2.474 20 0 GEADHL CC(C)(C)c1nsc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000735654524 599360850 /nfs/dbraw/zinc/36/08/50/599360850.db2.gz FCAUKNYREZNDFY-UHFFFAOYSA-N -2 3 399.889 2.470 20 0 GEADHL CC(C)(C)c1nsc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000735654524 599360851 /nfs/dbraw/zinc/36/08/51/599360851.db2.gz FCAUKNYREZNDFY-UHFFFAOYSA-N -2 3 399.889 2.470 20 0 GEADHL C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736200165 599515706 /nfs/dbraw/zinc/51/57/06/599515706.db2.gz CIDMCVMXZPACCA-HHQWOOOKSA-N -2 3 383.433 2.087 20 0 GEADHL C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736200165 599515708 /nfs/dbraw/zinc/51/57/08/599515708.db2.gz CIDMCVMXZPACCA-HHQWOOOKSA-N -2 3 383.433 2.087 20 0 GEADHL CC(=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C(C)(C)C ZINC000819765865 599622940 /nfs/dbraw/zinc/62/29/40/599622940.db2.gz STVWEBIZJSMYKW-VQHVLOKHSA-N -2 3 383.861 2.317 20 0 GEADHL CC(=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C(C)(C)C ZINC000819765865 599622941 /nfs/dbraw/zinc/62/29/41/599622941.db2.gz STVWEBIZJSMYKW-VQHVLOKHSA-N -2 3 383.861 2.317 20 0 GEADHL C[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820690461 599623054 /nfs/dbraw/zinc/62/30/54/599623054.db2.gz MGTMFIVPWMHUCL-ZJUUUORDSA-N -2 3 383.861 2.151 20 0 GEADHL C[C@@H]1CCC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820690461 599623055 /nfs/dbraw/zinc/62/30/55/599623055.db2.gz MGTMFIVPWMHUCL-ZJUUUORDSA-N -2 3 383.861 2.151 20 0 GEADHL Cc1cc(F)cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000822203065 599623087 /nfs/dbraw/zinc/62/30/87/599623087.db2.gz CGSVGYISQXWELN-UHFFFAOYSA-N -2 3 395.803 2.086 20 0 GEADHL Cc1cc(F)cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000822203065 599623088 /nfs/dbraw/zinc/62/30/88/599623088.db2.gz CGSVGYISQXWELN-UHFFFAOYSA-N -2 3 395.803 2.086 20 0 GEADHL Cc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000822227469 599623243 /nfs/dbraw/zinc/62/32/43/599623243.db2.gz JWWHRRFJAGJGOT-VIFPVBQESA-N -2 3 395.828 2.030 20 0 GEADHL Cc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000822227469 599623244 /nfs/dbraw/zinc/62/32/44/599623244.db2.gz JWWHRRFJAGJGOT-VIFPVBQESA-N -2 3 395.828 2.030 20 0 GEADHL CC(C)(C)OC(=O)N1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736274707 599774595 /nfs/dbraw/zinc/77/45/95/599774595.db2.gz WJROIOOZRKBIRP-NSHDSACASA-N -2 3 388.442 2.046 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)o1 ZINC000740175016 599775056 /nfs/dbraw/zinc/77/50/56/599775056.db2.gz BSRUZWOTLZYOEI-SNVBAGLBSA-N -2 3 386.376 2.061 20 0 GEADHL Cc1c(Cl)cccc1NC(=O)CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000738290406 599777158 /nfs/dbraw/zinc/77/71/58/599777158.db2.gz BXKQIEZGVODBOS-UHFFFAOYSA-N -2 3 386.813 2.247 20 0 GEADHL Cc1ccc(-c2nc(CC[N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)co2)cc1 ZINC000738491318 599777269 /nfs/dbraw/zinc/77/72/69/599777269.db2.gz TXPOZVXNUQLONF-UHFFFAOYSA-N -2 3 376.390 2.462 20 0 GEADHL CCCCN(CCCC)S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825282705 607399070 /nfs/dbraw/zinc/39/90/70/607399070.db2.gz XBDWHSHTYRKQOX-UHFFFAOYSA-N -2 3 394.501 2.052 20 0 GEADHL CCCCN(CCCC)S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825282705 607399071 /nfs/dbraw/zinc/39/90/71/607399071.db2.gz XBDWHSHTYRKQOX-UHFFFAOYSA-N -2 3 394.501 2.052 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N(C)CC(=O)[O-] ZINC000427727469 599852409 /nfs/dbraw/zinc/85/24/09/599852409.db2.gz LNXAWBGYANVORC-UHFFFAOYSA-N -2 3 380.397 2.092 20 0 GEADHL CSc1ccc([C@H](CC(=O)[O-])NC(=O)Cc2c(C)nc(C)[n-]c2=O)cc1 ZINC000738199408 599853099 /nfs/dbraw/zinc/85/30/99/599853099.db2.gz AZALBMOGBKTVFA-HNNXBMFYSA-N -2 3 375.450 2.396 20 0 GEADHL Cn1ccnc1-c1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000739043998 599885895 /nfs/dbraw/zinc/88/58/95/599885895.db2.gz VMZDKNHMLZZAHU-UHFFFAOYSA-N -2 3 387.417 2.351 20 0 GEADHL CNC(=O)CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1 ZINC000477403166 599908235 /nfs/dbraw/zinc/90/82/35/599908235.db2.gz HJPWWQCIMUJQFL-UHFFFAOYSA-N -2 3 392.433 2.009 20 0 GEADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000737690614 599979715 /nfs/dbraw/zinc/97/97/15/599979715.db2.gz DCLFZBMPKDDNPJ-OAHLLOKOSA-N -2 3 395.408 2.497 20 0 GEADHL O=C([O-])NCc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000739984373 600332907 /nfs/dbraw/zinc/33/29/07/600332907.db2.gz DVDIEHVGCXAAEW-MRXNPFEDSA-N -2 3 383.404 2.403 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(Br)cc2F)o1 ZINC000740176632 600349851 /nfs/dbraw/zinc/34/98/51/600349851.db2.gz LWCKVXSOQQIPCZ-UHFFFAOYSA-N -2 3 378.175 2.358 20 0 GEADHL COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)ccc1F ZINC000737666952 600543276 /nfs/dbraw/zinc/54/32/76/600543276.db2.gz XGSSTKZVCRSBDL-UHFFFAOYSA-N -2 3 383.353 2.120 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2C)cc1C(=O)[O-] ZINC000609730465 600545434 /nfs/dbraw/zinc/54/54/34/600545434.db2.gz MBVICDHWJXVFKP-RUZDIDTESA-N -2 3 397.474 2.381 20 0 GEADHL CC(C)(C)OC(=O)NC1CCC([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000736271181 600588463 /nfs/dbraw/zinc/58/84/63/600588463.db2.gz AVMRUYJRCGWDFE-UHFFFAOYSA-N -2 3 388.442 2.092 20 0 GEADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(CC(=O)[O-])c2ccccc2)ccc1F ZINC000736478398 600606720 /nfs/dbraw/zinc/60/67/20/600606720.db2.gz ZSZICVXUAUUIOB-UHFFFAOYSA-N -2 3 394.424 2.244 20 0 GEADHL COCCCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000737759326 600633562 /nfs/dbraw/zinc/63/35/62/600633562.db2.gz HRULVVDECULACS-UHFFFAOYSA-N -2 3 398.250 2.381 20 0 GEADHL CC(C)(C)OC(=O)N1CCCC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000736272635 600651246 /nfs/dbraw/zinc/65/12/46/600651246.db2.gz IPBLJZKFFSZGGO-LLVKDONJSA-N -2 3 388.442 2.046 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1OC ZINC000262526812 600658700 /nfs/dbraw/zinc/65/87/00/600658700.db2.gz HBKWCYZGAIHLHS-RYUDHWBXSA-N -2 3 384.454 2.286 20 0 GEADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(=O)OC)c2)cc1 ZINC000830094435 600687935 /nfs/dbraw/zinc/68/79/35/600687935.db2.gz CPAXCSJATVTTFL-UHFFFAOYSA-N -2 3 379.390 2.371 20 0 GEADHL COc1ccc([N-]S(=O)(=O)c2ccc(N3CCOC3=O)cc2)c(C(=O)[O-])c1 ZINC000738041904 600693628 /nfs/dbraw/zinc/69/36/28/600693628.db2.gz PFJRQWAWUSFQKE-UHFFFAOYSA-N -2 3 392.389 2.151 20 0 GEADHL COC(=O)Nc1ccc(C(=O)OCC(=O)Nc2cccc(C(=O)[O-])c2)cc1[O-] ZINC000831210785 600730247 /nfs/dbraw/zinc/73/02/47/600730247.db2.gz UOJAQEOZGOEVEJ-UHFFFAOYSA-N -2 3 388.332 2.064 20 0 GEADHL CC[C@]([N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1)(C(=O)OC)c1ccccc1 ZINC000828994416 600742106 /nfs/dbraw/zinc/74/21/06/600742106.db2.gz ZJAXOLWRHAAVFE-LJQANCHMSA-N -2 3 391.445 2.450 20 0 GEADHL CCC(CC)(C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)NC(=O)OC(C)(C)C ZINC000828820853 600791009 /nfs/dbraw/zinc/79/10/09/600791009.db2.gz UZUWFIQNOPBMIT-UHFFFAOYSA-N -2 3 390.458 2.340 20 0 GEADHL COC(=O)CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000064479354 600812219 /nfs/dbraw/zinc/81/22/19/600812219.db2.gz OOBQMMNBGJGGPU-UHFFFAOYSA-N -2 3 393.417 2.436 20 0 GEADHL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1NC(C)=O ZINC000506645566 600887446 /nfs/dbraw/zinc/88/74/46/600887446.db2.gz JOMMVTYASANFDS-UHFFFAOYSA-N -2 3 378.406 2.461 20 0 GEADHL COc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1OC ZINC000582001107 601220608 /nfs/dbraw/zinc/22/06/08/601220608.db2.gz WVRQSPZNSFMRQV-SNVBAGLBSA-N -2 3 383.422 2.213 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCCN(c3ccc(C)cc3)C2=O)cc1C(=O)[O-] ZINC000832937668 601223471 /nfs/dbraw/zinc/22/34/71/601223471.db2.gz AWVDSFAJUBNTQN-HNNXBMFYSA-N -2 3 392.433 2.069 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@@H](Cc2nccn2C)c2ccccc2)cc1C(=O)[O-] ZINC000833028879 601224194 /nfs/dbraw/zinc/22/41/94/601224194.db2.gz RRMGBVZWVPGZJG-HNNXBMFYSA-N -2 3 389.433 2.282 20 0 GEADHL C[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)N1CCc2ccccc21 ZINC000827507597 601230350 /nfs/dbraw/zinc/23/03/50/601230350.db2.gz LHUXBROLZCWAEL-NSHDSACASA-N -2 3 396.415 2.393 20 0 GEADHL COC[C@H]([N-]S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1)c1ccc(C)o1 ZINC000521999307 601261655 /nfs/dbraw/zinc/26/16/55/601261655.db2.gz VMTAOXOKSLIYCD-HNNXBMFYSA-N -2 3 383.422 2.108 20 0 GEADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)c(C)o1 ZINC000262727503 601281145 /nfs/dbraw/zinc/28/11/45/601281145.db2.gz CERJVDLRCHWCAU-UHFFFAOYSA-N -2 3 396.421 2.234 20 0 GEADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(-n3cnnn3)c(C)c2)c1C ZINC000028261437 601320865 /nfs/dbraw/zinc/32/08/65/601320865.db2.gz ICFIQFFYQOQIFS-UHFFFAOYSA-N -2 3 387.421 2.087 20 0 GEADHL COC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000831123737 601323464 /nfs/dbraw/zinc/32/34/64/601323464.db2.gz CNESFCDXHZTFIO-NYYWCZLTSA-N -2 3 391.401 2.137 20 0 GEADHL Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)ccc1=O ZINC000319995783 601325606 /nfs/dbraw/zinc/32/56/06/601325606.db2.gz KWYYKRVKTKANGI-UHFFFAOYSA-N -2 3 377.205 2.191 20 0 GEADHL Cc1[nH]c(C(=O)[C@H](C)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c(C)c1C(=O)[O-] ZINC000832842592 601388538 /nfs/dbraw/zinc/38/85/38/601388538.db2.gz FUFUGFBPWHWARO-AWEZNQCLSA-N -2 3 399.447 2.065 20 0 GEADHL C/C(=C/COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C(=O)[O-] ZINC000825774764 601417212 /nfs/dbraw/zinc/41/72/12/601417212.db2.gz HIRGYIPFLGHJNV-POHAHGRESA-N -2 3 382.369 2.142 20 0 GEADHL O=C([O-])CC1(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCC1 ZINC000532259680 601433965 /nfs/dbraw/zinc/43/39/65/601433965.db2.gz GXLOXSQPNVUWLR-UHFFFAOYSA-N -2 3 379.210 2.418 20 0 GEADHL CC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C(=O)[O-] ZINC000486202408 601754493 /nfs/dbraw/zinc/75/44/93/601754493.db2.gz CKNRLNHONMDWJA-CQSZACIVSA-N -2 3 380.397 2.220 20 0 GEADHL C[C@@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C[C@@H]1C(=O)[O-] ZINC000828388398 601758125 /nfs/dbraw/zinc/75/81/25/601758125.db2.gz YFYMCQQYTWEZQK-KCJUWKMLSA-N -2 3 379.210 2.083 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-n3nccn3)cc2)cc(F)c1F ZINC000751147803 601835398 /nfs/dbraw/zinc/83/53/98/601835398.db2.gz VDYIHEIWHKXDDA-UHFFFAOYSA-N -2 3 380.332 2.045 20 0 GEADHL CC(=O)Nc1cc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)ccc1C ZINC000823999640 607533047 /nfs/dbraw/zinc/53/30/47/607533047.db2.gz FQDIQVHQZPRLOH-UHFFFAOYSA-N -2 3 386.437 2.243 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)nc2)c1-c1nnn[n-]1 ZINC000826303768 607534616 /nfs/dbraw/zinc/53/46/16/607534616.db2.gz DKYSSJYHXGZXLQ-UHFFFAOYSA-N -2 3 393.432 2.433 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2cnc(-c3ccccc3)nc2)c1-c1nn[n-]n1 ZINC000826303768 607534618 /nfs/dbraw/zinc/53/46/18/607534618.db2.gz DKYSSJYHXGZXLQ-UHFFFAOYSA-N -2 3 393.432 2.433 20 0 GEADHL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000825705067 607535022 /nfs/dbraw/zinc/53/50/22/607535022.db2.gz VNJBKMVNPKYPIA-UHFFFAOYSA-N -3 3 387.421 2.237 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c(N(C)C)n1 ZINC000826291544 607532434 /nfs/dbraw/zinc/53/24/34/607532434.db2.gz KSLBYVQRJURRNI-UHFFFAOYSA-N -2 3 393.860 2.090 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c(N(C)C)n1 ZINC000826291544 607532435 /nfs/dbraw/zinc/53/24/35/607532435.db2.gz KSLBYVQRJURRNI-UHFFFAOYSA-N -2 3 393.860 2.090 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)cc(C(=O)[O-])c1F ZINC000763281660 601984276 /nfs/dbraw/zinc/98/42/76/601984276.db2.gz QTEFAJQAGVGJNM-UHFFFAOYSA-N -3 3 397.380 2.487 20 0 GEADHL CCc1cc(=O)[n-]c(CN2CCc3cc(OC)c(OC)cc3[C@@H]2CC(=O)[O-])n1 ZINC000566362494 602232878 /nfs/dbraw/zinc/23/28/78/602232878.db2.gz SPZMXLJWKYQOEX-HNNXBMFYSA-N -2 3 387.436 2.336 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(=O)[O-])ccc1O ZINC000739781415 602243889 /nfs/dbraw/zinc/24/38/89/602243889.db2.gz VWPOAOFQRRQAOF-UHFFFAOYSA-N -2 3 392.389 2.020 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCOc2ncc(Cl)cc2Cl)o1 ZINC000833323290 602328514 /nfs/dbraw/zinc/32/85/14/602328514.db2.gz OYIZDZQTASTEDN-UHFFFAOYSA-N -2 3 381.193 2.037 20 0 GEADHL COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)cc1 ZINC000739764967 602645738 /nfs/dbraw/zinc/64/57/38/602645738.db2.gz PAJOPOSBZVLMQG-UHFFFAOYSA-N -2 3 380.378 2.129 20 0 GEADHL O=C([O-])N1CCC[C@H](CC[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000740507095 602880340 /nfs/dbraw/zinc/88/03/40/602880340.db2.gz NYXUNHBTXVVTNT-SECBINFHSA-N -2 3 382.269 2.447 20 0 GEADHL O=C([O-])Nc1ccc(OC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000738668404 602962666 /nfs/dbraw/zinc/96/26/66/602962666.db2.gz ARBGNSKISDASER-UHFFFAOYSA-N -2 3 390.826 2.375 20 0 GEADHL Cc1[nH]nc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1C ZINC000826322603 607655781 /nfs/dbraw/zinc/65/57/81/607655781.db2.gz UCDCYYXMBHGGIM-UHFFFAOYSA-N -2 3 387.347 2.026 20 0 GEADHL Cc1[nH]nc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1C ZINC000826322603 607655783 /nfs/dbraw/zinc/65/57/83/607655783.db2.gz UCDCYYXMBHGGIM-UHFFFAOYSA-N -2 3 387.347 2.026 20 0 GEADHL C[C@H](NC(=O)[O-])c1ccc(CNC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000825389738 604308535 /nfs/dbraw/zinc/30/85/35/604308535.db2.gz VVNNPLIJZGFBRN-JTQLQIEISA-N -2 3 382.376 2.221 20 0 GEADHL COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc3c(cc2[O-])OCO3)cc1OC ZINC000833732063 604691071 /nfs/dbraw/zinc/69/10/71/604691071.db2.gz JXIVTNQLAPKGKJ-GFCCVEGCSA-N -2 3 389.360 2.084 20 0 GEADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@@H]3CN(C(=O)[O-])CCO3)c2)n1 ZINC000827556029 604718442 /nfs/dbraw/zinc/71/84/42/604718442.db2.gz CMIWOAJWKWUEKH-OAHLLOKOSA-N -2 3 386.408 2.119 20 0 GEADHL CC1(C)CCC(CC(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824795692 607776388 /nfs/dbraw/zinc/77/63/88/607776388.db2.gz CBBBDHPZDAGWGF-UHFFFAOYSA-N -2 3 377.470 2.278 20 0 GEADHL COC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1Cl ZINC000433615498 604808201 /nfs/dbraw/zinc/80/82/01/604808201.db2.gz IXNJFFWFXIHXOG-UHFFFAOYSA-N -2 3 399.808 2.391 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCOC3(CCSCC3)C2)cc1C(=O)[O-] ZINC000833028946 604814177 /nfs/dbraw/zinc/81/41/77/604814177.db2.gz UVWLFNWQMXVWBB-NSHDSACASA-N -2 3 375.468 2.009 20 0 GEADHL CN1CC[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)[C@@H]1c1ccc(Cl)cc1 ZINC000833697349 604909483 /nfs/dbraw/zinc/90/94/83/604909483.db2.gz FPULLMXSTQWWFS-WFASDCNBSA-N -2 3 384.841 2.355 20 0 GEADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]CCc1ccc(NC(=O)[O-])cc1 ZINC000833716250 605029851 /nfs/dbraw/zinc/02/98/51/605029851.db2.gz XXXMPXKDCNAQDY-UHFFFAOYSA-N -2 3 396.396 2.223 20 0 GEADHL C[C@H](c1ccccc1)[C@@H](CO)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000833549309 605036353 /nfs/dbraw/zinc/03/63/53/605036353.db2.gz PZTRZJXTQZWZRM-ZWNOBZJWSA-N -2 3 385.388 2.106 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])cc1CC(=O)[O-] ZINC000537038064 605041354 /nfs/dbraw/zinc/04/13/54/605041354.db2.gz OPENJJBAJHLSNM-UHFFFAOYSA-N -3 3 379.390 2.130 20 0 GEADHL C[C@H]([N-]S(=O)(=O)c1ccccc1C(=O)[O-])c1nc(Cc2ccccc2)no1 ZINC000833523462 605044634 /nfs/dbraw/zinc/04/46/34/605044634.db2.gz PKYKEBCHIWWUBZ-LBPRGKRZSA-N -2 3 387.417 2.398 20 0 GEADHL Cc1cc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000267219092 605161350 /nfs/dbraw/zinc/16/13/50/605161350.db2.gz IYDYUANBBUSRJD-UHFFFAOYSA-N -2 3 394.424 2.470 20 0 GEADHL CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833477690 605201720 /nfs/dbraw/zinc/20/17/20/605201720.db2.gz LXRCQWDMYHHLHQ-LBPRGKRZSA-N -2 3 390.458 2.196 20 0 GEADHL O=C([O-])NCc1nc(-c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)n[nH]1 ZINC000832730529 605353461 /nfs/dbraw/zinc/35/34/61/605353461.db2.gz TYKKPRWGNLAXKZ-UHFFFAOYSA-N -2 3 391.384 2.179 20 0 GEADHL O=C([O-])NCc1nnc(-c2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2)[nH]1 ZINC000832729984 605353648 /nfs/dbraw/zinc/35/36/48/605353648.db2.gz MVGCFYHHNARXID-UHFFFAOYSA-N -2 3 391.384 2.179 20 0 GEADHL Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H]2CCN(C(=O)[O-])C2)s1 ZINC000833897164 605427157 /nfs/dbraw/zinc/42/71/57/605427157.db2.gz FQSBBEAYOGMFJB-MRVPVSSYSA-N -2 3 383.289 2.097 20 0 GEADHL O=C([O-])N1CCc2cccc(CN3CCN(C(=O)c4ccccc4[O-])CC3)c21 ZINC000834288773 605532981 /nfs/dbraw/zinc/53/29/81/605532981.db2.gz XWGNRXFVBGHXDN-UHFFFAOYSA-N -2 3 381.432 2.391 20 0 GEADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C[C@@H]3CSCCN3C(=O)[O-])cc2)n1 ZINC000829894311 605642292 /nfs/dbraw/zinc/64/22/92/605642292.db2.gz POIVEVHAIIAAKX-CQSZACIVSA-N -2 3 388.449 2.169 20 0 GEADHL CC(C)(CNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(=O)[O-] ZINC000833458424 605717704 /nfs/dbraw/zinc/71/77/04/605717704.db2.gz SQBUAUWAZSOXJM-KRWDZBQOSA-N -2 3 384.432 2.480 20 0 GEADHL COc1ncc(C)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821920440 606163014 /nfs/dbraw/zinc/16/30/14/606163014.db2.gz RZHIQGNPFYFZAE-UHFFFAOYSA-N -2 3 380.817 2.033 20 0 GEADHL COc1ncc(C)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821920440 606163015 /nfs/dbraw/zinc/16/30/15/606163015.db2.gz RZHIQGNPFYFZAE-UHFFFAOYSA-N -2 3 380.817 2.033 20 0 GEADHL CCCOc1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)cc1 ZINC000821134227 606211856 /nfs/dbraw/zinc/21/18/56/606211856.db2.gz PEWNSPZWQDPQEH-UHFFFAOYSA-N -2 3 375.410 2.162 20 0 GEADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1ccccc1C(F)(F)F ZINC000823583471 606338016 /nfs/dbraw/zinc/33/80/16/606338016.db2.gz RAMDNWLJJNWCCZ-UHFFFAOYSA-N -2 3 385.327 2.392 20 0 GEADHL Cc1nc(-c2ccc(C)c([N-]S(=O)(=O)c3ccccc3-c3nn[n-]n3)c2)n[nH]1 ZINC000822418660 606395732 /nfs/dbraw/zinc/39/57/32/606395732.db2.gz CAUSYCPPRWMKHS-UHFFFAOYSA-N -2 3 396.436 2.069 20 0 GEADHL CC(C)(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000819898094 606433466 /nfs/dbraw/zinc/43/34/66/606433466.db2.gz CRBJTYZECKJTNR-UHFFFAOYSA-N -2 3 386.437 2.291 20 0 GEADHL O=S(=O)([N-]c1nnc(Cc2ccccc2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823589007 606469618 /nfs/dbraw/zinc/46/96/18/606469618.db2.gz HSIHCNXHWRZXSJ-UHFFFAOYSA-N -2 3 399.461 2.110 20 0 GEADHL O=S(=O)([N-]c1nnc(Cc2ccccc2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823589007 606469619 /nfs/dbraw/zinc/46/96/19/606469619.db2.gz HSIHCNXHWRZXSJ-UHFFFAOYSA-N -2 3 399.461 2.110 20 0 GEADHL O=S(=O)([N-]c1nnc(C2CC2)s1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000823589388 606469622 /nfs/dbraw/zinc/46/96/22/606469622.db2.gz XOFDKSDAGWIUIT-UHFFFAOYSA-N -2 3 383.846 2.050 20 0 GEADHL O=S(=O)([N-]c1nnc(C2CC2)s1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000823589388 606469623 /nfs/dbraw/zinc/46/96/23/606469623.db2.gz XOFDKSDAGWIUIT-UHFFFAOYSA-N -2 3 383.846 2.050 20 0 GEADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2cccc3ncccc32)c1 ZINC000821589526 606751378 /nfs/dbraw/zinc/75/13/78/606751378.db2.gz RQMSYJMFVWYEAK-UHFFFAOYSA-N -2 3 395.448 2.282 20 0 GEADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2ccc3ncccc3c2)c1 ZINC000821589588 606820394 /nfs/dbraw/zinc/82/03/94/606820394.db2.gz VCEYKPCCOBVSEF-UHFFFAOYSA-N -2 3 395.448 2.282 20 0 GEADHL COCc1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000821695882 606864233 /nfs/dbraw/zinc/86/42/33/606864233.db2.gz LSPBEHFMYTUFHE-UHFFFAOYSA-N -2 3 381.364 2.092 20 0 GEADHL COCc1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000821695882 606864234 /nfs/dbraw/zinc/86/42/34/606864234.db2.gz LSPBEHFMYTUFHE-UHFFFAOYSA-N -2 3 381.364 2.092 20 0 GEADHL Cc1cc(Cl)cc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822202211 606917801 /nfs/dbraw/zinc/91/78/01/606917801.db2.gz PTFRSIBEFWMFRD-UHFFFAOYSA-N -2 3 391.840 2.088 20 0 GEADHL Cc1cc(Cl)cc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822202211 606917804 /nfs/dbraw/zinc/91/78/04/606917804.db2.gz PTFRSIBEFWMFRD-UHFFFAOYSA-N -2 3 391.840 2.088 20 0 GEADHL O=S(=O)([N-]c1cccc(OCCF)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823588879 607113545 /nfs/dbraw/zinc/11/35/45/607113545.db2.gz DMBBBRBLSYAJLP-UHFFFAOYSA-N -2 3 381.364 2.155 20 0 GEADHL O=S(=O)([N-]c1cccc(OCCF)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823588879 607113546 /nfs/dbraw/zinc/11/35/46/607113546.db2.gz DMBBBRBLSYAJLP-UHFFFAOYSA-N -2 3 381.364 2.155 20 0 GEADHL O=S(=O)([N-][C@H]1CCCC(F)(F)C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572201 607146330 /nfs/dbraw/zinc/14/63/30/607146330.db2.gz DPEHFGIFGBPOMY-QMMMGPOBSA-N -2 3 379.339 2.001 20 0 GEADHL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000821698476 607155437 /nfs/dbraw/zinc/15/54/37/607155437.db2.gz LWTRFVVWOKWKHT-UHFFFAOYSA-N -2 3 381.364 2.263 20 0 GEADHL CCc1cc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000821469576 607157965 /nfs/dbraw/zinc/15/79/65/607157965.db2.gz GHEANUZGLUOCNJ-UHFFFAOYSA-N -2 3 395.828 2.103 20 0 GEADHL CCc1cc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000821469576 607157968 /nfs/dbraw/zinc/15/79/68/607157968.db2.gz GHEANUZGLUOCNJ-UHFFFAOYSA-N -2 3 395.828 2.103 20 0 GEADHL CC1(C)CCC(CC(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824795692 607776387 /nfs/dbraw/zinc/77/63/87/607776387.db2.gz CBBBDHPZDAGWGF-UHFFFAOYSA-N -2 3 377.470 2.278 20 0 GEADHL Cc1ccc(Cl)cc1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826289208 607806649 /nfs/dbraw/zinc/80/66/49/607806649.db2.gz PQZSTKWCZXILIA-UHFFFAOYSA-N -2 3 391.840 2.088 20 0 GEADHL Cc1ccc(Cl)cc1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826289208 607806650 /nfs/dbraw/zinc/80/66/50/607806650.db2.gz PQZSTKWCZXILIA-UHFFFAOYSA-N -2 3 391.840 2.088 20 0 GEADHL Cc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000826278769 607809693 /nfs/dbraw/zinc/80/96/93/607809693.db2.gz RPVQCEAWRYUJIR-UHFFFAOYSA-N -2 3 387.421 2.291 20 0 GEADHL CC(C)(C)SCCCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000824123626 607836419 /nfs/dbraw/zinc/83/64/19/607836419.db2.gz IQLPYTZWDOOFNW-UHFFFAOYSA-N -2 3 397.526 2.125 20 0 GEADHL CC(C)(C)SCCCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000824123626 607836420 /nfs/dbraw/zinc/83/64/20/607836420.db2.gz IQLPYTZWDOOFNW-UHFFFAOYSA-N -2 3 397.526 2.125 20 0 GEADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000826450262 607922762 /nfs/dbraw/zinc/92/27/62/607922762.db2.gz DJIYENCFFZMCEV-UMVBOHGHSA-N -2 3 389.481 2.278 20 0 GEADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000826450262 607922763 /nfs/dbraw/zinc/92/27/63/607922763.db2.gz DJIYENCFFZMCEV-UMVBOHGHSA-N -2 3 389.481 2.278 20 0 GEADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000826450261 607922877 /nfs/dbraw/zinc/92/28/77/607922877.db2.gz DJIYENCFFZMCEV-KCQAQPDRSA-N -2 3 389.481 2.278 20 0 GEADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000826450261 607922878 /nfs/dbraw/zinc/92/28/78/607922878.db2.gz DJIYENCFFZMCEV-KCQAQPDRSA-N -2 3 389.481 2.278 20 0 GEADHL CCc1c([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cnn1CC(C)C ZINC000825693702 607933377 /nfs/dbraw/zinc/93/33/77/607933377.db2.gz AVPOJINLLPXGCR-UHFFFAOYSA-N -2 3 389.485 2.391 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cnn1CC(C)C ZINC000826243036 608269906 /nfs/dbraw/zinc/26/99/06/608269906.db2.gz REGBKDSZPZXHDY-UHFFFAOYSA-N -2 3 395.876 2.482 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cnn1CC(C)C ZINC000826243036 608269907 /nfs/dbraw/zinc/26/99/07/608269907.db2.gz REGBKDSZPZXHDY-UHFFFAOYSA-N -2 3 395.876 2.482 20 0 GEADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccc(COC)cc1 ZINC000825632111 608391985 /nfs/dbraw/zinc/39/19/85/608391985.db2.gz LIRZRZFQPFKYLD-UHFFFAOYSA-N -2 3 389.437 2.213 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]C(=O)C=Cc2ccccc2-c2nnn[n-]2)sc1C ZINC000826272418 608476524 /nfs/dbraw/zinc/47/65/24/608476524.db2.gz INIZUECDMDBMER-FPLPWBNLSA-N -2 3 389.462 2.063 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]C(=O)C=Cc2ccccc2-c2nn[n-]n2)sc1C ZINC000826272418 608476525 /nfs/dbraw/zinc/47/65/25/608476525.db2.gz INIZUECDMDBMER-FPLPWBNLSA-N -2 3 389.462 2.063 20 0 GEADHL Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824857824 608493802 /nfs/dbraw/zinc/49/38/02/608493802.db2.gz GEWNZUMJUVAVSU-KRWDZBQOSA-N -2 3 389.419 2.461 20 0 GEADHL Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824857824 608493804 /nfs/dbraw/zinc/49/38/04/608493804.db2.gz GEWNZUMJUVAVSU-KRWDZBQOSA-N -2 3 389.419 2.461 20 0 GEADHL Cc1[n-]n(-c2ccccc2Cl)c(=O)c1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824860906 608493845 /nfs/dbraw/zinc/49/38/45/608493845.db2.gz ZDSCDSJPCGODMC-HNNXBMFYSA-N -2 3 395.810 2.498 20 0 GEADHL Cc1[n-]n(-c2ccccc2Cl)c(=O)c1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824860906 608493847 /nfs/dbraw/zinc/49/38/47/608493847.db2.gz ZDSCDSJPCGODMC-HNNXBMFYSA-N -2 3 395.810 2.498 20 0 GEADHL CC1(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CCCCCC1 ZINC000824784397 609355316 /nfs/dbraw/zinc/35/53/16/609355316.db2.gz SAXSKDJMNUDLFP-UHFFFAOYSA-N -2 3 377.470 2.173 20 0 GEADHL CC1(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CCCCCC1 ZINC000824784397 609355318 /nfs/dbraw/zinc/35/53/18/609355318.db2.gz SAXSKDJMNUDLFP-UHFFFAOYSA-N -2 3 377.470 2.173 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)nc1Br ZINC000826291736 609500464 /nfs/dbraw/zinc/50/04/64/609500464.db2.gz TZMMEHOTEISZJN-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL O=S(=O)([N-]c1cccnc1Nc1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826493231 609520559 /nfs/dbraw/zinc/52/05/59/609520559.db2.gz ZYQIGBNWDXXWFT-UHFFFAOYSA-N -2 3 394.420 2.201 20 0 GEADHL COc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826180764 609525964 /nfs/dbraw/zinc/52/59/64/609525964.db2.gz WEFMIFHHCOVUKQ-UHFFFAOYSA-N -2 3 383.792 2.469 20 0 GEADHL COc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826180764 609525967 /nfs/dbraw/zinc/52/59/67/609525967.db2.gz WEFMIFHHCOVUKQ-UHFFFAOYSA-N -2 3 383.792 2.469 20 0 GEADHL O=S(=O)([N-]c1cc(C(F)(F)F)[nH]n1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826492573 609530955 /nfs/dbraw/zinc/53/09/55/609530955.db2.gz RTLLRUIJFFLPLZ-UHFFFAOYSA-N -2 3 393.738 2.063 20 0 GEADHL O=S(=O)([N-]c1cc(C(F)(F)F)[nH]n1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826492573 609530958 /nfs/dbraw/zinc/53/09/58/609530958.db2.gz RTLLRUIJFFLPLZ-UHFFFAOYSA-N -2 3 393.738 2.063 20 0 GEADHL COCc1c2ccccc2oc1C(=O)[N-]c1nnc([N-]S(C)(=O)=O)s1 ZINC000515879580 650595560 /nfs/dbraw/zinc/59/55/60/650595560.db2.gz SFYIBXFHHRYJQS-UHFFFAOYSA-N -2 3 382.423 2.055 20 0 GEADHL O=C([O-])c1csc(S(=O)(=O)[N-]c2cc(Br)c[nH]c2=O)c1 ZINC000480221112 650617928 /nfs/dbraw/zinc/61/79/28/650617928.db2.gz SKVQRAGARNSZQE-UHFFFAOYSA-N -2 3 379.213 2.110 20 0 GEADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](CCC(C)(C)C)C(=O)[O-] ZINC000485053256 650692546 /nfs/dbraw/zinc/69/25/46/650692546.db2.gz KHYXUQGEASJGGZ-NSHDSACASA-N -2 3 375.418 2.170 20 0 GEADHL Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000530339419 650722174 /nfs/dbraw/zinc/72/21/74/650722174.db2.gz TVXTUVFAAYYISO-MRVPVSSYSA-N -2 3 397.297 2.380 20 0 GEADHL COC(=O)c1csc(S(=O)(=O)[N-]C2(C(=O)[O-])CCC(C)(C)CC2)c1 ZINC000543789235 650924163 /nfs/dbraw/zinc/92/41/63/650924163.db2.gz XXOSIHFEQOFJAR-UHFFFAOYSA-N -2 3 375.468 2.237 20 0 GEADHL COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C1(C(=O)[O-])CC1 ZINC000201854780 645383564 /nfs/dbraw/zinc/38/35/64/645383564.db2.gz GFZAUBVOLGSRPF-UHFFFAOYSA-N -2 3 384.635 2.007 20 0 GEADHL CC(C)(C)[C@H](C[N-]S(=O)(=O)c1ccc(Br)cn1)CC(=O)[O-] ZINC000547577000 651034111 /nfs/dbraw/zinc/03/41/11/651034111.db2.gz ZNMYHULUWPILNJ-VIFPVBQESA-N -2 3 379.276 2.259 20 0 GEADHL O=C([O-])[C@H](Cc1c[nH]cn1)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000547869025 651048578 /nfs/dbraw/zinc/04/85/78/651048578.db2.gz HMWNLGRPOVJXIU-JTQLQIEISA-N -2 3 397.762 2.056 20 0 GEADHL O=C([O-])[C@H](Cc1cnc[nH]1)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000547869025 651048581 /nfs/dbraw/zinc/04/85/81/651048581.db2.gz HMWNLGRPOVJXIU-JTQLQIEISA-N -2 3 397.762 2.056 20 0 GEADHL O=C([O-])Cc1csc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2F)n1 ZINC000547878592 651050200 /nfs/dbraw/zinc/05/02/00/651050200.db2.gz UBUYVIQEMJWAIS-UHFFFAOYSA-N -2 3 378.834 2.084 20 0 GEADHL COC(=O)[C@H](C)CS(=O)(=O)[N-]c1ccc(C)cc1SCCC(=O)[O-] ZINC000274932749 646335324 /nfs/dbraw/zinc/33/53/24/646335324.db2.gz PIIAUVQNTPLNKC-LLVKDONJSA-N -2 3 375.468 2.113 20 0 GEADHL CSCC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000274992684 646340086 /nfs/dbraw/zinc/34/00/86/646340086.db2.gz ZICWZRJFRZJZSU-SECBINFHSA-N -2 3 386.264 2.073 20 0 GEADHL O=C([O-])[C@@H]1C=C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000274993631 646340612 /nfs/dbraw/zinc/34/06/12/646340612.db2.gz KYWUMCCFEWAUMA-VXNVDRBHSA-N -2 3 380.647 2.410 20 0 GEADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CCCC(=O)[O-])C(=O)[O-])c1Cl ZINC000278665467 646536897 /nfs/dbraw/zinc/53/68/97/646536897.db2.gz KSAMLFISOHCVPN-SECBINFHSA-N -3 3 384.237 2.288 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1ccccc1F ZINC000548195989 651067255 /nfs/dbraw/zinc/06/72/55/651067255.db2.gz KDKVWGCNOPOBKH-NSHDSACASA-N -2 3 378.175 2.285 20 0 GEADHL Cc1ncc(S(=O)(=O)[N-][C@@H](Cc2ccc(OC(F)F)cc2)C(=O)[O-])s1 ZINC000548261209 651073913 /nfs/dbraw/zinc/07/39/13/651073913.db2.gz IZNUTMMSGHZMDA-NSHDSACASA-N -2 3 392.405 2.027 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1c(F)cccc1F ZINC000548268606 651075276 /nfs/dbraw/zinc/07/52/76/651075276.db2.gz SUOUOHFNQQKXEY-CYBMUJFWSA-N -2 3 385.373 2.074 20 0 GEADHL Cc1ncc(S(=O)(=O)[N-][C@H](CSCCc2ccccc2)C(=O)[O-])s1 ZINC000548566058 651080451 /nfs/dbraw/zinc/08/04/51/651080451.db2.gz WLLMKDPUHDAMLT-CYBMUJFWSA-N -2 3 386.520 2.159 20 0 GEADHL C[C@H]([C@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-])C1CC1 ZINC000548866421 651088103 /nfs/dbraw/zinc/08/81/03/651088103.db2.gz CPXPZSGPXCYNSE-MADCSZMMSA-N -2 3 380.235 2.366 20 0 GEADHL O=C([O-])[C@H](CC1CC1)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000553951861 651195161 /nfs/dbraw/zinc/19/51/61/651195161.db2.gz IORXUJCGMQSPOF-ZDUSSCGKSA-N -2 3 379.210 2.274 20 0 GEADHL O=C([O-])CCC(=O)c1cccc([N-]S(=O)(=O)CCOCC(F)(F)F)c1 ZINC000555123565 651218664 /nfs/dbraw/zinc/21/86/64/651218664.db2.gz MXCOYXRDISAVKF-UHFFFAOYSA-N -2 3 383.344 2.055 20 0 GEADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000555139979 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CC1(C)C[C@H](S(=O)(=O)[N-]c2ccc(Br)cc2C(=O)[O-])CO1 ZINC000629295302 652484645 /nfs/dbraw/zinc/48/46/45/652484645.db2.gz JAWFRGRCBSKDSH-VIFPVBQESA-N -2 3 378.244 2.457 20 0 GEADHL CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)cc1F)C(=O)[O-] ZINC000583530438 652488702 /nfs/dbraw/zinc/48/87/02/652488702.db2.gz ZWXJCVFCOCLAGT-ZWNOBZJWSA-N -2 3 375.418 2.170 20 0 GEADHL CCCNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1 ZINC000583622359 652491832 /nfs/dbraw/zinc/49/18/32/652491832.db2.gz GXKDHAQRSXRRLP-UHFFFAOYSA-N -2 3 388.442 2.020 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2F)cc(C(=O)[O-])c1Cl ZINC000759100397 652562583 /nfs/dbraw/zinc/56/25/83/652562583.db2.gz AYLRJNOXPJKOSB-UHFFFAOYSA-N -2 3 386.788 2.385 20 0 GEADHL C[C@@H](CSCC[N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000592447265 652595342 /nfs/dbraw/zinc/59/53/42/652595342.db2.gz BGYFPDQXMWXKTP-ZETCQYMHSA-N -2 3 388.330 2.243 20 0 GEADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-] ZINC000760118383 652595745 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CC[C@H](C[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl)C(=O)[O-] ZINC000776539893 653355670 /nfs/dbraw/zinc/35/56/70/653355670.db2.gz QUGBLCZMFCQQLI-SSDOTTSWSA-N -2 3 384.237 2.169 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](CC2CCCC2)C(=O)[O-])s1 ZINC000776551543 653356775 /nfs/dbraw/zinc/35/67/75/653356775.db2.gz HXGUWRNEGHLZLQ-NSHDSACASA-N -2 3 375.468 2.094 20 0 GEADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@H](C(=O)[O-])C1CCC1 ZINC000776614442 653364599 /nfs/dbraw/zinc/36/45/99/653364599.db2.gz KENLTNYUHZWSKW-NSHDSACASA-N -2 3 396.234 2.128 20 0 GEADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(C)(C)C)c1 ZINC000776641872 653367890 /nfs/dbraw/zinc/36/78/90/653367890.db2.gz ZMDBZXNTCYBLNS-NSHDSACASA-N -2 3 375.418 2.028 20 0 GEADHL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)C(=O)[O-] ZINC000837286950 653418713 /nfs/dbraw/zinc/41/87/13/653418713.db2.gz PHQAXFGUGJSBCB-QMMMGPOBSA-N -2 3 385.667 2.275 20 0 GEADHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000837288660 653419877 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ZINC000906005801 654400297 /nfs/dbraw/zinc/40/02/97/654400297.db2.gz VOIYRQUCYIIOPR-MRVPVSSYSA-N -2 3 377.793 2.453 20 0 GEADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCO[C@@](C)(C(=O)[O-])C2)s1 ZINC000906008821 654401017 /nfs/dbraw/zinc/40/10/17/654401017.db2.gz JEEWOVHXKWIJLY-PRHODGIISA-N -2 3 398.300 2.120 20 0 GEADHL C[C@]1(C(=O)[O-])C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCO1 ZINC000906010312 654401794 /nfs/dbraw/zinc/40/17/94/654401794.db2.gz NSHJGJXELSOTHG-NOZJJQNGSA-N -2 3 385.335 2.145 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@]23OCCC[C@H]2C3(F)F)c(Cl)cc1F ZINC000907040816 654502835 /nfs/dbraw/zinc/50/28/35/654502835.db2.gz TXZFKTLMRFKQGH-YPMHNXCESA-N -2 3 399.774 2.270 20 0 GEADHL CC[N-]S(=O)(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000153712294 531608410 /nfs/dbraw/zinc/60/84/10/531608410.db2.gz XTNBLJCVLMKNJS-UHFFFAOYSA-N -2 3 390.433 2.372 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)c(C)s1 ZINC000057504530 531820622 /nfs/dbraw/zinc/82/06/22/531820622.db2.gz JRHZLLZGNIKFPZ-INIZCTEOSA-N -2 3 379.463 2.220 20 0 GEADHL C[C@H](C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)c1ccccc1 ZINC000067718043 531889164 /nfs/dbraw/zinc/88/91/64/531889164.db2.gz NJFDMRTVLNMUNY-GFCCVEGCSA-N -2 3 386.470 2.279 20 0 GEADHL Cc1ccc(Br)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000068216172 531901679 /nfs/dbraw/zinc/90/16/79/531901679.db2.gz YHHPODGLGJEWNX-UHFFFAOYSA-N -2 3 395.234 2.442 20 0 GEADHL C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000115730025 531958678 /nfs/dbraw/zinc/95/86/78/531958678.db2.gz ZNLUGCAAYIHZJQ-UWVGGRQHSA-N -2 3 379.276 2.402 20 0 GEADHL COc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H](C)CCC(=O)[O-] ZINC000123898761 532110303 /nfs/dbraw/zinc/11/03/03/532110303.db2.gz KFUVMVUZFIBIPE-SECBINFHSA-N -2 3 380.260 2.237 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cc1F ZINC000135330334 532271096 /nfs/dbraw/zinc/27/10/96/532271096.db2.gz CACVWMROQDPCJP-UHFFFAOYSA-N -2 3 384.454 2.487 20 0 GEADHL CC[N-]S(=O)(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000137261727 532289154 /nfs/dbraw/zinc/28/91/54/532289154.db2.gz VHHAEYATYPQEHL-UHFFFAOYSA-N -2 3 394.396 2.203 20 0 GEADHL Cc1cnc(C[N-]S(=O)(=O)c2cc(Br)c(C)c(C(=O)[O-])c2)o1 ZINC000185037605 532336675 /nfs/dbraw/zinc/33/66/75/532336675.db2.gz SQBNGRQTBOAVKP-UHFFFAOYSA-N -2 3 389.227 2.231 20 0 GEADHL O=C([O-])c1csc(C[N-]S(=O)(=O)Cc2ccccc2Br)n1 ZINC000558472953 532391935 /nfs/dbraw/zinc/39/19/35/532391935.db2.gz GYBQERLVMPAMAS-UHFFFAOYSA-N -2 3 391.268 2.223 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccn(C(C)C)n2)cc1F ZINC000280917003 532416070 /nfs/dbraw/zinc/41/60/70/532416070.db2.gz GXFWGSOBWNEQPP-UHFFFAOYSA-N -2 3 390.462 2.166 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CC(F)(F)CC)c(F)c1 ZINC000625454230 532428911 /nfs/dbraw/zinc/42/89/11/532428911.db2.gz RXJAVASHRAPUEX-UHFFFAOYSA-N -2 3 388.433 2.301 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)Cc1c(F)cccc1F)c1cc(F)ccc1F ZINC000681567046 532431085 /nfs/dbraw/zinc/43/10/85/532431085.db2.gz JWIHCSUUKFPKTF-AWEZNQCLSA-N -2 3 377.315 2.488 20 0 GEADHL CC(C)c1nc(S(=O)(=O)[N-]C[C@H](Cc2ccccc2Cl)C(=O)[O-])c[nH]1 ZINC000681571253 532431902 /nfs/dbraw/zinc/43/19/02/532431902.db2.gz SIJYFMIUZHGRED-LBPRGKRZSA-N -2 3 385.873 2.408 20 0 GEADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(Cl)cc2Br)CCOCC1 ZINC000650419040 532444889 /nfs/dbraw/zinc/44/48/89/532444889.db2.gz DLSCILSXLCVSMS-UHFFFAOYSA-N -2 3 398.662 2.015 20 0 GEADHL CCOC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)C(=O)[O-] ZINC000650420145 532444905 /nfs/dbraw/zinc/44/49/05/532444905.db2.gz RVOXIZKBFUMQIX-QMMMGPOBSA-N -2 3 391.751 2.007 20 0 GEADHL O=C([O-])[C@@H]1C=C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000282882929 532504790 /nfs/dbraw/zinc/50/47/90/532504790.db2.gz CUUJPRJWEVIDPZ-SFYZADRCSA-N -2 3 380.647 2.410 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)[C@@H]1CCCO1 ZINC000630420993 532518911 /nfs/dbraw/zinc/51/89/11/532518911.db2.gz BAZYMGNYDBFILZ-ONGXEEELSA-N -2 3 387.763 2.269 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)[C@H]1CCCO1 ZINC000630423178 532519231 /nfs/dbraw/zinc/51/92/31/532519231.db2.gz PUFWTCFVNSWRRS-MNOVXSKESA-N -2 3 398.662 2.013 20 0 GEADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2cnn(Cc3ccccc3)c2)c1 ZINC000237964416 532515316 /nfs/dbraw/zinc/51/53/16/532515316.db2.gz MZHBCCKGPPMHKB-UHFFFAOYSA-N -2 3 377.447 2.170 20 0 GEADHL CC[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000564923201 532538109 /nfs/dbraw/zinc/53/81/09/532538109.db2.gz DMALWCYNYTUJDW-JTQLQIEISA-N -2 3 384.435 2.042 20 0 GEADHL CCC[C@H](CC)S(=O)(=O)[N-]c1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000565055020 532545680 /nfs/dbraw/zinc/54/56/80/532545680.db2.gz SPRNIBTZKFJKMF-ZDUSSCGKSA-N -2 3 376.500 2.253 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccsc2)cc1F ZINC000565931411 532584729 /nfs/dbraw/zinc/58/47/29/532584729.db2.gz ZJAOAQPLZBSFMJ-ZDUSSCGKSA-N -2 3 387.410 2.168 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccsc2)cc1F ZINC000565931410 532584912 /nfs/dbraw/zinc/58/49/12/532584912.db2.gz ZJAOAQPLZBSFMJ-CYBMUJFWSA-N -2 3 387.410 2.168 20 0 GEADHL CC(C)C[C@H]([N-]S(=O)(=O)c1cc(Br)cc2c1OCC2)C(=O)[O-] ZINC000262373209 532591229 /nfs/dbraw/zinc/59/12/29/532591229.db2.gz FUICQPMZPDHGCY-NSHDSACASA-N -2 3 392.271 2.162 20 0 GEADHL CCOC1CC(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2OC)C1 ZINC000566173529 532597981 /nfs/dbraw/zinc/59/79/81/532597981.db2.gz KFKVKQLDJOEIND-UHFFFAOYSA-N -2 3 375.418 2.016 20 0 GEADHL CO[C@@H](C[C@@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1Cl)C(=O)[O-])C1CC1 ZINC000656167156 532606439 /nfs/dbraw/zinc/60/64/39/532606439.db2.gz KUJJDBKGQUTXIX-OLZOCXBDSA-N -2 3 379.837 2.334 20 0 GEADHL CO[C@H](C[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)[O-])C1CC1 ZINC000656169403 532606576 /nfs/dbraw/zinc/60/65/76/532606576.db2.gz OKCGGCXGLBWKKN-NWDGAFQWSA-N -2 3 381.372 2.252 20 0 GEADHL O=C([O-])C[C@@H](CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1)C(F)(F)F ZINC000284929477 532633295 /nfs/dbraw/zinc/63/32/95/532633295.db2.gz CIIYSEOOJHKAJV-SSDOTTSWSA-N -2 3 394.293 2.422 20 0 GEADHL COc1c(C)cc(S(=O)(=O)[N-]c2ccccc2[N-]S(C)(=O)=O)cc1C ZINC000298393264 532646400 /nfs/dbraw/zinc/64/64/00/532646400.db2.gz GOHWMHGZDMKQBI-UHFFFAOYSA-N -2 3 384.479 2.484 20 0 GEADHL CCSCC[C@@H](C)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000437724645 532663165 /nfs/dbraw/zinc/66/31/65/532663165.db2.gz WSZKRABNGJTFHJ-SNVBAGLBSA-N -2 3 384.520 2.007 20 0 GEADHL CCc1cnc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)s1 ZINC000437329740 532656069 /nfs/dbraw/zinc/65/60/69/532656069.db2.gz QFHPOLDIVJUYOW-UHFFFAOYSA-N -2 3 379.460 2.017 20 0 GEADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000298850201 532679918 /nfs/dbraw/zinc/67/99/18/532679918.db2.gz KVXLKRLEKZAEAP-UHFFFAOYSA-N -2 3 388.161 2.363 20 0 GEADHL Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F ZINC000484566617 532681799 /nfs/dbraw/zinc/68/17/99/532681799.db2.gz HEONZQWBYGSJTP-UHFFFAOYSA-N -2 3 387.410 2.037 20 0 GEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCO[C@@H](C)C1 ZINC000386811585 532704365 /nfs/dbraw/zinc/70/43/65/532704365.db2.gz PYMGMPWKPIMDJJ-UWVGGRQHSA-N -2 3 377.846 2.140 20 0 GEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]CC(C)(C)C[C@H](C)O ZINC000393552081 532709605 /nfs/dbraw/zinc/70/96/05/532709605.db2.gz HDOJODJHBYSYDU-VIFPVBQESA-N -2 3 379.862 2.122 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)(F)F)c(Cl)c1 ZINC000575215391 532717809 /nfs/dbraw/zinc/71/78/09/532717809.db2.gz MDBNDIPKPDOYCC-SSDOTTSWSA-N -2 3 375.752 2.280 20 0 GEADHL CC(C)(C)c1nc(=NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)s[n-]1 ZINC000440644432 532719589 /nfs/dbraw/zinc/71/95/89/532719589.db2.gz DELVYYZDKRSJNI-UHFFFAOYSA-N -2 3 392.909 2.440 20 0 GEADHL CCc1cccc(S(=O)(=O)[N-]c2ccc(OC)c([N-]S(C)(=O)=O)c2)c1 ZINC000267507672 532743794 /nfs/dbraw/zinc/74/37/94/532743794.db2.gz OSZUQEATRDUIKO-UHFFFAOYSA-N -2 3 384.479 2.430 20 0 GEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000580441174 532747141 /nfs/dbraw/zinc/74/71/41/532747141.db2.gz IANGPOREUFJBKR-RYUDHWBXSA-N -2 3 386.426 2.179 20 0 GEADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000581916804 532759474 /nfs/dbraw/zinc/75/94/74/532759474.db2.gz UOCXPWPIXVCESD-UHFFFAOYSA-N -2 3 390.433 2.291 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C2(C(C)C)CC2)c(F)c1 ZINC000451607209 532766340 /nfs/dbraw/zinc/76/63/40/532766340.db2.gz PFVIVZFLNKMIJG-UHFFFAOYSA-N -2 3 378.491 2.444 20 0 GEADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](CC1CC1)C(=O)[O-] ZINC000318819623 532785301 /nfs/dbraw/zinc/78/53/01/532785301.db2.gz CPQANQNLFOLMIZ-NSHDSACASA-N -2 3 392.271 2.379 20 0 GEADHL O=C([O-])c1csc(C[N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)n1 ZINC000548206971 532788839 /nfs/dbraw/zinc/78/88/39/532788839.db2.gz DPMPUSIGSCSQAE-UHFFFAOYSA-N -2 3 380.369 2.480 20 0 GEADHL O=C([O-])c1csc(C[N-]S(=O)(=O)c2ccccc2OC(F)(F)F)n1 ZINC000325581445 532789267 /nfs/dbraw/zinc/78/92/67/532789267.db2.gz PGXMQLQLEDYILT-UHFFFAOYSA-N -2 3 382.341 2.218 20 0 GEADHL CC(C)(C)OC(=O)C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000325413261 532789323 /nfs/dbraw/zinc/78/93/23/532789323.db2.gz FLRHZQWTDMCVOU-JTQLQIEISA-N -2 3 398.264 2.457 20 0 GEADHL O=C([O-])[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000548220217 532789887 /nfs/dbraw/zinc/78/98/87/532789887.db2.gz YKSAKVQRDXKTQW-MRVPVSSYSA-N -2 3 380.241 2.078 20 0 GEADHL O=C([O-])[C@@H](O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000549551639 532794541 /nfs/dbraw/zinc/79/45/41/532794541.db2.gz PKMQXAWHMWTACC-MFKMUULPSA-N -2 3 381.903 2.464 20 0 GEADHL CS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000271295659 532806945 /nfs/dbraw/zinc/80/69/45/532806945.db2.gz GWPOKIMDZBCSRS-UHFFFAOYSA-N -2 3 382.463 2.184 20 0 GEADHL COC(=O)C(C)(C)CS(=O)(=O)[N-]c1ccc(S[C@@H](C)C(=O)[O-])cc1 ZINC000287652518 532804681 /nfs/dbraw/zinc/80/46/81/532804681.db2.gz UYBVIBZXOGIVPO-JTQLQIEISA-N -2 3 375.468 2.193 20 0 GEADHL CCOC(=O)CCS(=O)(=O)[N-]c1ccc(C)cc1SCCC(=O)[O-] ZINC000274910070 532859711 /nfs/dbraw/zinc/85/97/11/532859711.db2.gz KKBAHLXMKZNHDG-UHFFFAOYSA-N -2 3 375.468 2.257 20 0 GEADHL CSCC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)[O-] ZINC000274946877 532860337 /nfs/dbraw/zinc/86/03/37/532860337.db2.gz RXUYFGWJCFRZKZ-VIFPVBQESA-N -2 3 386.264 2.073 20 0 GEADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](Cc1cccc(Cl)c1)C(=O)[O-] ZINC000275078261 532863826 /nfs/dbraw/zinc/86/38/26/532863826.db2.gz YBCUELUWEURCEB-NSHDSACASA-N -2 3 392.264 2.010 20 0 GEADHL Cc1nc(CC[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)sc1C(=O)[O-] ZINC000275170142 532867429 /nfs/dbraw/zinc/86/74/29/532867429.db2.gz BXBCKSNCAMDDOG-UHFFFAOYSA-N -2 3 396.277 2.373 20 0 GEADHL O=C([O-])[C@H](CC(F)F)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000275196690 532868336 /nfs/dbraw/zinc/86/83/36/532868336.db2.gz GDHYWOAMPNWZTP-ZETCQYMHSA-N -2 3 392.605 2.489 20 0 GEADHL Cc1ccc(Br)c(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-])c1 ZINC000275317031 532872605 /nfs/dbraw/zinc/87/26/05/532872605.db2.gz RXAAYKGWZZTFOL-QMMMGPOBSA-N -2 3 390.177 2.441 20 0 GEADHL CCO[C@@H]1C[C@@]([N-]S(=O)(=O)c2cc(C)c(F)cc2F)(C(=O)[O-])C1(C)C ZINC000275588352 532879391 /nfs/dbraw/zinc/87/93/91/532879391.db2.gz IAQGTXJKBBZCJN-CZUORRHYSA-N -2 3 377.409 2.210 20 0 GEADHL CC[C@@H](CS(=O)(=O)[N-]c1cc(OC(F)F)c(OC)cc1C(=O)[O-])OC ZINC000421137971 532887987 /nfs/dbraw/zinc/88/79/87/532887987.db2.gz AAEJXJJVZNYFHU-QMMMGPOBSA-N -2 3 383.369 2.162 20 0 GEADHL COC(=O)[C@@H](CNC(=O)c1s[n-]c(=O)c1Cl)Cc1ccc([O-])c(F)c1 ZINC000422032956 532891078 /nfs/dbraw/zinc/89/10/78/532891078.db2.gz ASCBXNJPJPUJND-MRVPVSSYSA-N -2 3 388.804 2.109 20 0 GEADHL Cc1nn(C)c(C)c1[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-] ZINC000290933212 532893364 /nfs/dbraw/zinc/89/33/64/532893364.db2.gz JLXOBWBNTKPLSJ-LLVKDONJSA-N -2 3 397.400 2.221 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]CCc2nc(CC(=O)[O-])cs2)sc1Cl ZINC000276397881 532895489 /nfs/dbraw/zinc/89/54/89/532895489.db2.gz GTFFHMHNGNQYCH-UHFFFAOYSA-N -2 3 380.900 2.315 20 0 GEADHL Cc1cccc(N2CCC([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)CC2)n1 ZINC000363945356 532902146 /nfs/dbraw/zinc/90/21/46/532902146.db2.gz JYMVQYCSNQQELO-UHFFFAOYSA-N -2 3 381.479 2.097 20 0 GEADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)s1 ZINC000292391162 532915964 /nfs/dbraw/zinc/91/59/64/532915964.db2.gz VVEUBABIVDUBTB-INIZCTEOSA-N -2 3 379.463 2.220 20 0 GEADHL CSCCO[N-]C(=O)C12CCC(C(=O)[N-]OCCSC)(CC1)CC2 ZINC000366550082 532918765 /nfs/dbraw/zinc/91/87/65/532918765.db2.gz BPXQWTLERPMLFS-UHFFFAOYSA-N -2 3 376.544 2.149 20 0 GEADHL O=C(c1cc(F)cc(Cl)c1[O-])N1CC(S(=O)(=O)[N-]c2ccccc2)C1 ZINC000371629828 532949037 /nfs/dbraw/zinc/94/90/37/532949037.db2.gz RMOZIHZUKDHYEW-UHFFFAOYSA-N -2 3 384.816 2.451 20 0 GEADHL CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000735487877 598840901 /nfs/dbraw/zinc/84/09/01/598840901.db2.gz ABWAMEKATHWDRF-UHFFFAOYSA-N -2 3 390.400 2.073 20 0 GEADHL CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000735487877 598840902 /nfs/dbraw/zinc/84/09/02/598840902.db2.gz ABWAMEKATHWDRF-UHFFFAOYSA-N -2 3 390.400 2.073 20 0 GEADHL O=S(=O)([N-]c1cnc(-c2ccccc2)nc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738339628 598842166 /nfs/dbraw/zinc/84/21/66/598842166.db2.gz ORLDDUBXASVCOA-UHFFFAOYSA-N -2 3 397.395 2.264 20 0 GEADHL O=S(=O)([N-]c1cnc(-c2ccccc2)nc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738339628 598842168 /nfs/dbraw/zinc/84/21/68/598842168.db2.gz ORLDDUBXASVCOA-UHFFFAOYSA-N -2 3 397.395 2.264 20 0 GEADHL O=S(=O)([N-]c1ccc2c(c1)CCCO2)c1ccc(-c2nnn[n-]2)cc1F ZINC000738341657 598843728 /nfs/dbraw/zinc/84/37/28/598843728.db2.gz IPZPSSDGPOXZRQ-UHFFFAOYSA-N -2 3 375.385 2.132 20 0 GEADHL O=S(=O)([N-]c1ccc2c(c1)CCCO2)c1ccc(-c2nn[n-]n2)cc1F ZINC000738341657 598843731 /nfs/dbraw/zinc/84/37/31/598843731.db2.gz IPZPSSDGPOXZRQ-UHFFFAOYSA-N -2 3 375.385 2.132 20 0 GEADHL O=S(=O)([N-]c1cnn(Cc2ccccc2)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738339915 598844058 /nfs/dbraw/zinc/84/40/58/598844058.db2.gz QWEMIHLYGVXKCW-UHFFFAOYSA-N -2 3 399.411 2.051 20 0 GEADHL O=S(=O)([N-]c1cnn(Cc2ccccc2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738339915 598844059 /nfs/dbraw/zinc/84/40/59/598844059.db2.gz QWEMIHLYGVXKCW-UHFFFAOYSA-N -2 3 399.411 2.051 20 0 GEADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cnc(-c2ccccc2)nc1 ZINC000737225375 598947675 /nfs/dbraw/zinc/94/76/75/598947675.db2.gz CPFGFZDBOGFDPE-UHFFFAOYSA-N -2 3 393.432 2.433 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cnc(-c2ccccc2)nc1 ZINC000737225375 598947678 /nfs/dbraw/zinc/94/76/78/598947678.db2.gz CPFGFZDBOGFDPE-UHFFFAOYSA-N -2 3 393.432 2.433 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cccc1-c1nn[n-]n1 ZINC000822123289 607254953 /nfs/dbraw/zinc/25/49/53/607254953.db2.gz YOMDVPPVJWBDCI-UHFFFAOYSA-N -3 3 393.812 2.328 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2cnn(Cc3ccccc3)c2)cccc1-c1nn[n-]n1 ZINC000822129571 607255350 /nfs/dbraw/zinc/25/53/50/607255350.db2.gz LXFLLWJJAGACMM-UHFFFAOYSA-N -2 3 395.448 2.221 20 0 GEADHL CCc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000736690789 598974421 /nfs/dbraw/zinc/97/44/21/598974421.db2.gz VWTNHHSDDRNVQJ-CYBMUJFWSA-N -2 3 399.476 2.346 20 0 GEADHL CCc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000736690789 598974423 /nfs/dbraw/zinc/97/44/23/598974423.db2.gz VWTNHHSDDRNVQJ-CYBMUJFWSA-N -2 3 399.476 2.346 20 0 GEADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000737063299 599156987 /nfs/dbraw/zinc/15/69/87/599156987.db2.gz VFFFQFXYGAZOED-UHFFFAOYSA-N -2 3 382.405 2.224 20 0 GEADHL CCCC=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736438292 599218446 /nfs/dbraw/zinc/21/84/46/599218446.db2.gz IEUADPJWAUPXIW-PLNGDYQASA-N -2 3 389.359 2.047 20 0 GEADHL CCCC=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736438292 599218448 /nfs/dbraw/zinc/21/84/48/599218448.db2.gz IEUADPJWAUPXIW-PLNGDYQASA-N -2 3 389.359 2.047 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1nc2cc(F)ccc2n1C ZINC000822223767 599233933 /nfs/dbraw/zinc/23/39/33/599233933.db2.gz JNPGFUGSXMRRIX-UHFFFAOYSA-N -2 3 387.400 2.002 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1nc2cc(F)ccc2n1C ZINC000822223767 599233936 /nfs/dbraw/zinc/23/39/36/599233936.db2.gz JNPGFUGSXMRRIX-UHFFFAOYSA-N -2 3 387.400 2.002 20 0 GEADHL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCC(=O)[O-])ccc2C)cc1 ZINC000485531891 597021306 /nfs/dbraw/zinc/02/13/06/597021306.db2.gz OQXVRQOKRBCTLV-UHFFFAOYSA-N -2 3 392.433 2.009 20 0 GEADHL O=C([O-])Cc1cccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000738624027 597190658 /nfs/dbraw/zinc/19/06/58/597190658.db2.gz LSKMGPBDSGBORV-UHFFFAOYSA-N -2 3 383.404 2.009 20 0 GEADHL CC[C@H](C)[C@H](NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1)C(=O)[O-] ZINC000519018419 597394439 /nfs/dbraw/zinc/39/44/39/597394439.db2.gz FMPOSIUFJLOQLB-HZMBPMFUSA-N -2 3 387.458 2.078 20 0 GEADHL CC(=O)NCCN(C(=O)c1cc(Oc2ccccc2)ccc1[O-])[C@@H](C)C(=O)[O-] ZINC000819753113 597692287 /nfs/dbraw/zinc/69/22/87/597692287.db2.gz OVPZPCARCKHWTB-ZDUSSCGKSA-N -2 3 386.404 2.236 20 0 GEADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000736634071 598307146 /nfs/dbraw/zinc/30/71/46/598307146.db2.gz FLHZNHNDAMYZGU-UHFFFAOYSA-N -2 3 399.354 2.484 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1sccc1C1CC1 ZINC000738137779 598332078 /nfs/dbraw/zinc/33/20/78/598332078.db2.gz ADDJCVATAKNMJB-UHFFFAOYSA-N -2 3 389.462 2.065 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1sccc1C1CC1 ZINC000738137779 598332080 /nfs/dbraw/zinc/33/20/80/598332080.db2.gz ADDJCVATAKNMJB-UHFFFAOYSA-N -2 3 389.462 2.065 20 0 GEADHL Cc1oc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1C ZINC000737548896 598415285 /nfs/dbraw/zinc/41/52/85/598415285.db2.gz QDLIMCWYSLWZOH-UHFFFAOYSA-N -2 3 395.828 2.157 20 0 GEADHL Cc1oc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1C ZINC000737548896 598415287 /nfs/dbraw/zinc/41/52/87/598415287.db2.gz QDLIMCWYSLWZOH-UHFFFAOYSA-N -2 3 395.828 2.157 20 0 GEADHL C[C@@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000735963835 598451361 /nfs/dbraw/zinc/45/13/61/598451361.db2.gz ORVBWIORNSKLHN-VIFPVBQESA-N -2 3 393.860 2.488 20 0 GEADHL C[C@@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000735963835 598451362 /nfs/dbraw/zinc/45/13/62/598451362.db2.gz ORVBWIORNSKLHN-VIFPVBQESA-N -2 3 393.860 2.488 20 0 GEADHL O=S(=O)([N-]c1cccc(SC(F)F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738342923 598452575 /nfs/dbraw/zinc/45/25/75/598452575.db2.gz SUWQGAWHXOPEHY-UHFFFAOYSA-N -2 3 384.393 2.377 20 0 GEADHL O=S(=O)([N-]c1cccc(SC(F)F)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738342923 598452577 /nfs/dbraw/zinc/45/25/77/598452577.db2.gz SUWQGAWHXOPEHY-UHFFFAOYSA-N -2 3 384.393 2.377 20 0 GEADHL CCCCN(C)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736452645 598606469 /nfs/dbraw/zinc/60/64/69/598606469.db2.gz GXZIAAQWQPOUOE-UHFFFAOYSA-N -2 3 387.469 2.299 20 0 GEADHL CCCCN(C)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736452645 598606470 /nfs/dbraw/zinc/60/64/70/598606470.db2.gz GXZIAAQWQPOUOE-UHFFFAOYSA-N -2 3 387.469 2.299 20 0 GEADHL O=S(=O)([N-]c1ccccc1N1CCCCCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738342881 598607804 /nfs/dbraw/zinc/60/78/04/598607804.db2.gz SAKWMUJPHLAXBL-UHFFFAOYSA-N -2 3 399.480 2.443 20 0 GEADHL O=S(=O)([N-]c1ccccc1N1CCCCCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738342881 598607805 /nfs/dbraw/zinc/60/78/05/598607805.db2.gz SAKWMUJPHLAXBL-UHFFFAOYSA-N -2 3 399.480 2.443 20 0 GEADHL Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737201401 598673836 /nfs/dbraw/zinc/67/38/36/598673836.db2.gz DSPNROMERODGIB-UHFFFAOYSA-N -2 3 397.420 2.491 20 0 GEADHL CC[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736334044 598784816 /nfs/dbraw/zinc/78/48/16/598784816.db2.gz RZMPTJNWPNBSCW-ZDUSSCGKSA-N -2 3 385.449 2.256 20 0 GEADHL CC[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736334044 598784817 /nfs/dbraw/zinc/78/48/17/598784817.db2.gz RZMPTJNWPNBSCW-ZDUSSCGKSA-N -2 3 385.449 2.256 20 0 GEADHL Cc1ccc(-n2[n-]c(C(=O)N[C@H](C)c3ccc(-c4nnn[n-]4)cc3)cc2=O)cc1 ZINC000737304036 599319746 /nfs/dbraw/zinc/31/97/46/599319746.db2.gz ROMFRQQEMWAWOF-CYBMUJFWSA-N -2 3 389.419 2.145 20 0 GEADHL Cc1ccc(-n2[n-]c(C(=O)N[C@H](C)c3ccc(-c4nn[n-]n4)cc3)cc2=O)cc1 ZINC000737304036 599319749 /nfs/dbraw/zinc/31/97/49/599319749.db2.gz ROMFRQQEMWAWOF-CYBMUJFWSA-N -2 3 389.419 2.145 20 0 GEADHL Cc1cc(Cl)c(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c(C(=O)[O-])c1 ZINC000737265647 599456625 /nfs/dbraw/zinc/45/66/25/599456625.db2.gz XYZBDJNRTNQSGB-UHFFFAOYSA-N -2 3 393.812 2.328 20 0 GEADHL Cc1cc(Cl)c(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c(C(=O)[O-])c1 ZINC000737265647 599456627 /nfs/dbraw/zinc/45/66/27/599456627.db2.gz XYZBDJNRTNQSGB-UHFFFAOYSA-N -2 3 393.812 2.328 20 0 GEADHL O=S(=O)([N-]c1ccc(Oc2ccccc2-c2nnn[n-]2)cc1)c1c[nH]cn1 ZINC000738341670 599471292 /nfs/dbraw/zinc/47/12/92/599471292.db2.gz JCYYMZVUUQKQKN-UHFFFAOYSA-N -2 3 383.393 2.183 20 0 GEADHL O=S(=O)([N-]c1ccc(Oc2ccccc2-c2nn[n-]n2)cc1)c1c[nH]cn1 ZINC000738341670 599471294 /nfs/dbraw/zinc/47/12/94/599471294.db2.gz JCYYMZVUUQKQKN-UHFFFAOYSA-N -2 3 383.393 2.183 20 0 GEADHL CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821048956 599619905 /nfs/dbraw/zinc/61/99/05/599619905.db2.gz HFKADMWLKYIDAP-CYBMUJFWSA-N -2 3 379.486 2.419 20 0 GEADHL CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821048956 599619906 /nfs/dbraw/zinc/61/99/06/599619906.db2.gz HFKADMWLKYIDAP-CYBMUJFWSA-N -2 3 379.486 2.419 20 0 GEADHL CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000821051162 599620016 /nfs/dbraw/zinc/62/00/16/599620016.db2.gz YTARGGWAXHBCJP-ZDUSSCGKSA-N -2 3 379.486 2.419 20 0 GEADHL CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000821051162 599620017 /nfs/dbraw/zinc/62/00/17/599620017.db2.gz YTARGGWAXHBCJP-ZDUSSCGKSA-N -2 3 379.486 2.419 20 0 GEADHL CC(C)[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820016429 599621259 /nfs/dbraw/zinc/62/12/59/599621259.db2.gz MBIWORHXPQFJCJ-QGZVFWFLSA-N -2 3 399.476 2.253 20 0 GEADHL CC(C)[C@@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820016429 599621260 /nfs/dbraw/zinc/62/12/60/599621260.db2.gz MBIWORHXPQFJCJ-QGZVFWFLSA-N -2 3 399.476 2.253 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H](c1ccccc1)C(C)C ZINC000822222558 599624694 /nfs/dbraw/zinc/62/46/94/599624694.db2.gz LYTVRLAQEDEAGT-QGZVFWFLSA-N -2 3 399.476 2.420 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H](c1ccccc1)C(C)C ZINC000822222558 599624695 /nfs/dbraw/zinc/62/46/95/599624695.db2.gz LYTVRLAQEDEAGT-QGZVFWFLSA-N -2 3 399.476 2.420 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1cccc(F)c1Cl ZINC000822223770 599624723 /nfs/dbraw/zinc/62/47/23/599624723.db2.gz JQKRKFPZULVCSE-UHFFFAOYSA-N -2 3 395.803 2.086 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1cccc(F)c1Cl ZINC000822223770 599624724 /nfs/dbraw/zinc/62/47/24/599624724.db2.gz JQKRKFPZULVCSE-UHFFFAOYSA-N -2 3 395.803 2.086 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000822222607 599624776 /nfs/dbraw/zinc/62/47/76/599624776.db2.gz NLQBPLIULLJBDG-LSDHHAIUSA-N -2 3 389.481 2.196 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000822222607 599624777 /nfs/dbraw/zinc/62/47/77/599624777.db2.gz NLQBPLIULLJBDG-LSDHHAIUSA-N -2 3 389.481 2.196 20 0 GEADHL COc1ccccc1[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)N1CCCC1 ZINC000738119520 599767051 /nfs/dbraw/zinc/76/70/51/599767051.db2.gz IPMSMGDTTYGRGP-AWEZNQCLSA-N -2 3 394.449 2.102 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(N3CCCCCC3)nc2)o1 ZINC000740176403 599772470 /nfs/dbraw/zinc/77/24/70/599772470.db2.gz AFOBPEMNVPCRDS-UHFFFAOYSA-N -2 3 379.438 2.232 20 0 GEADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000826249701 607397946 /nfs/dbraw/zinc/39/79/46/607397946.db2.gz PGVUWLSGUCMIAH-UHFFFAOYSA-N -2 3 393.428 2.447 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000826249701 607397948 /nfs/dbraw/zinc/39/79/48/607397948.db2.gz PGVUWLSGUCMIAH-UHFFFAOYSA-N -2 3 393.428 2.447 20 0 GEADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000826249490 607399670 /nfs/dbraw/zinc/39/96/70/607399670.db2.gz FVZLJFKBTLTOOL-UHFFFAOYSA-N -2 3 395.803 2.086 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000826249490 607399672 /nfs/dbraw/zinc/39/96/72/607399672.db2.gz FVZLJFKBTLTOOL-UHFFFAOYSA-N -2 3 395.803 2.086 20 0 GEADHL COc1ccc([C@H]([N-]C(=O)C(F)(F)Oc2ccc(C=O)cc2)C(=O)[O-])cc1 ZINC000737956695 600069230 /nfs/dbraw/zinc/06/92/30/600069230.db2.gz BTVPUDJGONNZIN-HNNXBMFYSA-N -2 3 379.315 2.421 20 0 GEADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1N1CCN(C)CC1 ZINC000738347415 600103769 /nfs/dbraw/zinc/10/37/69/600103769.db2.gz KYJUZFDRXOBFAT-UHFFFAOYSA-N -2 3 389.477 2.246 20 0 GEADHL Cc1nc(C2([N-]S(=O)(=O)Cc3cccc(C(=O)[O-])c3)CCCCC2)no1 ZINC000517560543 600222842 /nfs/dbraw/zinc/22/28/42/600222842.db2.gz MJQQFSSYIXRNQH-UHFFFAOYSA-N -2 3 379.438 2.355 20 0 GEADHL CC(C)(C)OC(=O)C1([N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)CCCC1 ZINC000520402519 600235773 /nfs/dbraw/zinc/23/57/73/600235773.db2.gz WXAVCLNVEGXABB-UHFFFAOYSA-N -2 3 383.466 2.459 20 0 GEADHL CC(C)(O)COc1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000736343314 600245747 /nfs/dbraw/zinc/24/57/47/600245747.db2.gz ACIUACCPXDJSBV-UHFFFAOYSA-N -2 3 381.406 2.041 20 0 GEADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(CS(C)(=O)=O)c1C ZINC000466291275 600254404 /nfs/dbraw/zinc/25/44/04/600254404.db2.gz USPGWLTXHJUYGW-UHFFFAOYSA-N -2 3 397.474 2.347 20 0 GEADHL Cc1c(CS(C)(=O)=O)cccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000604856633 600254495 /nfs/dbraw/zinc/25/44/95/600254495.db2.gz ZDUQOLBXSQDRGT-UHFFFAOYSA-N -2 3 383.447 2.039 20 0 GEADHL O=C([O-])c1ccc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)c(OC(F)F)c1 ZINC000739441408 600510420 /nfs/dbraw/zinc/51/04/20/600510420.db2.gz BODZMKNDMDUOCT-UHFFFAOYSA-N -2 3 398.293 2.086 20 0 GEADHL CCNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)c1 ZINC000042796181 600542548 /nfs/dbraw/zinc/54/25/48/600542548.db2.gz AXDUNCCOKCJICB-UHFFFAOYSA-N -2 3 392.433 2.252 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc3oc(=O)ccc3c2)cc1C(=O)[O-] ZINC000057119926 600543712 /nfs/dbraw/zinc/54/37/12/600543712.db2.gz RPCXTAQZUPEUDX-UHFFFAOYSA-N -2 3 375.358 2.301 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3C)cc1C(=O)[O-] ZINC000519215511 600545269 /nfs/dbraw/zinc/54/52/69/600545269.db2.gz KMRWVWKHHTXTFE-UHFFFAOYSA-N -2 3 390.417 2.103 20 0 GEADHL O=C([O-])c1ccc(CC[N-]S(=O)(=O)c2ccc(Br)cn2)cc1 ZINC000575709076 600577985 /nfs/dbraw/zinc/57/79/85/600577985.db2.gz UMTBUQCHNUBBFR-UHFFFAOYSA-N -2 3 385.239 2.063 20 0 GEADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cc(N3CCCC3=O)ccc2F)cc1 ZINC000739886425 600628085 /nfs/dbraw/zinc/62/80/85/600628085.db2.gz NVDWBQDTUGCRGF-UHFFFAOYSA-N -2 3 392.408 2.380 20 0 GEADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])cc2)ccc1C ZINC000736161948 600635602 /nfs/dbraw/zinc/63/56/02/600635602.db2.gz YFDKWHDJEZRBBM-UHFFFAOYSA-N -2 3 378.406 2.218 20 0 GEADHL COC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccc(C(=O)[O-])cc2)cc1[O-] ZINC000831210153 600731223 /nfs/dbraw/zinc/73/12/23/600731223.db2.gz NUHMSJLLJQPUMP-UHFFFAOYSA-N -2 3 388.332 2.064 20 0 GEADHL CO[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F)C(C)C ZINC000831520588 600791424 /nfs/dbraw/zinc/79/14/24/600791424.db2.gz YHRUAQUJXPMGKL-LLVKDONJSA-N -2 3 398.250 2.236 20 0 GEADHL COCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000737732039 600888277 /nfs/dbraw/zinc/88/82/77/600888277.db2.gz GNCNDEJALUCLLD-UHFFFAOYSA-N -2 3 378.406 2.079 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2ccccc2N2CCN(C)CC2)ccc1C(=O)[O-] ZINC000832904428 600981325 /nfs/dbraw/zinc/98/13/25/600981325.db2.gz MYUAKYPUMWJOHC-UHFFFAOYSA-N -2 3 389.477 2.246 20 0 GEADHL O=C([O-])c1ccsc1N1CC[C@H](OC(=O)c2cc(-c3ccco3)[n-]n2)C1=O ZINC000833350927 601098515 /nfs/dbraw/zinc/09/85/15/601098515.db2.gz HDPJQDHAUPIFLT-ZDUSSCGKSA-N -2 3 387.373 2.392 20 0 GEADHL O=C([O-])c1ccsc1N1CC[C@H](OC(=O)c2cc(-c3ccco3)n[n-]2)C1=O ZINC000833350927 601098518 /nfs/dbraw/zinc/09/85/18/601098518.db2.gz HDPJQDHAUPIFLT-ZDUSSCGKSA-N -2 3 387.373 2.392 20 0 GEADHL COc1ccc(C[C@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1OC ZINC000582001106 601220377 /nfs/dbraw/zinc/22/03/77/601220377.db2.gz WVRQSPZNSFMRQV-JTQLQIEISA-N -2 3 383.422 2.213 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCc3nc(C(C)(C)C)cn3C2)cc1C(=O)[O-] ZINC000833029190 601222095 /nfs/dbraw/zinc/22/20/95/601222095.db2.gz ZDHRSCLKQGGIRY-LLVKDONJSA-N -2 3 381.454 2.074 20 0 GEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000274932494 601224713 /nfs/dbraw/zinc/22/47/13/601224713.db2.gz CPUUUUFSZKBEAR-IINYFYTJSA-N -2 3 383.447 2.275 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCc2c(F)cccc2F)c1F ZINC000833293952 601231788 /nfs/dbraw/zinc/23/17/88/601231788.db2.gz JNBLCIOLLXKRJP-UHFFFAOYSA-N -2 3 377.315 2.462 20 0 GEADHL COC(=O)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C)c1ccccc1 ZINC000831078321 601232375 /nfs/dbraw/zinc/23/23/75/601232375.db2.gz KPIOOTBJHMRHEN-MRXNPFEDSA-N -2 3 377.418 2.194 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCOc2ccc(F)c(F)c2)c1F ZINC000833294712 601235173 /nfs/dbraw/zinc/23/51/73/601235173.db2.gz VQOLAZUMRSDICH-UHFFFAOYSA-N -2 3 393.314 2.299 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2ccc3c(c2)OCCCO3)c1F ZINC000833294001 601235184 /nfs/dbraw/zinc/23/51/84/601235184.db2.gz KTBYKBNRPACLFT-UHFFFAOYSA-N -2 3 399.371 2.303 20 0 GEADHL CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)[C@@H]2CCCO[C@H]21 ZINC000828051002 601238101 /nfs/dbraw/zinc/23/81/01/601238101.db2.gz SPSRTOYWNPNIOF-MCCGJVOXSA-N -2 3 375.393 2.145 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@](C)(C(=O)[O-])C2CC2)c(Cl)cc1Cl ZINC000831343958 601247467 /nfs/dbraw/zinc/24/74/67/601247467.db2.gz VKXACUBVJMNNGC-AWEZNQCLSA-N -2 3 396.248 2.312 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cc1C(=O)N(C)C ZINC000484802653 601334461 /nfs/dbraw/zinc/33/44/61/601334461.db2.gz LWKZUCMSUDXZFE-UHFFFAOYSA-N -2 3 392.433 2.204 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2nc(Cc3ccccc3)no2)cc1C(=O)[O-] ZINC000833028696 601401147 /nfs/dbraw/zinc/40/11/47/601401147.db2.gz NTXVOIBOYKUBOA-JTQLQIEISA-N -2 3 391.405 2.300 20 0 GEADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1noc(Cc2ccccc2)n1 ZINC000827748002 601405789 /nfs/dbraw/zinc/40/57/89/601405789.db2.gz YTFNITACRKSCBR-JTQLQIEISA-N -2 3 393.446 2.460 20 0 GEADHL O=C([O-])CCCOc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1 ZINC000833227182 601475270 /nfs/dbraw/zinc/47/52/70/601475270.db2.gz BVUZTWQIGHQQFY-UHFFFAOYSA-N -3 3 393.417 2.358 20 0 GEADHL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(OC)ccc2F)c1 ZINC000831242562 601492215 /nfs/dbraw/zinc/49/22/15/601492215.db2.gz JOBCENJTLAOMFS-UHFFFAOYSA-N -2 3 383.353 2.120 20 0 GEADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CCCCC2)c1F ZINC000831226437 601596643 /nfs/dbraw/zinc/59/66/43/601596643.db2.gz LJXHNNLNVZICMP-AWEZNQCLSA-N -2 3 391.392 2.063 20 0 GEADHL O=C([O-])[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C1CC1 ZINC000554282660 601702120 /nfs/dbraw/zinc/70/21/20/601702120.db2.gz HBPLJGRMBKBJOZ-INIZCTEOSA-N -2 3 392.408 2.220 20 0 GEADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c1 ZINC000751147280 601833290 /nfs/dbraw/zinc/83/32/90/601833290.db2.gz SVERWGPPXQWURG-UHFFFAOYSA-N -3 3 375.280 2.301 20 0 GEADHL Cc1nc(C2([N-]S(=O)(=O)c3ccc(Cl)c(C(=O)[O-])c3)CCCC2)no1 ZINC000832995268 601835338 /nfs/dbraw/zinc/83/53/38/601835338.db2.gz CERAROMGCUFMER-UHFFFAOYSA-N -2 3 385.829 2.477 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)c1-c1nn[n-]n1 ZINC000826304137 607534931 /nfs/dbraw/zinc/53/49/31/607534931.db2.gz YAOJIKQVFQFFCW-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc3oc(=O)ccc3c2)c1-c1nn[n-]n1 ZINC000826304022 607535137 /nfs/dbraw/zinc/53/51/37/607535137.db2.gz RMUOODAYQWWRPH-UHFFFAOYSA-N -2 3 383.389 2.082 20 0 GEADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(=O)OC(C)(C)C ZINC000830174535 602005434 /nfs/dbraw/zinc/00/54/34/602005434.db2.gz OREFNBCKYVZWJD-SECBINFHSA-N -2 3 379.381 2.062 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CCNC(=O)[O-])cc2)cc1 ZINC000738654778 602018992 /nfs/dbraw/zinc/01/89/92/602018992.db2.gz HEZNGHQDMUHPCX-UHFFFAOYSA-N -2 3 377.422 2.392 20 0 GEADHL C[C@H](CC[N-]S(=O)(=O)c1cc(Br)ccc1Cl)NC(=O)[O-] ZINC000738907424 602101245 /nfs/dbraw/zinc/10/12/45/602101245.db2.gz TVMLSHWXLODYGW-SSDOTTSWSA-N -2 3 385.667 2.427 20 0 GEADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)c1cccnc1 ZINC000055313481 602141424 /nfs/dbraw/zinc/14/14/24/602141424.db2.gz FVBZPWIWBOANFD-SSDOTTSWSA-N -2 3 375.200 2.175 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2Cc3ccccc32)c(Br)o1 ZINC000315673192 602146765 /nfs/dbraw/zinc/14/67/65/602146765.db2.gz ZCRJOHJAKOPSJD-SECBINFHSA-N -2 3 386.223 2.359 20 0 GEADHL O=C([O-])Nc1ccc(F)c([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1 ZINC000740704232 602655275 /nfs/dbraw/zinc/65/52/75/602655275.db2.gz YZZZMEKAOXICDO-UHFFFAOYSA-N -2 3 381.341 2.047 20 0 GEADHL O=C([O-])N1CCC(n2cccc2C(=O)Nc2n[n-]c(-c3ccccn3)n2)CC1 ZINC000831810727 603484817 /nfs/dbraw/zinc/48/48/17/603484817.db2.gz RBEKMOOBBHYYGS-UHFFFAOYSA-N -2 3 381.396 2.235 20 0 GEADHL O=C([O-])N[C@@H]1CCCCCC[C@@H]1C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000832357635 603931801 /nfs/dbraw/zinc/93/18/01/603931801.db2.gz GXQPMDPHJJVXCE-NWDGAFQWSA-N -2 3 382.438 2.154 20 0 GEADHL C[C@H](NC(=O)[O-])c1ccc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000825408307 604142084 /nfs/dbraw/zinc/14/20/84/604142084.db2.gz IRHJVPFUROMAEI-JTQLQIEISA-N -2 3 375.356 2.115 20 0 GEADHL CC(C)N1CCN(c2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)c2)CC1 ZINC000833498995 604510194 /nfs/dbraw/zinc/51/01/94/604510194.db2.gz KIGKBBJSZNJOTM-UHFFFAOYSA-N -2 3 393.465 2.309 20 0 GEADHL C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C)c2cc(C)c(C(=O)[O-])o2)ccc1F ZINC000831034328 604597039 /nfs/dbraw/zinc/59/70/39/604597039.db2.gz VPLHMCQHKUYBSV-VIFPVBQESA-N -2 3 385.369 2.251 20 0 GEADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)C(=O)[O-] ZINC000547590079 604872579 /nfs/dbraw/zinc/87/25/79/604872579.db2.gz FSIXGMSAMKDKRF-SNVBAGLBSA-N -2 3 395.231 2.135 20 0 GEADHL CN1CC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)[C@@H]1c1ccc(Cl)cc1 ZINC000833697142 604909489 /nfs/dbraw/zinc/90/94/89/604909489.db2.gz DAPGKPLMZBNRHF-HIFRSBDPSA-N -2 3 384.841 2.355 20 0 GEADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1ccccc1 ZINC000760098758 605015089 /nfs/dbraw/zinc/01/50/89/605015089.db2.gz DJGJJKUZQBKLEW-CQSZACIVSA-N -2 3 381.381 2.107 20 0 GEADHL CCC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C(=O)OC)c1ccccn1 ZINC000833649227 605025868 /nfs/dbraw/zinc/02/58/68/605025868.db2.gz FEPLZLZUDHVKEB-NSHDSACASA-N -2 3 398.462 2.448 20 0 GEADHL CC(C)(C)c1ccc([C@H](O)C[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000833450244 605036163 /nfs/dbraw/zinc/03/61/63/605036163.db2.gz LJYWHHIBZHLPPX-GFCCVEGCSA-N -2 3 384.479 2.151 20 0 GEADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000547591940 605046723 /nfs/dbraw/zinc/04/67/23/605046723.db2.gz JRPGMYKKKVSAKM-OCCSQVGLSA-N -2 3 387.429 2.314 20 0 GEADHL CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cncc(C(=O)[O-])c2)ccc1F ZINC000833431371 605171176 /nfs/dbraw/zinc/17/11/76/605171176.db2.gz UYVXKSSBKXGNGL-UHFFFAOYSA-N -2 3 395.412 2.248 20 0 GEADHL COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])cc1NC(C)=O ZINC000833733055 605186474 /nfs/dbraw/zinc/18/64/74/605186474.db2.gz AZVYTUAQQRWGBI-UHFFFAOYSA-N -2 3 378.406 2.461 20 0 GEADHL C[C@@H]1CN(C(=O)NCc2ccc([O-])c(Br)c2)CC[C@@H]1NC(=O)[O-] ZINC000826008118 605190095 /nfs/dbraw/zinc/19/00/95/605190095.db2.gz SLQIINZUNFHETB-SKDRFNHKSA-N -2 3 386.246 2.342 20 0 GEADHL Cc1nc(C)c(CC(=O)Nc2ccc(Br)c(C(=O)[O-])c2)c(=O)[n-]1 ZINC000833754792 605201415 /nfs/dbraw/zinc/20/14/15/605201415.db2.gz IXOBTWXMONVCFS-UHFFFAOYSA-N -2 3 380.198 2.441 20 0 GEADHL O=C([O-])N[C@H]1CCc2ncc(NC(=O)c3nnc4ccccc4c3[O-])cc2C1 ZINC000834192219 605329789 /nfs/dbraw/zinc/32/97/89/605329789.db2.gz CEDZOYXTNKMJLE-NSHDSACASA-N -2 3 379.376 2.108 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H](CC(C)C)NC(=O)[O-])cc1OC ZINC000827480940 605655876 /nfs/dbraw/zinc/65/58/76/605655876.db2.gz RNYIUVVXEWAGDW-ZDUSSCGKSA-N -2 3 387.458 2.078 20 0 GEADHL O=C([O-])N1CCCN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000834015907 605785419 /nfs/dbraw/zinc/78/54/19/605785419.db2.gz UNXNXBJSAGAWJQ-KRWDZBQOSA-N -2 3 383.404 2.381 20 0 GEADHL O=C([O-])N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000834251861 605834994 /nfs/dbraw/zinc/83/49/94/605834994.db2.gz SFVDHYLZNXKOMO-JTQLQIEISA-N -2 3 382.302 2.122 20 0 GEADHL O=C([O-])N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000834251861 605834997 /nfs/dbraw/zinc/83/49/97/605834997.db2.gz SFVDHYLZNXKOMO-JTQLQIEISA-N -2 3 382.302 2.122 20 0 GEADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)s1 ZINC000819864966 606176535 /nfs/dbraw/zinc/17/65/35/606176535.db2.gz ARLONWKBZLLBKO-MRVPVSSYSA-N -2 3 397.869 2.190 20 0 GEADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)s1 ZINC000819864966 606176537 /nfs/dbraw/zinc/17/65/37/606176537.db2.gz ARLONWKBZLLBKO-MRVPVSSYSA-N -2 3 397.869 2.190 20 0 GEADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c(F)c1 ZINC000822226326 606178761 /nfs/dbraw/zinc/17/87/61/606178761.db2.gz MQDDFQXIJQVNFK-UHFFFAOYSA-N -2 3 395.803 2.086 20 0 GEADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c(F)c1 ZINC000822226326 606178762 /nfs/dbraw/zinc/17/87/62/606178762.db2.gz MQDDFQXIJQVNFK-UHFFFAOYSA-N -2 3 395.803 2.086 20 0 GEADHL CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)cc1 ZINC000820011713 606210213 /nfs/dbraw/zinc/21/02/13/606210213.db2.gz OWYSXDRCPPCFBC-UHFFFAOYSA-N -2 3 387.421 2.212 20 0 GEADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1ccc(Cl)nc1Cl ZINC000823583325 606212528 /nfs/dbraw/zinc/21/25/28/606212528.db2.gz NDTASOYYEILXKI-UHFFFAOYSA-N -2 3 387.208 2.075 20 0 GEADHL O=C([O-])c1ccc2c(=O)n3c(nc2c1)C(=Cc1cc(-c2nnn[n-]2)cs1)CC3 ZINC000823392837 606304336 /nfs/dbraw/zinc/30/43/36/606304336.db2.gz UDNOEPCQXZIMKV-WEVVVXLNSA-N -2 3 392.400 2.281 20 0 GEADHL O=C([O-])c1ccc2c(=O)n3c(nc2c1)C(=Cc1cc(-c2nn[n-]n2)cs1)CC3 ZINC000823392837 606304338 /nfs/dbraw/zinc/30/43/38/606304338.db2.gz UDNOEPCQXZIMKV-WEVVVXLNSA-N -2 3 392.400 2.281 20 0 GEADHL COc1ccc(-c2nc(S[C@@H]3CCCOC3)[n-]c(=O)c2-c2nn[n-]n2)cc1 ZINC000821732658 606360863 /nfs/dbraw/zinc/36/08/63/606360863.db2.gz RQCIWVJEKQVHBL-GFCCVEGCSA-N -2 3 386.437 2.309 20 0 GEADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cnc2ccsc2c1 ZINC000821765576 606590762 /nfs/dbraw/zinc/59/07/62/606590762.db2.gz GQFJTUDNEAQKNA-UHFFFAOYSA-N -2 3 388.434 2.286 20 0 GEADHL COc1ccc(-c2nc(SCCC(C)(C)O)[n-]c(=O)c2-c2nn[n-]n2)cc1 ZINC000821731377 606631842 /nfs/dbraw/zinc/63/18/42/606631842.db2.gz BVWMSEHVBUXOSD-UHFFFAOYSA-N -2 3 388.453 2.291 20 0 GEADHL CSc1ccncc1[N-]S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000821988168 606637736 /nfs/dbraw/zinc/63/77/36/606637736.db2.gz CHAZCKMOJREFQN-UHFFFAOYSA-N -2 3 382.858 2.438 20 0 GEADHL Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3)n[nH]2)s1 ZINC000822214140 606655922 /nfs/dbraw/zinc/65/59/22/606655922.db2.gz QSXLSOFUDMXNIF-UHFFFAOYSA-N -2 3 387.450 2.428 20 0 GEADHL Cc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3)n[nH]2)s1 ZINC000822214140 606655923 /nfs/dbraw/zinc/65/59/23/606655923.db2.gz QSXLSOFUDMXNIF-UHFFFAOYSA-N -2 3 387.450 2.428 20 0 GEADHL Cc1c(F)cccc1S(=O)(=O)[N-]c1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000822035457 606707836 /nfs/dbraw/zinc/70/78/36/606707836.db2.gz VEMYBOFHJFQWFI-UHFFFAOYSA-N -2 3 379.421 2.067 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cnn(-c2ccccc2F)c1 ZINC000822223991 606713234 /nfs/dbraw/zinc/71/32/34/606713234.db2.gz RHIJVYWOHGJFID-UHFFFAOYSA-N -2 3 399.411 2.301 20 0 GEADHL CCc1ccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2-c2nn[n-]n2)s1 ZINC000821487482 606751171 /nfs/dbraw/zinc/75/11/71/606751171.db2.gz UTEYMNNZJGQIQR-UHFFFAOYSA-N -2 3 378.483 2.357 20 0 GEADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000821589552 606820514 /nfs/dbraw/zinc/82/05/14/606820514.db2.gz SPACMLUGSOBIIK-UHFFFAOYSA-N -2 3 398.370 2.151 20 0 GEADHL CCOCc1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000821383311 606865342 /nfs/dbraw/zinc/86/53/42/606865342.db2.gz CDUNWHQKDQEXAX-UHFFFAOYSA-N -2 3 395.391 2.482 20 0 GEADHL CCOCc1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000821383311 606865343 /nfs/dbraw/zinc/86/53/43/606865343.db2.gz CDUNWHQKDQEXAX-UHFFFAOYSA-N -2 3 395.391 2.482 20 0 GEADHL O=S(=O)([N-]c1cc(Cl)ccc1O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823582849 606866645 /nfs/dbraw/zinc/86/66/45/606866645.db2.gz BZEQQPZGYBERME-UHFFFAOYSA-N -2 3 387.755 2.305 20 0 GEADHL O=S(=O)([N-]c1cc(Cl)ccc1O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823582849 606866648 /nfs/dbraw/zinc/86/66/48/606866648.db2.gz BZEQQPZGYBERME-UHFFFAOYSA-N -2 3 387.755 2.305 20 0 GEADHL O=S(=O)([N-][C@@H]1CCc2cc(F)ccc21)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572596 606888876 /nfs/dbraw/zinc/88/88/76/606888876.db2.gz JEJYMCMHYGKXNY-CQSZACIVSA-N -2 3 395.366 2.250 20 0 GEADHL O=S(=O)([N-][C@@H]1C[C@@H]1c1cccc(F)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823573194 606889004 /nfs/dbraw/zinc/88/90/04/606889004.db2.gz RYJTXLMMVXOOLF-BXUZGUMPSA-N -2 3 395.366 2.118 20 0 GEADHL Cc1cc(F)ccc1CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822206110 606896080 /nfs/dbraw/zinc/89/60/80/606896080.db2.gz UVPCUEWHWSFVSJ-UHFFFAOYSA-N -2 3 397.382 2.113 20 0 GEADHL Cc1cccc(C)c1CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822294139 607006536 /nfs/dbraw/zinc/00/65/36/607006536.db2.gz SFNLCLASZTWXCS-UHFFFAOYSA-N -2 3 393.419 2.283 20 0 GEADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000820541245 607107978 /nfs/dbraw/zinc/10/79/78/607107978.db2.gz CRBLWBYYNNFPRO-DCGLDWPTSA-N -2 3 395.419 2.212 20 0 GEADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000820541245 607107979 /nfs/dbraw/zinc/10/79/79/607107979.db2.gz CRBLWBYYNNFPRO-DCGLDWPTSA-N -2 3 395.419 2.212 20 0 GEADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c(Cl)cc1F ZINC000822176614 607130014 /nfs/dbraw/zinc/13/00/14/607130014.db2.gz MTZXCEQQWXYWMN-UHFFFAOYSA-N -2 3 395.803 2.086 20 0 GEADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c(Cl)cc1F ZINC000822176614 607130017 /nfs/dbraw/zinc/13/00/17/607130017.db2.gz MTZXCEQQWXYWMN-UHFFFAOYSA-N -2 3 395.803 2.086 20 0 GEADHL CC1(C)CCC(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820590693 607184365 /nfs/dbraw/zinc/18/43/65/607184365.db2.gz YHOWBFQMONUVQC-UHFFFAOYSA-N -2 3 377.470 2.029 20 0 GEADHL CC1(C)CCC(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820590693 607184366 /nfs/dbraw/zinc/18/43/66/607184366.db2.gz YHOWBFQMONUVQC-UHFFFAOYSA-N -2 3 377.470 2.029 20 0 GEADHL O=C([O-])c1ccc(Cl)cc1NS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823387578 607207663 /nfs/dbraw/zinc/20/76/63/607207663.db2.gz PNGLGZZTICIBLM-UHFFFAOYSA-N -2 3 393.812 2.160 20 0 GEADHL CC1(C)CCCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824802736 607776353 /nfs/dbraw/zinc/77/63/53/607776353.db2.gz PJOHKZLMCRQBBO-CYBMUJFWSA-N -2 3 377.470 2.278 20 0 GEADHL CC1(C)CCCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824802736 607776354 /nfs/dbraw/zinc/77/63/54/607776354.db2.gz PJOHKZLMCRQBBO-CYBMUJFWSA-N -2 3 377.470 2.278 20 0 GEADHL CC1(C)CCCC[C@H]1CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000824801327 607776498 /nfs/dbraw/zinc/77/64/98/607776498.db2.gz DJHSBVUDMQXSEV-AWEZNQCLSA-N -2 3 391.497 2.419 20 0 GEADHL CC1(C)CCCC[C@H]1CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000824801327 607776499 /nfs/dbraw/zinc/77/64/99/607776499.db2.gz DJHSBVUDMQXSEV-AWEZNQCLSA-N -2 3 391.497 2.419 20 0 GEADHL O=S(=O)([N-]c1cccnc1-c1ccccc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826493119 607849181 /nfs/dbraw/zinc/84/91/81/607849181.db2.gz UOZFHGFDXORQJA-UHFFFAOYSA-N -2 3 379.405 2.125 20 0 GEADHL CC1(C)CCC[C@@H](CC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)C1 ZINC000824802000 607922296 /nfs/dbraw/zinc/92/22/96/607922296.db2.gz JHPYLCBFVPCYQM-ZDUSSCGKSA-N -2 3 391.497 2.419 20 0 GEADHL CC1(C)CCC[C@@H](CC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)C1 ZINC000824802000 607922297 /nfs/dbraw/zinc/92/22/97/607922297.db2.gz JHPYLCBFVPCYQM-ZDUSSCGKSA-N -2 3 391.497 2.419 20 0 GEADHL CCSCc1ccnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000825674122 608057279 /nfs/dbraw/zinc/05/72/79/608057279.db2.gz IGIMWJUUVDZSKD-UHFFFAOYSA-N -2 3 394.457 2.455 20 0 GEADHL CCSCc1ccnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000825674122 608057280 /nfs/dbraw/zinc/05/72/80/608057280.db2.gz IGIMWJUUVDZSKD-UHFFFAOYSA-N -2 3 394.457 2.455 20 0 GEADHL CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)cc1 ZINC000825339253 608107531 /nfs/dbraw/zinc/10/75/31/608107531.db2.gz UBBXSGGHAAZVFM-UHFFFAOYSA-N -2 3 387.421 2.234 20 0 GEADHL C[C@@H]1CC(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C[C@@H](C)C1 ZINC000824877626 609146432 /nfs/dbraw/zinc/14/64/32/609146432.db2.gz ZIUABXOVTSZTSM-UWVGGRQHSA-N -2 3 397.888 2.397 20 0 GEADHL C[C@@H]1CC(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C[C@@H](C)C1 ZINC000824877626 609146434 /nfs/dbraw/zinc/14/64/34/609146434.db2.gz ZIUABXOVTSZTSM-UWVGGRQHSA-N -2 3 397.888 2.397 20 0 GEADHL Cc1cc(Cl)c(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000826267836 609354419 /nfs/dbraw/zinc/35/44/19/609354419.db2.gz YZHGHXUQMYYSQX-UHFFFAOYSA-N -2 3 391.840 2.256 20 0 GEADHL Cc1cc(Cl)c(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000826267836 609354422 /nfs/dbraw/zinc/35/44/22/609354422.db2.gz YZHGHXUQMYYSQX-UHFFFAOYSA-N -2 3 391.840 2.256 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)nn1[C@@H](C)C1CC1 ZINC000826303865 609470475 /nfs/dbraw/zinc/47/04/75/609470475.db2.gz JQUMMPGYGIPFGV-LBPRGKRZSA-N -2 3 387.469 2.452 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)nn1[C@@H](C)C1CC1 ZINC000826303865 609470478 /nfs/dbraw/zinc/47/04/78/609470478.db2.gz JQUMMPGYGIPFGV-LBPRGKRZSA-N -2 3 387.469 2.452 20 0 GEADHL CSc1nnc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])s1 ZINC000451441186 650114298 /nfs/dbraw/zinc/11/42/98/650114298.db2.gz ZPQRJOLSEICLFL-UHFFFAOYSA-N -2 3 385.414 2.463 20 0 GEADHL COc1cccc(C(F)(F)C[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)n1 ZINC000505843302 650441752 /nfs/dbraw/zinc/44/17/52/650441752.db2.gz XAMANRKTBBFIPW-UHFFFAOYSA-N -2 3 392.405 2.229 20 0 GEADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](CCC(C)(C)C)C(=O)[O-] ZINC000485062732 650692570 /nfs/dbraw/zinc/69/25/70/650692570.db2.gz ZWDZSCMTMPFVKP-GFCCVEGCSA-N -2 3 375.418 2.170 20 0 GEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2Cl)c1 ZINC000530372144 650723479 /nfs/dbraw/zinc/72/34/79/650723479.db2.gz QVRKUJJFCYSRIZ-GFCCVEGCSA-N -2 3 389.838 2.292 20 0 GEADHL COCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000014048981 642375907 /nfs/dbraw/zinc/37/59/07/642375907.db2.gz BLPWXIRLAJIDFE-UHFFFAOYSA-N -2 3 384.841 2.223 20 0 GEADHL CC(C)CCC(=O)[N-][N-]S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000066589407 642926604 /nfs/dbraw/zinc/92/66/04/642926604.db2.gz NVXFRGOMBDHUGK-UHFFFAOYSA-N -3 3 383.253 2.437 20 0 GEADHL CC(C)CCC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000066813855 642939892 /nfs/dbraw/zinc/93/98/92/642939892.db2.gz MCPYNAIAEIHMNL-UHFFFAOYSA-N -3 3 383.253 2.437 20 0 GEADHL Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccc(Br)cc1[O-] ZINC000104849109 643195425 /nfs/dbraw/zinc/19/54/25/643195425.db2.gz UIKGQRGGWJVIIR-UHFFFAOYSA-N -2 3 391.225 2.289 20 0 GEADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2ccc(Br)cc2F)o1 ZINC000161823110 644221233 /nfs/dbraw/zinc/22/12/33/644221233.db2.gz LDKJOLOSJKBQPU-UHFFFAOYSA-N -2 3 378.175 2.358 20 0 GEADHL O=C([N-]OCc1ccc(F)cc1Br)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000186884039 645077397 /nfs/dbraw/zinc/07/73/97/645077397.db2.gz WQJKNGBYFDQKGW-UHFFFAOYSA-N -2 3 386.133 2.459 20 0 GEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccsc2)c1 ZINC000547541672 651030040 /nfs/dbraw/zinc/03/00/40/651030040.db2.gz CRQAEEWEKNERBF-SNVBAGLBSA-N -2 3 375.449 2.091 20 0 GEADHL Cc1cc(S(=O)(=O)[N-][C@@H](CC(=O)c2cccs2)C(=O)[O-])c(F)cc1F ZINC000547891620 651051915 /nfs/dbraw/zinc/05/19/15/651051915.db2.gz UUJSPXMUBMUKIZ-NSHDSACASA-N -2 3 389.401 2.339 20 0 GEADHL O=C([O-])[C@H](Cc1ccco1)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000547936348 651057026 /nfs/dbraw/zinc/05/70/26/651057026.db2.gz JTOLQFUZKAPJOA-NSHDSACASA-N -2 3 392.202 2.155 20 0 GEADHL CC(C)C[N-]S(=O)(=O)c1cc(C(=O)NCCC(=O)[O-])c(Cl)cc1Cl ZINC000269211932 646023142 /nfs/dbraw/zinc/02/31/42/646023142.db2.gz WPUYOZBACQPXLD-UHFFFAOYSA-N -2 3 397.280 2.132 20 0 GEADHL CCc1cccnc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)CC)c(F)c1 ZINC000271923204 646241733 /nfs/dbraw/zinc/24/17/33/646241733.db2.gz SGGGLTBLZZIDES-UHFFFAOYSA-N -2 3 387.458 2.346 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2C=C[C@@H](C(=O)[O-])C2)c(Cl)cc1Cl ZINC000274934520 646335339 /nfs/dbraw/zinc/33/53/39/646335339.db2.gz CYKJVUFVRVNVCC-HTQZYQBOSA-N -2 3 394.232 2.088 20 0 GEADHL CCO[C@@H]1C[C@]([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)(C(=O)[O-])C1(C)C ZINC000275770261 646359252 /nfs/dbraw/zinc/35/92/52/646359252.db2.gz SUTJTGCZDMXBJQ-YGRLFVJLSA-N -2 3 397.280 2.325 20 0 GEADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(=O)N(C)C)ccc1Cl ZINC000392926044 647894895 /nfs/dbraw/zinc/89/48/95/647894895.db2.gz CNUZVKXNRHEPMI-UHFFFAOYSA-N -2 3 386.813 2.442 20 0 GEADHL O=C([O-])[C@@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000548213031 651068170 /nfs/dbraw/zinc/06/81/70/651068170.db2.gz XZLJIRWJIQOQLW-SNVBAGLBSA-N -2 3 393.364 2.170 20 0 GEADHL COc1ccccc1[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)C(=O)[O-] ZINC000548531645 651079329 /nfs/dbraw/zinc/07/93/29/651079329.db2.gz ZWGJLBGEQQBQTF-CQSZACIVSA-N -2 3 375.324 2.217 20 0 GEADHL O=C([O-])[C@@H](Cc1c[nH]cn1)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000551995818 651136917 /nfs/dbraw/zinc/13/69/17/651136917.db2.gz PSSZZKYIYKVGII-SNVBAGLBSA-N -2 3 397.762 2.056 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@](C)(CCC(C)(C)C)C(=O)[O-])oc1C ZINC000556418570 651244013 /nfs/dbraw/zinc/24/40/13/651244013.db2.gz RBWMJVBABOBJBX-INIZCTEOSA-N -2 3 375.443 2.323 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cccs2)s1 ZINC000604023746 651506835 /nfs/dbraw/zinc/50/68/35/651506835.db2.gz QLIOHEPCCDNCCU-QMMMGPOBSA-N -2 3 375.449 2.091 20 0 GEADHL O=C([O-])CCCN1CCC([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)CC1 ZINC000569977924 651737766 /nfs/dbraw/zinc/73/77/66/651737766.db2.gz ROIORGAPEBXOTP-UHFFFAOYSA-N -2 3 396.843 2.226 20 0 GEADHL C[C@H](C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000570798225 651792348 /nfs/dbraw/zinc/79/23/48/651792348.db2.gz VNWIHIAOHYVNLW-MRVPVSSYSA-N -2 3 377.344 2.209 20 0 GEADHL C[C@@H]([C@@H]([N-]S(=O)(=O)c1cccc(Br)c1F)C(=O)[O-])C1CC1 ZINC000574055734 651998649 /nfs/dbraw/zinc/99/86/49/651998649.db2.gz KEOPWKMIVPQQAC-JMCQJSRRSA-N -2 3 380.235 2.366 20 0 GEADHL CCc1nnc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)s1 ZINC000574446513 652022276 /nfs/dbraw/zinc/02/22/76/652022276.db2.gz IUFAFMCSHXADRQ-UHFFFAOYSA-N -2 3 395.384 2.296 20 0 GEADHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](O)Cc2ccccc2)sc1Cl ZINC000577179704 652168304 /nfs/dbraw/zinc/16/83/04/652168304.db2.gz ADTQUOOMTCBBBK-DGCLKSJQSA-N -2 3 389.882 2.045 20 0 GEADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(Cl)c2)c1 ZINC000749163852 652237703 /nfs/dbraw/zinc/23/77/03/652237703.db2.gz ZUANAENLDPLYIM-UHFFFAOYSA-N -2 3 378.797 2.420 20 0 GEADHL O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000583418133 652484110 /nfs/dbraw/zinc/48/41/10/652484110.db2.gz JMZRWUBORKQGIZ-MNOVXSKESA-N -2 3 377.260 2.156 20 0 GEADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cccc(Br)c1F)C1CCC1 ZINC000663254618 652486966 /nfs/dbraw/zinc/48/69/66/652486966.db2.gz BKICTRWIEOUJIF-SECBINFHSA-N -2 3 380.235 2.367 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)[C@H]1CCCO1 ZINC000630424970 652508041 /nfs/dbraw/zinc/50/80/41/652508041.db2.gz YIRPDFKATWFYNI-LDYMZIIASA-N -2 3 398.662 2.013 20 0 GEADHL C/C=C/C[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000584758864 652528088 /nfs/dbraw/zinc/52/80/88/652528088.db2.gz ARUOPLDJEFWQGR-JDGPPOGSSA-N -2 3 379.210 2.440 20 0 GEADHL Cc1ccn(C)c(=O)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000758443363 652542092 /nfs/dbraw/zinc/54/20/92/652542092.db2.gz DOXZUZXCUGENRN-UHFFFAOYSA-N -2 3 391.232 2.500 20 0 GEADHL CCOC(=O)CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000761258267 652639040 /nfs/dbraw/zinc/63/90/40/652639040.db2.gz AMEBBQLFMWZCKF-UHFFFAOYSA-N -2 3 384.237 2.313 20 0 GEADHL Cc1ocnc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Br ZINC000761307737 652642552 /nfs/dbraw/zinc/64/25/52/652642552.db2.gz NCQIXPARSUHULF-UHFFFAOYSA-N -2 3 393.190 2.061 20 0 GEADHL CC1(C)CCCN(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000766349702 652876747 /nfs/dbraw/zinc/87/67/47/652876747.db2.gz DQZRMAMJSHGGCA-UHFFFAOYSA-N -2 3 376.425 2.063 20 0 GEADHL COc1cccc(C[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)C(=O)[O-])c1 ZINC000681560612 653184942 /nfs/dbraw/zinc/18/49/42/653184942.db2.gz IPGJMFJKDSVQSM-NSHDSACASA-N -2 3 375.855 2.384 20 0 GEADHL Cn1cc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)nc1Cl ZINC000776538922 653355654 /nfs/dbraw/zinc/35/56/54/653355654.db2.gz TUJZBBNFYYJDOC-SNVBAGLBSA-N -2 3 392.264 2.264 20 0 GEADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Br)cn1)CC1CCCC1 ZINC000776550721 653356911 /nfs/dbraw/zinc/35/69/11/653356911.db2.gz DANRJRVLZPVFPR-NSHDSACASA-N -2 3 391.287 2.404 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)[C@@H](O)c1ccccc1 ZINC000776594975 653362178 /nfs/dbraw/zinc/36/21/78/653362178.db2.gz FEGMMWAQHBCVSZ-KBPBESRZSA-N -2 3 390.244 2.459 20 0 GEADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])CC(C)(C)C)c1 ZINC000776590019 653362316 /nfs/dbraw/zinc/36/23/16/653362316.db2.gz YSJACJLCQLJYSV-LLVKDONJSA-N -2 3 375.418 2.170 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)[C@@H](O)c1ccccc1 ZINC000776602267 653363726 /nfs/dbraw/zinc/36/37/26/653363726.db2.gz NKYOGXJIFKWQTP-KGLIPLIRSA-N -2 3 390.244 2.459 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CCC2)c(Cl)cc1Cl ZINC000776617543 653365202 /nfs/dbraw/zinc/36/52/02/653365202.db2.gz VWHVCKJEKMEASG-LBPRGKRZSA-N -2 3 396.248 2.312 20 0 GEADHL CC(C)(CC[N-]S(=O)(=O)c1ccc(Cl)c2nonc21)CCC(=O)[O-] ZINC000837289125 653420254 /nfs/dbraw/zinc/42/02/54/653420254.db2.gz UVJYKRVAROPBRN-UHFFFAOYSA-N -2 3 375.834 2.436 20 0 GEADHL C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000837289203 653420272 /nfs/dbraw/zinc/42/02/72/653420272.db2.gz WLNRSJOEXMBVHX-RKDXNWHRSA-N -2 3 375.834 2.434 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)[C@H](C)C(=O)[O-])c(Cl)cc1Cl ZINC000837290806 653420935 /nfs/dbraw/zinc/42/09/35/653420935.db2.gz CQDAFNKDGJSNFK-BQBZGAKWSA-N -2 3 384.237 2.168 20 0 GEADHL CC[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000840889657 653697684 /nfs/dbraw/zinc/69/76/84/653697684.db2.gz GHGYQJKVJOPCCK-SSDOTTSWSA-N -2 3 391.314 2.299 20 0 GEADHL CCC[C@@H](C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br)OC ZINC000840890487 653697916 /nfs/dbraw/zinc/69/79/16/653697916.db2.gz LMDRYNRCHRFZKQ-ZETCQYMHSA-N -2 3 386.289 2.302 20 0 GEADHL CCC[C@H](C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br)OC ZINC000840890481 653697979 /nfs/dbraw/zinc/69/79/79/653697979.db2.gz LMDRYNRCHRFZKQ-SSDOTTSWSA-N -2 3 386.289 2.302 20 0 GEADHL CC(C)[C@H]1C[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CCO1 ZINC000840892512 653698328 /nfs/dbraw/zinc/69/83/28/653698328.db2.gz VOXFFNQOBFBBQP-QMTHXVAHSA-N -2 3 377.409 2.393 20 0 GEADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]CC(CC)(CC)C(=O)[O-])c1 ZINC000818431580 653731564 /nfs/dbraw/zinc/73/15/64/653731564.db2.gz WAHRATKNVSILJI-UHFFFAOYSA-N -2 3 375.418 2.172 20 0 GEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Br)nc2OC)c1 ZINC000788759657 653764416 /nfs/dbraw/zinc/76/44/16/653764416.db2.gz DQTLSJZSFCFUHR-UHFFFAOYSA-N -2 3 389.227 2.368 20 0 GEADHL COC(=O)c1sc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(=O)[O-])c(C)c1Cl ZINC000843295286 653783934 /nfs/dbraw/zinc/78/39/34/653783934.db2.gz JZUBWZLVOUWXDS-DTWKUNHWSA-N -2 3 395.886 2.418 20 0 GEADHL COC(=O)c1sc(S(=O)(=O)[N-]C2([C@@H](C)C(=O)[O-])CC2)c(C)c1Cl ZINC000844820776 653820487 /nfs/dbraw/zinc/82/04/87/653820487.db2.gz ZACMCNARYRCMBG-ZETCQYMHSA-N -2 3 381.859 2.028 20 0 GEADHL COC(=O)c1sc(S(=O)(=O)[N-]C[C@H](CC2CC2)C(=O)[O-])c(C)c1Cl ZINC000844821193 653820525 /nfs/dbraw/zinc/82/05/25/653820525.db2.gz LXPQJELEAWYXSL-VIFPVBQESA-N -2 3 395.886 2.276 20 0 GEADHL COC1(C[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)C(=O)[O-])CCC1 ZINC000844826479 653821563 /nfs/dbraw/zinc/82/15/63/653821563.db2.gz SEUQLAATXBHNLA-JTQLQIEISA-N -2 3 383.253 2.079 20 0 GEADHL O=S(=O)([N-]c1ncc(-c2nnn[n-]2)s1)c1cccc(OC(F)(F)F)c1 ZINC000823589154 653873233 /nfs/dbraw/zinc/87/32/33/653873233.db2.gz QJVZQRSXUIDLGE-UHFFFAOYSA-N -2 3 392.344 2.023 20 0 GEADHL O=S(=O)([N-]c1ncc(-c2nnn[n-]2)s1)c1ccc(Cl)c(Cl)c1 ZINC000823589385 653873311 /nfs/dbraw/zinc/87/33/11/653873311.db2.gz XKJYCJYZOQBORO-UHFFFAOYSA-N -2 3 377.238 2.431 20 0 GEADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccs2)c1 ZINC000794758158 653918495 /nfs/dbraw/zinc/91/84/95/653918495.db2.gz XSCMAONRPYFFCX-CYBMUJFWSA-N -2 3 387.410 2.168 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)c(Cl)cc1Cl ZINC000794767854 653919962 /nfs/dbraw/zinc/91/99/62/653919962.db2.gz PBZVOLVETUVMMC-UHFFFAOYSA-N -2 3 396.248 2.313 20 0 GEADHL COC(=O)c1sc(S(=O)(=O)[N-][C@H](CC2CCC2)C(=O)[O-])c(C)c1Cl ZINC000794917790 653924570 /nfs/dbraw/zinc/92/45/70/653924570.db2.gz YCHCWQIGJTVQJB-SECBINFHSA-N -2 3 395.886 2.418 20 0 GEADHL O=C([O-])C1CC2(C1)C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)CCS2 ZINC000899948651 654040324 /nfs/dbraw/zinc/04/03/24/654040324.db2.gz HVLIFACMIVAXJT-QMJNDHNRSA-N -2 3 377.434 2.372 20 0 GEADHL COC(=O)c1sc(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)c(C)c1Cl ZINC000800022020 654125555 /nfs/dbraw/zinc/12/55/55/654125555.db2.gz GBKFKHWWMJSRDY-UHFFFAOYSA-N -2 3 381.859 2.172 20 0 GEADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-][C@@H]2CO[C@@H](C3CC3)C2)s1 ZINC000872001121 654308098 /nfs/dbraw/zinc/30/80/98/654308098.db2.gz VIXKZOFMBOVEQS-IONNQARKSA-N -2 3 396.284 2.055 20 0 GEADHL CC[N-]S(=O)(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000153718220 531607976 /nfs/dbraw/zinc/60/79/76/531607976.db2.gz ODQXVDHOZAJWQH-UHFFFAOYSA-N -2 3 394.396 2.203 20 0 GEADHL CC1(C)CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000127654984 532155878 /nfs/dbraw/zinc/15/58/78/532155878.db2.gz FTRAOBMDCCGQCQ-CQSZACIVSA-N -2 3 378.491 2.444 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)cc1F ZINC000135336160 532271257 /nfs/dbraw/zinc/27/12/57/532271257.db2.gz RTLJCOIOVUGVPX-UHFFFAOYSA-N -2 3 383.426 2.479 20 0 GEADHL Cc1ccccc1S(=O)(=O)[N-]c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000150868630 532303735 /nfs/dbraw/zinc/30/37/35/532303735.db2.gz MTBZCDUHCWDYGV-UHFFFAOYSA-N -2 3 384.454 2.376 20 0 GEADHL Cc1cc(Br)cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000185975673 532339316 /nfs/dbraw/zinc/33/93/16/532339316.db2.gz NVQAJOVIRHSEFQ-UHFFFAOYSA-N -2 3 395.234 2.442 20 0 GEADHL Cc1cccc(F)c1S(=O)(=O)[N-]c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000186930034 532342671 /nfs/dbraw/zinc/34/26/71/532342671.db2.gz AVMVXXPYHZWCLO-UHFFFAOYSA-N -2 3 376.406 2.446 20 0 GEADHL CN(C)[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)c1cccs1 ZINC000184873280 532335107 /nfs/dbraw/zinc/33/51/07/532335107.db2.gz YLCICBXOYJIZNP-GFCCVEGCSA-N -2 3 390.433 2.306 20 0 GEADHL CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F)c1cccs1 ZINC000184873023 532335161 /nfs/dbraw/zinc/33/51/61/532335161.db2.gz VBSMOJHXLMSSTL-NSHDSACASA-N -2 3 390.433 2.306 20 0 GEADHL CO[C@H](CS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-])C1CCOCC1 ZINC000647125331 532368768 /nfs/dbraw/zinc/36/87/68/532368768.db2.gz NBYWJBODOHOLPM-CQSZACIVSA-N -2 3 377.846 2.222 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)[C@@H]1CCOC2(CCC2)C1 ZINC000372268148 532379585 /nfs/dbraw/zinc/37/95/85/532379585.db2.gz OYGSKEUTEMTQHU-BXKDBHETSA-N -2 3 379.887 2.482 20 0 GEADHL O=C(Cc1ccc(Br)cc1[O-])N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425300977 532383297 /nfs/dbraw/zinc/38/32/97/532383297.db2.gz LTHVSYHBUMVRFR-SNVBAGLBSA-N -2 3 382.214 2.192 20 0 GEADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cccs1)Cc1cc(F)c(F)c(F)c1 ZINC000516839321 532392797 /nfs/dbraw/zinc/39/27/97/532392797.db2.gz XJWCRWVTRAKSBE-SECBINFHSA-N -2 3 379.381 2.387 20 0 GEADHL CC(C)=CCSC[C@H]([N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C)C(=O)[O-] ZINC000591325724 532406983 /nfs/dbraw/zinc/40/69/83/532406983.db2.gz QFKWGLLTYYYKIC-STQMWFEESA-N -2 3 387.527 2.211 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)Cc1c(F)cccc1F)c1cc(F)ccc1F ZINC000681567048 532430742 /nfs/dbraw/zinc/43/07/42/532430742.db2.gz JWIHCSUUKFPKTF-CQSZACIVSA-N -2 3 377.315 2.488 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)c1cc(F)ccc1F ZINC000681566959 532430853 /nfs/dbraw/zinc/43/08/53/532430853.db2.gz IZKJIPOWBYSMQE-CYBMUJFWSA-N -2 3 381.278 2.486 20 0 GEADHL Cc1cccc2cc(S(=O)(=O)[N-][C@H](CN3CCCCC3)C(=O)[O-])sc21 ZINC000650413145 532443402 /nfs/dbraw/zinc/44/34/02/532443402.db2.gz NYYIFQXTLYKMKK-CQSZACIVSA-N -2 3 382.507 2.427 20 0 GEADHL COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])CC(C)(C)C)c1 ZINC000562321216 532462513 /nfs/dbraw/zinc/46/25/13/532462513.db2.gz WTDJQBSPTVVJGK-LBPRGKRZSA-N -2 3 375.418 2.170 20 0 GEADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)C[C@@H]1CCCC1(F)F)Oc1ccc(F)cc1 ZINC000562644846 532475724 /nfs/dbraw/zinc/47/57/24/532475724.db2.gz LGWSLCKNZBIVFV-GXFFZTMASA-N -2 3 381.372 2.013 20 0 GEADHL O=C([O-])[C@H]1C=C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000282882930 532504691 /nfs/dbraw/zinc/50/46/91/532504691.db2.gz CUUJPRJWEVIDPZ-YUMQZZPRSA-N -2 3 380.647 2.410 20 0 GEADHL COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000521604981 532515774 /nfs/dbraw/zinc/51/57/74/532515774.db2.gz YASWPAMNJMRWLN-UHFFFAOYSA-N -2 3 380.809 2.341 20 0 GEADHL CC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC)C(=O)[O-] ZINC000564080697 532516082 /nfs/dbraw/zinc/51/60/82/532516082.db2.gz PDXQHDOPSKFXSY-MEBBXXQBSA-N -2 3 379.862 2.285 20 0 GEADHL CC[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000564923202 532538371 /nfs/dbraw/zinc/53/83/71/532538371.db2.gz DMALWCYNYTUJDW-SNVBAGLBSA-N -2 3 384.435 2.042 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc3cc[nH]c3c2)c(F)c1 ZINC000432643762 532544019 /nfs/dbraw/zinc/54/40/19/532544019.db2.gz PORXUZQQDOKOLY-UHFFFAOYSA-N -2 3 383.426 2.479 20 0 GEADHL COc1cc(S(=O)(=O)[N-]c2cc(C)ccc2[N-]S(C)(=O)=O)ccc1F ZINC000471603857 532554011 /nfs/dbraw/zinc/55/40/11/532554011.db2.gz VCGUNIDREUPKQF-UHFFFAOYSA-N -2 3 388.442 2.315 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cn2)cc1F ZINC000433394726 532567212 /nfs/dbraw/zinc/56/72/12/532567212.db2.gz BZHBAIPIJHPRGT-UHFFFAOYSA-N -2 3 379.822 2.046 20 0 GEADHL O=C([O-])[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000654778279 532569307 /nfs/dbraw/zinc/56/93/07/532569307.db2.gz VTPQVGRAEVNWNC-PSASIEDQSA-N -2 3 380.235 2.367 20 0 GEADHL COc1cc(C)ccc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000433617372 532574569 /nfs/dbraw/zinc/57/45/69/532574569.db2.gz OYRKOZXYBYMCIR-UHFFFAOYSA-N -2 3 388.442 2.315 20 0 GEADHL CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2CCC(=O)[O-])s1 ZINC000297251857 532577316 /nfs/dbraw/zinc/57/73/16/532577316.db2.gz QSSOQRGFUBRZLY-OCCSQVGLSA-N -2 3 388.511 2.086 20 0 GEADHL CC[C@@H](CC[N-]S(=O)(=O)c1cc(OC)ccc1Br)C(=O)[O-] ZINC000297326417 532581531 /nfs/dbraw/zinc/58/15/31/532581531.db2.gz XGRMJTSROUXKTP-VIFPVBQESA-N -2 3 380.260 2.237 20 0 GEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000530154254 532618126 /nfs/dbraw/zinc/61/81/26/532618126.db2.gz RZFMHBTYPBRRHN-ZZIUEJKTSA-N -2 3 377.846 2.137 20 0 GEADHL COc1ccc2c(c1)CCC[C@@H]2C[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000566174842 532597857 /nfs/dbraw/zinc/59/78/57/532597857.db2.gz XEIAJAMDBYFMJC-LLVKDONJSA-N -2 3 382.463 2.248 20 0 GEADHL CO[C@@H](C[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)[O-])C1CC1 ZINC000656169405 532606940 /nfs/dbraw/zinc/60/69/40/532606940.db2.gz OKCGGCXGLBWKKN-RYUDHWBXSA-N -2 3 381.372 2.252 20 0 GEADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-][C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000656181120 532609312 /nfs/dbraw/zinc/60/93/12/532609312.db2.gz PAYXLUKQTSCDAQ-MFKMUULPSA-N -2 3 381.372 2.472 20 0 GEADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-][C@@H](C[C@H]2CCCO2)C(F)(F)F)cc1 ZINC000656180816 532609597 /nfs/dbraw/zinc/60/95/97/532609597.db2.gz MEQISGVZGHDRPC-YPMHNXCESA-N -2 3 381.372 2.092 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-][C@@H](C[C@@H]2CCCO2)C(F)(F)F)c1C(=O)[O-] ZINC000656180755 532609672 /nfs/dbraw/zinc/60/96/72/532609672.db2.gz LFKKUFBSHIMUOZ-JQWIXIFHSA-N -2 3 381.372 2.472 20 0 GEADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000436662537 532640726 /nfs/dbraw/zinc/64/07/26/532640726.db2.gz GHJKENYRTQFYDJ-UHFFFAOYSA-N -2 3 376.312 2.393 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)ccc1[O-] ZINC000436873874 532645348 /nfs/dbraw/zinc/64/53/48/532645348.db2.gz TWFLRZRHHVEZCU-UHFFFAOYSA-N -2 3 375.761 2.478 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ncc(C(F)(F)F)s2)ccc1[O-] ZINC000437002186 532647195 /nfs/dbraw/zinc/64/71/95/532647195.db2.gz LXPKNXLSBBMIDV-UHFFFAOYSA-N -2 3 382.341 2.455 20 0 GEADHL O=C([O-])CC[N-]S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000534761517 532672390 /nfs/dbraw/zinc/67/23/90/532672390.db2.gz AXYSXJGMXLIYPX-UHFFFAOYSA-N -2 3 391.268 2.326 20 0 GEADHL Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1)C(=O)[O-] ZINC000569554763 532699481 /nfs/dbraw/zinc/69/94/81/532699481.db2.gz IQYOKWCYRSNIEL-SNVBAGLBSA-N -2 3 396.368 2.296 20 0 GEADHL Cc1cc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC(F)(F)F)no1 ZINC000573272701 532709845 /nfs/dbraw/zinc/70/98/45/532709845.db2.gz WGULVDDDUPSWRL-UHFFFAOYSA-N -2 3 380.300 2.058 20 0 GEADHL CC(C)c1nc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cn1C ZINC000576800293 532729311 /nfs/dbraw/zinc/72/93/11/532729311.db2.gz CLYRKEHPFWNRQJ-ZDUSSCGKSA-N -2 3 389.836 2.440 20 0 GEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(CS(C)(=O)=O)c2C)c1 ZINC000539400503 532729587 /nfs/dbraw/zinc/72/95/87/532729587.db2.gz LXKQTAUBJKVMKK-UHFFFAOYSA-N -2 3 385.463 2.055 20 0 GEADHL O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccc(F)cc1[O-] ZINC000442982525 532737681 /nfs/dbraw/zinc/73/76/81/532737681.db2.gz XTHSTKVRDVRKAS-UHFFFAOYSA-N -2 3 390.795 2.032 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CCC(C)(C)C)C(=O)[O-])cc1F ZINC000446135458 532754843 /nfs/dbraw/zinc/75/48/43/532754843.db2.gz FPANLLSYCKULOV-CYBMUJFWSA-N -2 3 375.418 2.170 20 0 GEADHL CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000547612595 532787222 /nfs/dbraw/zinc/78/72/22/532787222.db2.gz MFPOKLOPAKHMPL-MWLCHTKSSA-N -2 3 379.276 2.402 20 0 GEADHL CCC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000547612593 532787738 /nfs/dbraw/zinc/78/77/38/532787738.db2.gz MFPOKLOPAKHMPL-GXSJLCMTSA-N -2 3 379.276 2.402 20 0 GEADHL O=C([O-])Cc1csc(CC[N-]S(=O)(=O)c2cccc(Cl)c2F)n1 ZINC000548205703 532789359 /nfs/dbraw/zinc/78/93/59/532789359.db2.gz BKSXMVAGZNZJBH-UHFFFAOYSA-N -2 3 378.834 2.084 20 0 GEADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@@H](C)CCC(=O)[O-] ZINC000548221581 532789866 /nfs/dbraw/zinc/78/98/66/532789866.db2.gz YJFAOXYWSWZXLQ-JTQLQIEISA-N -2 3 385.463 2.467 20 0 GEADHL C[C@H]1[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)CCN1Cc1ccccc1 ZINC000287320077 532791419 /nfs/dbraw/zinc/79/14/19/532791419.db2.gz VCVYIHCEIOQSIY-SWLSCSKDSA-N -2 3 380.491 2.388 20 0 GEADHL CCC(=O)C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000551593100 532801381 /nfs/dbraw/zinc/80/13/81/532801381.db2.gz JMEBOOYHCZEIRJ-VIFPVBQESA-N -2 3 398.662 2.203 20 0 GEADHL Cn1cccc1S(=O)(=O)[N-]c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000414368792 532822895 /nfs/dbraw/zinc/82/28/95/532822895.db2.gz DFDJSHLVAVHDKE-UHFFFAOYSA-N -2 3 389.474 2.042 20 0 GEADHL C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Br)CCO1 ZINC000273691042 532830863 /nfs/dbraw/zinc/83/08/63/532830863.db2.gz MCJXHMAZVSKTAK-YUMQZZPRSA-N -2 3 396.234 2.132 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCCOC[C@@H]2CCCO2)cc(F)c1Cl ZINC000273807378 532834783 /nfs/dbraw/zinc/83/47/83/532834783.db2.gz YCNOLOPFALXSKC-JTQLQIEISA-N -2 3 395.836 2.041 20 0 GEADHL O=C([O-])[C@@H](CN1CCCCC1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000274969976 532860897 /nfs/dbraw/zinc/86/08/97/532860897.db2.gz KFROKXUETRNBGH-GFCCVEGCSA-N -2 3 381.281 2.211 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)(C)C)cc1Cl ZINC000275013883 532861351 /nfs/dbraw/zinc/86/13/51/532861351.db2.gz CDVZTHVXWDRKPB-LBPRGKRZSA-N -2 3 380.825 2.215 20 0 GEADHL COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C)c1 ZINC000275003107 532861423 /nfs/dbraw/zinc/86/14/23/532861423.db2.gz MBXHFKKYUZJWBU-NSHDSACASA-N -2 3 380.260 2.235 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H](C)C(=O)[O-])s1 ZINC000275076600 532863299 /nfs/dbraw/zinc/86/32/99/532863299.db2.gz XRMNYFIBPADBNR-YGRLFVJLSA-N -2 3 383.447 2.275 20 0 GEADHL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000275278368 532870960 /nfs/dbraw/zinc/87/09/60/532870960.db2.gz RNHDDWXGUYFIHH-DGCLKSJQSA-N -2 3 391.873 2.429 20 0 GEADHL O=S(=O)([N-]CCCCCCC[N-]S(=O)(=O)c1ccco1)c1ccco1 ZINC000275524972 532877703 /nfs/dbraw/zinc/87/77/03/532877703.db2.gz WGDPTZQNRATBFZ-UHFFFAOYSA-N -2 3 390.483 2.080 20 0 GEADHL CCOC[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000290664878 532886348 /nfs/dbraw/zinc/88/63/48/532886348.db2.gz OHYUANINGGSJDH-VIFPVBQESA-N -2 3 375.752 2.127 20 0 GEADHL O=C([O-])[C@@H](CC(F)F)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000291894913 532910466 /nfs/dbraw/zinc/91/04/66/532910466.db2.gz PJFUCSZEBSULND-RXMQYKEDSA-N -2 3 381.250 2.111 20 0 GEADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)s1 ZINC000292391165 532916066 /nfs/dbraw/zinc/91/60/66/532916066.db2.gz VVEUBABIVDUBTB-MRXNPFEDSA-N -2 3 379.463 2.220 20 0 GEADHL O=S(=O)([N-]c1ccc2c(c1)OC(F)(F)O2)c1ccc(-c2nnn[n-]2)cc1F ZINC000738342184 598842037 /nfs/dbraw/zinc/84/20/37/598842037.db2.gz OBRCQQPTMBLLBM-UHFFFAOYSA-N -2 3 399.310 2.128 20 0 GEADHL O=S(=O)([N-]c1ccc2c(c1)OC(F)(F)O2)c1ccc(-c2nn[n-]n2)cc1F ZINC000738342184 598842038 /nfs/dbraw/zinc/84/20/38/598842038.db2.gz OBRCQQPTMBLLBM-UHFFFAOYSA-N -2 3 399.310 2.128 20 0 GEADHL CC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736352173 598924379 /nfs/dbraw/zinc/92/43/79/598924379.db2.gz WYYLGSDJKBYSFA-ZDUSSCGKSA-N -2 3 377.470 2.278 20 0 GEADHL CC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736352173 598924381 /nfs/dbraw/zinc/92/43/81/598924381.db2.gz WYYLGSDJKBYSFA-ZDUSSCGKSA-N -2 3 377.470 2.278 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1ccc2ccccc2c1 ZINC000737298993 598976450 /nfs/dbraw/zinc/97/64/50/598976450.db2.gz NTUYWURZMQZZNL-UHFFFAOYSA-N -2 3 393.428 2.447 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1ccc2ccccc2c1 ZINC000737298993 598976453 /nfs/dbraw/zinc/97/64/53/598976453.db2.gz NTUYWURZMQZZNL-UHFFFAOYSA-N -2 3 393.428 2.447 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C[C@@H]1CCCC[C@H]1C ZINC000737298509 598976341 /nfs/dbraw/zinc/97/63/41/598976341.db2.gz LFSLXFMQUROTSF-YPMHNXCESA-N -2 3 377.470 2.196 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C[C@@H]1CCCC[C@H]1C ZINC000737298509 598976343 /nfs/dbraw/zinc/97/63/43/598976343.db2.gz LFSLXFMQUROTSF-YPMHNXCESA-N -2 3 377.470 2.196 20 0 GEADHL Cc1c2ccccc2oc1C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000737297554 598978408 /nfs/dbraw/zinc/97/84/08/598978408.db2.gz BNUVVPXOFVQFPD-UHFFFAOYSA-N -2 3 397.416 2.348 20 0 GEADHL Cc1c2ccccc2oc1C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000737297554 598978410 /nfs/dbraw/zinc/97/84/10/598978410.db2.gz BNUVVPXOFVQFPD-UHFFFAOYSA-N -2 3 397.416 2.348 20 0 GEADHL O=C([O-])CCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000485553164 597279371 /nfs/dbraw/zinc/27/93/71/597279371.db2.gz WFOYNHUWZYRCOV-UHFFFAOYSA-N -2 3 380.397 2.221 20 0 GEADHL C[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1F ZINC000735974417 598371976 /nfs/dbraw/zinc/37/19/76/598371976.db2.gz HEAYNIOMZKIAGU-NSHDSACASA-N -2 3 389.412 2.005 20 0 GEADHL C[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1F ZINC000735974417 598371978 /nfs/dbraw/zinc/37/19/78/598371978.db2.gz HEAYNIOMZKIAGU-NSHDSACASA-N -2 3 389.412 2.005 20 0 GEADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C1CCCCCC1 ZINC000738139047 598415050 /nfs/dbraw/zinc/41/50/50/598415050.db2.gz JYICGIIARZJAMT-UHFFFAOYSA-N -2 3 383.861 2.295 20 0 GEADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C1CCCCCC1 ZINC000738139047 598415052 /nfs/dbraw/zinc/41/50/52/598415052.db2.gz JYICGIIARZJAMT-UHFFFAOYSA-N -2 3 383.861 2.295 20 0 GEADHL O=C(CC1=CCCCC1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737806433 598415494 /nfs/dbraw/zinc/41/54/94/598415494.db2.gz HEWRKLRTOPDSJI-UHFFFAOYSA-N -2 3 381.845 2.216 20 0 GEADHL O=C(CC1=CCCCC1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737806433 598415495 /nfs/dbraw/zinc/41/54/95/598415495.db2.gz HEWRKLRTOPDSJI-UHFFFAOYSA-N -2 3 381.845 2.216 20 0 GEADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1OC(F)F)c1cccc(F)c1 ZINC000738345947 598548914 /nfs/dbraw/zinc/54/89/14/598548914.db2.gz SPUVZISRMBYGEX-UHFFFAOYSA-N -2 3 385.327 2.408 20 0 GEADHL C[C@H](NC(=O)CC1(C(=O)[O-])Cc2ccccc2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820323720 599299194 /nfs/dbraw/zinc/29/91/94/599299194.db2.gz YUEKHEITKMCZHW-ZDUSSCGKSA-N -2 3 391.431 2.304 20 0 GEADHL C[C@H](NC(=O)CC1(C(=O)[O-])Cc2ccccc2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820323720 599299196 /nfs/dbraw/zinc/29/91/96/599299196.db2.gz YUEKHEITKMCZHW-ZDUSSCGKSA-N -2 3 391.431 2.304 20 0 GEADHL O=S(=O)([N-]c1n[nH]c2ccccc12)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000738340479 599457229 /nfs/dbraw/zinc/45/72/29/599457229.db2.gz UWJVJZHGMKSGJI-UHFFFAOYSA-N -2 3 375.801 2.197 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000823285723 599620449 /nfs/dbraw/zinc/62/04/49/599620449.db2.gz ZSQBTXUBIYQPSJ-JKSUJKDBSA-N -2 3 389.481 2.029 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000823285723 599620450 /nfs/dbraw/zinc/62/04/50/599620450.db2.gz ZSQBTXUBIYQPSJ-JKSUJKDBSA-N -2 3 389.481 2.029 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccnc(OCc3ccccc3)c2)o1 ZINC000740177625 599771632 /nfs/dbraw/zinc/77/16/32/599771632.db2.gz OALHZKHSRQBKKD-UHFFFAOYSA-N -2 3 388.401 2.430 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C2(c3ccc4c(c3)OCCO4)CCCC2)o1 ZINC000565301521 599773774 /nfs/dbraw/zinc/77/37/74/599773774.db2.gz WQSCEXKSDGIVHB-UHFFFAOYSA-N -2 3 393.417 2.497 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)cc1Cl ZINC000270481436 599797170 /nfs/dbraw/zinc/79/71/70/599797170.db2.gz KTAJZOKOPSFZEE-UHFFFAOYSA-N -2 3 378.809 2.113 20 0 GEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000548202807 599979324 /nfs/dbraw/zinc/97/93/24/599979324.db2.gz NNTCYDWFBARWKF-CYBMUJFWSA-N -2 3 383.447 2.419 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](Cc2cccc(C)c2)C(=O)[O-])s1 ZINC000548221922 600096287 /nfs/dbraw/zinc/09/62/87/600096287.db2.gz GINOPGAJHLVGKV-CYBMUJFWSA-N -2 3 397.474 2.065 20 0 GEADHL CCN1CCN(c2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)cc2)CC1 ZINC000737122895 600103203 /nfs/dbraw/zinc/10/32/03/600103203.db2.gz NFKMSDLSJPTBNN-UHFFFAOYSA-N -2 3 395.506 2.389 20 0 GEADHL CCN1CCN(c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)cc2)CC1 ZINC000737122391 600103252 /nfs/dbraw/zinc/10/32/52/600103252.db2.gz JKPUNCQCMJEBRR-UHFFFAOYSA-N -2 3 395.506 2.389 20 0 GEADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1N1CCN(C)CC1 ZINC000738546206 600103550 /nfs/dbraw/zinc/10/35/50/600103550.db2.gz MTUQOAHQZBTWIH-UHFFFAOYSA-N -2 3 389.477 2.246 20 0 GEADHL CSCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000738189905 600238573 /nfs/dbraw/zinc/23/85/73/600238573.db2.gz CJRWHYOCQNCOAF-UHFFFAOYSA-N -2 3 386.264 2.318 20 0 GEADHL Cc1cc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)c(C(=O)[O-])[nH]1 ZINC000738449362 600256832 /nfs/dbraw/zinc/25/68/32/600256832.db2.gz ZQISRLXRYKOZTA-UHFFFAOYSA-N -2 3 397.428 2.490 20 0 GEADHL C[C@H]([N-]S(=O)(=O)c1csc(-c2cccc(Br)c2)n1)C(=O)[O-] ZINC000485228100 600413341 /nfs/dbraw/zinc/41/33/41/600413341.db2.gz PCAOTSMIIHHBBR-ZETCQYMHSA-N -2 3 391.268 2.324 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)N(C)C)ccc2C)cc1C(=O)[O-] ZINC000042793271 600542615 /nfs/dbraw/zinc/54/26/15/600542615.db2.gz FZWCZDUFWTYZDO-UHFFFAOYSA-N -2 3 392.433 2.204 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCOC3)cc2)cc1C(=O)[O-] ZINC000265701075 600545600 /nfs/dbraw/zinc/54/56/00/600545600.db2.gz DOELDSGQUMKOGC-AWEZNQCLSA-N -2 3 393.417 2.362 20 0 GEADHL O=C([O-])c1ccc(OCCOC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c(Cl)c1 ZINC000833322078 600664030 /nfs/dbraw/zinc/66/40/30/600664030.db2.gz DTKFMACDBCCSNE-UHFFFAOYSA-N -2 3 389.747 2.158 20 0 GEADHL Cc1ccc(N2CCOC2=O)cc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000832939616 600691768 /nfs/dbraw/zinc/69/17/68/600691768.db2.gz SDSCOKHKPBFSFP-UHFFFAOYSA-N -2 3 392.389 2.156 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1NS(C)(=O)=O ZINC000520397201 600812967 /nfs/dbraw/zinc/81/29/67/600812967.db2.gz SDNALECTXYBPET-UHFFFAOYSA-N -2 3 398.462 2.174 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccc[nH]2)c(F)cc1Br ZINC000833304920 600865419 /nfs/dbraw/zinc/86/54/19/600865419.db2.gz OGXBKTFIORXCNT-UHFFFAOYSA-N -2 3 377.191 2.093 20 0 GEADHL COc1cc(C(=O)[O-])cc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)c1OC ZINC000737851576 600873193 /nfs/dbraw/zinc/87/31/93/600873193.db2.gz ASOOOYYARXEDCG-UHFFFAOYSA-N -2 3 375.381 2.086 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2cc(S(C)(=O)=O)ccc2F)ccc1C(=O)[O-] ZINC000393111550 600887770 /nfs/dbraw/zinc/88/77/70/600887770.db2.gz JDDUHLWTDFHMPK-UHFFFAOYSA-N -2 3 387.410 2.037 20 0 GEADHL CNC(=O)CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000506625354 600892772 /nfs/dbraw/zinc/89/27/72/600892772.db2.gz SJXHXGCBKFCQCG-UHFFFAOYSA-N -2 3 392.433 2.009 20 0 GEADHL CCC(CC)(NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C(=O)[O-] ZINC000569617933 600925032 /nfs/dbraw/zinc/92/50/32/600925032.db2.gz WCBKBXOSVASWML-UHFFFAOYSA-N -2 3 397.428 2.328 20 0 GEADHL CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1cccs1 ZINC000830584843 600991130 /nfs/dbraw/zinc/99/11/30/600991130.db2.gz DEJPLXXCTSYJFA-SNVBAGLBSA-N -2 3 390.433 2.306 20 0 GEADHL C[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)N(C)c1ccccc1 ZINC000827508007 600994496 /nfs/dbraw/zinc/99/44/96/600994496.db2.gz SFEBVNUWXKOAMJ-NSHDSACASA-N -2 3 384.404 2.466 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Nc2c(F)cc(F)cc2Br)o1 ZINC000740177966 601050365 /nfs/dbraw/zinc/05/03/65/601050365.db2.gz XZXHNCKXXXNBTI-UHFFFAOYSA-N -2 3 397.153 2.324 20 0 GEADHL Cc1oc(S(=O)(=O)[N-]Cc2ccnc(OC3CCCC3)c2)cc1C(=O)[O-] ZINC000833027002 601216528 /nfs/dbraw/zinc/21/65/28/601216528.db2.gz MVLPQXSKIPDXDF-UHFFFAOYSA-N -2 3 380.422 2.481 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccc(F)cc2)oc1C ZINC000831343553 601218626 /nfs/dbraw/zinc/21/86/26/601218626.db2.gz KZKUMDDDBRAVAL-CYBMUJFWSA-N -2 3 385.369 2.008 20 0 GEADHL CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1ccsc1 ZINC000830585093 601230104 /nfs/dbraw/zinc/23/01/04/601230104.db2.gz OMBPHXBHXGWDIR-LLVKDONJSA-N -2 3 390.433 2.306 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2CCN(c3ccccc3)C2)c1F ZINC000833294862 601235376 /nfs/dbraw/zinc/23/53/76/601235376.db2.gz JFENKAQJMQUBEC-LLVKDONJSA-N -2 3 382.388 2.220 20 0 GEADHL CC(C)C[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(=O)OC(C)C ZINC000826909562 601236041 /nfs/dbraw/zinc/23/60/41/601236041.db2.gz DPPIUHXDELIGRS-NSHDSACASA-N -2 3 393.408 2.308 20 0 GEADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCCC2)c1F ZINC000831226197 601240515 /nfs/dbraw/zinc/24/05/15/601240515.db2.gz IBIRETZGPOENNF-UHFFFAOYSA-N -2 3 391.392 2.207 20 0 GEADHL C[C@H]1Oc2ccc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)cc2NC1=O ZINC000013032987 601320050 /nfs/dbraw/zinc/32/00/50/601320050.db2.gz GADSPOMWZLYWKZ-MRVPVSSYSA-N -2 3 380.353 2.044 20 0 GEADHL COC(=O)/C=C\c1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000831123738 601323246 /nfs/dbraw/zinc/32/32/46/601323246.db2.gz CNESFCDXHZTFIO-WCIBSUBMSA-N -2 3 391.401 2.137 20 0 GEADHL CCCCC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(=O)OC ZINC000829339111 601402995 /nfs/dbraw/zinc/40/29/95/601402995.db2.gz CYIJIHMSBUIKTD-SNVBAGLBSA-N -2 3 379.381 2.063 20 0 GEADHL CC[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC)C(=O)[O-] ZINC000035186300 601573167 /nfs/dbraw/zinc/57/31/67/601573167.db2.gz RAAWHSQLNKZCAS-QMMMGPOBSA-N -2 3 386.651 2.253 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)N(C)C)c2)cc1C(=O)[O-] ZINC000439559639 601785163 /nfs/dbraw/zinc/78/51/63/601785163.db2.gz AWULZBKBVIMKEM-UHFFFAOYSA-N -2 3 396.396 2.035 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)N(C)C)c2)ccc1C(=O)[O-] ZINC000507887086 601785255 /nfs/dbraw/zinc/78/52/55/601785255.db2.gz JFQOSHZDGAWSFH-UHFFFAOYSA-N -2 3 380.397 2.335 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)ccc1-n1cnnn1 ZINC000028260938 601827236 /nfs/dbraw/zinc/82/72/36/601827236.db2.gz OZCZPONJSMXIOA-UHFFFAOYSA-N -2 3 393.812 2.123 20 0 GEADHL COc1c(F)cc([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)cc1F ZINC000826167034 607533822 /nfs/dbraw/zinc/53/38/22/607533822.db2.gz MRWIPFDZAKMIOO-UHFFFAOYSA-N -2 3 381.364 2.263 20 0 GEADHL COc1c(F)cc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1F ZINC000826167034 607533824 /nfs/dbraw/zinc/53/38/24/607533824.db2.gz MRWIPFDZAKMIOO-UHFFFAOYSA-N -2 3 381.364 2.263 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)c1-c1nn[n-]n1 ZINC000826303884 607534213 /nfs/dbraw/zinc/53/42/13/607534213.db2.gz KNYXIYVBLQJZHG-UHFFFAOYSA-N -3 3 393.812 2.328 20 0 GEADHL O=C([O-])c1ccc(COC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)s1 ZINC000833110540 602007046 /nfs/dbraw/zinc/00/70/46/602007046.db2.gz SXBHZGGMJRCUBZ-UHFFFAOYSA-N -2 3 395.867 2.183 20 0 GEADHL Cc1nc(C)c(CCC(=O)N(C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c(=O)[n-]1 ZINC000832995454 602009717 /nfs/dbraw/zinc/00/97/17/602009717.db2.gz ZVXXVHQOUFGLPG-INIZCTEOSA-N -2 3 397.353 2.433 20 0 GEADHL CCC[C@@](C)(NC(=O)[O-])C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000739300426 602133701 /nfs/dbraw/zinc/13/37/01/602133701.db2.gz IHEHVOIILFGFBW-MRXNPFEDSA-N -2 3 387.458 2.222 20 0 GEADHL CC(C)CCOCC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000055329841 602149144 /nfs/dbraw/zinc/14/91/44/602149144.db2.gz PYWVOMYAQCPGTO-UHFFFAOYSA-N -2 3 384.248 2.081 20 0 GEADHL O=C([O-])c1ccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1F ZINC000833320387 602377894 /nfs/dbraw/zinc/37/78/94/602377894.db2.gz UKMOCTKTVMOHKS-UHFFFAOYSA-N -2 3 387.367 2.219 20 0 GEADHL CC(C)c1ccc([C@H](CNC(=O)CNC(=O)c2ccc([O-])cc2)NC(=O)[O-])cc1 ZINC000738876767 602407156 /nfs/dbraw/zinc/40/71/56/602407156.db2.gz LCXFQZCNGVRSAQ-SFHVURJKSA-N -2 3 399.447 2.371 20 0 GEADHL CC(C)C[C@@H](CNC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000738812207 602567648 /nfs/dbraw/zinc/56/76/48/602567648.db2.gz PSYSKSJTPQMQIG-QMMMGPOBSA-N -2 3 385.305 2.471 20 0 GEADHL O=C([O-])Nc1ccc([N-]S(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)cc1 ZINC000740712819 602645711 /nfs/dbraw/zinc/64/57/11/602645711.db2.gz AEAQWWPBIIDTPQ-UHFFFAOYSA-N -3 3 394.361 2.047 20 0 GEADHL CN(C)S(=O)(=O)c1ccsc1C(=O)[N-]c1cc(NC(=O)[O-])ccc1F ZINC000739614168 602783872 /nfs/dbraw/zinc/78/38/72/602783872.db2.gz KCKPBWASJLPNFS-UHFFFAOYSA-N -2 3 387.414 2.480 20 0 GEADHL C[C@@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823702559 602886713 /nfs/dbraw/zinc/88/67/13/602886713.db2.gz KPVSWUUKYYWBJJ-WBMJQRKESA-N -2 3 380.408 2.128 20 0 GEADHL C[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823702559 602886716 /nfs/dbraw/zinc/88/67/16/602886716.db2.gz KPVSWUUKYYWBJJ-WBMJQRKESA-N -2 3 380.408 2.128 20 0 GEADHL O=C([O-])NC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000832513866 603137802 /nfs/dbraw/zinc/13/78/02/603137802.db2.gz KVGMLGFDMVGCFJ-IUCAKERBSA-N -2 3 382.269 2.493 20 0 GEADHL O=C([O-])N[C@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1 ZINC000740533593 603307477 /nfs/dbraw/zinc/30/74/77/603307477.db2.gz QUDCEJAIOURNBO-AWEZNQCLSA-N -2 3 386.799 2.145 20 0 GEADHL O=C([O-])N[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000740533593 603307482 /nfs/dbraw/zinc/30/74/82/603307482.db2.gz QUDCEJAIOURNBO-AWEZNQCLSA-N -2 3 386.799 2.145 20 0 GEADHL C[C@H](NC(=O)[O-])c1ccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)cc1 ZINC000825434922 603382850 /nfs/dbraw/zinc/38/28/50/603382850.db2.gz YSYOTHMSVMDLGN-LBPRGKRZSA-N -2 3 386.408 2.272 20 0 GEADHL Cc1ncc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)s1 ZINC000826330054 607683805 /nfs/dbraw/zinc/68/38/05/607683805.db2.gz CXNCDEUFQHIXPF-UHFFFAOYSA-N -2 3 390.372 2.451 20 0 GEADHL Cc1ncc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)s1 ZINC000826330054 607683806 /nfs/dbraw/zinc/68/38/06/607683806.db2.gz CXNCDEUFQHIXPF-UHFFFAOYSA-N -2 3 390.372 2.451 20 0 GEADHL O=C([O-])c1csc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000833110021 604317684 /nfs/dbraw/zinc/31/76/84/604317684.db2.gz JCZMQRUYOADQCY-UHFFFAOYSA-N -2 3 380.856 2.078 20 0 GEADHL Cc1oc(S(=O)(=O)[N-]C(C)(C)C(=O)NCC2CCCCC2)cc1C(=O)[O-] ZINC000833028397 604420199 /nfs/dbraw/zinc/42/01/99/604420199.db2.gz NHBDPOGWFNMPRU-UHFFFAOYSA-N -2 3 386.470 2.040 20 0 GEADHL O=C([O-])c1ccc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000833145120 604424905 /nfs/dbraw/zinc/42/49/05/604424905.db2.gz DPMQKWWMSDGXMF-UHFFFAOYSA-N -2 3 393.193 2.108 20 0 GEADHL CN1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)[C@H]1c1ccc(Cl)cc1 ZINC000833697134 604908943 /nfs/dbraw/zinc/90/89/43/604908943.db2.gz DAPGKPLMZBNRHF-DZGCQCFKSA-N -2 3 384.841 2.355 20 0 GEADHL Cc1ccc(-c2nc(CC[N-]S(=O)(=O)c3csnc3C(=O)[O-])co2)cc1 ZINC000833746529 605024426 /nfs/dbraw/zinc/02/44/26/605024426.db2.gz JGEFTXZQUNKVDF-UHFFFAOYSA-N -2 3 393.446 2.326 20 0 GEADHL CCC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)[O-])c1ccccn1 ZINC000833649591 605025723 /nfs/dbraw/zinc/02/57/23/605025723.db2.gz XWSGRXGSJWHEBM-LLVKDONJSA-N -2 3 398.462 2.448 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCCOCC2)c(F)cc1Br ZINC000833780642 605146817 /nfs/dbraw/zinc/14/68/17/605146817.db2.gz ZCWUGXQSUQDTGI-QMMMGPOBSA-N -2 3 396.234 2.134 20 0 GEADHL CC(C)(O)C(C)(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000833464208 605208706 /nfs/dbraw/zinc/20/87/06/605208706.db2.gz TZVXCXZPCQSROO-UHFFFAOYSA-N -2 3 398.250 2.114 20 0 GEADHL O=C([O-])N(CC[N-]S(=O)(=O)c1cc(F)ccc1Br)C1CC1 ZINC000831830207 605496294 /nfs/dbraw/zinc/49/62/94/605496294.db2.gz GQVUOYTVCSBWGE-UHFFFAOYSA-N -2 3 381.223 2.009 20 0 GEADHL Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H](NC(=O)[O-])C2CC2)s1 ZINC000833898406 605806748 /nfs/dbraw/zinc/80/67/48/605806748.db2.gz UBGVUZOEGZSQPJ-VIFPVBQESA-N -2 3 383.289 2.144 20 0 GEADHL O=C([O-])NCc1nc(C(=O)[N-]c2n[nH]c(Cc3cccc(F)c3)n2)cs1 ZINC000834249040 605881396 /nfs/dbraw/zinc/88/13/96/605881396.db2.gz MYMNPIDWZUMEAR-UHFFFAOYSA-N -2 3 376.373 2.011 20 0 GEADHL C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C1CCCC1 ZINC000819867575 606178184 /nfs/dbraw/zinc/17/81/84/606178184.db2.gz UCZYIIJQTVRZET-VIFPVBQESA-N -2 3 383.861 2.151 20 0 GEADHL C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C1CCCC1 ZINC000819867575 606178185 /nfs/dbraw/zinc/17/81/85/606178185.db2.gz UCZYIIJQTVRZET-VIFPVBQESA-N -2 3 383.861 2.151 20 0 GEADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1sc(C)nc1C ZINC000821417616 606209094 /nfs/dbraw/zinc/20/90/94/606209094.db2.gz PSXJRMVMVCHXSR-UHFFFAOYSA-N -2 3 380.455 2.140 20 0 GEADHL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000821476874 606210241 /nfs/dbraw/zinc/21/02/41/606210241.db2.gz SFDWAKSNWSBLOD-UHFFFAOYSA-N -3 3 391.384 2.067 20 0 GEADHL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000821476874 606210242 /nfs/dbraw/zinc/21/02/42/606210242.db2.gz SFDWAKSNWSBLOD-UHFFFAOYSA-N -3 3 391.384 2.067 20 0 GEADHL O=S(=O)([N-]c1ccc(OCC(F)F)cc1)c1ccccc1-c1nn[n-]n1 ZINC000823589263 606332183 /nfs/dbraw/zinc/33/21/83/606332183.db2.gz WGPSZUPCYLPCEB-UHFFFAOYSA-N -2 3 381.364 2.311 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)nc1 ZINC000822259034 606357365 /nfs/dbraw/zinc/35/73/65/606357365.db2.gz KDSMQBHWWVVYQJ-UHFFFAOYSA-N -2 3 384.343 2.390 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)nc1 ZINC000822259034 606357367 /nfs/dbraw/zinc/35/73/67/606357367.db2.gz KDSMQBHWWVVYQJ-UHFFFAOYSA-N -2 3 384.343 2.390 20 0 GEADHL CC(C)(C)n1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc(F)cc2Cl)n1 ZINC000819971648 606605966 /nfs/dbraw/zinc/60/59/66/606605966.db2.gz PTRFESOJVFREFP-UHFFFAOYSA-N -2 3 399.839 2.412 20 0 GEADHL CSc1ccncc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000821989475 606637980 /nfs/dbraw/zinc/63/79/80/606637980.db2.gz LRXLIJAJNSLEGI-UHFFFAOYSA-N -2 3 382.858 2.438 20 0 GEADHL CSc1ccncc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000821989475 606637981 /nfs/dbraw/zinc/63/79/81/606637981.db2.gz LRXLIJAJNSLEGI-UHFFFAOYSA-N -2 3 382.858 2.438 20 0 GEADHL Cc1cc(F)c(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nnn[n-]2)cc1F ZINC000822203344 606820798 /nfs/dbraw/zinc/82/07/98/606820798.db2.gz PIXWTHCTFPSAMK-UHFFFAOYSA-N -2 3 397.411 2.206 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C1(CC(C)C)CCC1 ZINC000822222851 606839637 /nfs/dbraw/zinc/83/96/37/606839637.db2.gz VTPREUSCINRQFN-UHFFFAOYSA-N -2 3 377.470 2.196 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C1(CC(C)C)CCC1 ZINC000822222851 606839638 /nfs/dbraw/zinc/83/96/38/606839638.db2.gz VTPREUSCINRQFN-UHFFFAOYSA-N -2 3 377.470 2.196 20 0 GEADHL CCOc1cc(F)ccc1[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821400624 606866024 /nfs/dbraw/zinc/86/60/24/606866024.db2.gz MPZFFCIQNHLCOX-UHFFFAOYSA-N -2 3 399.354 2.484 20 0 GEADHL CCOc1cc(F)ccc1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821400624 606866026 /nfs/dbraw/zinc/86/60/26/606866026.db2.gz MPZFFCIQNHLCOX-UHFFFAOYSA-N -2 3 399.354 2.484 20 0 GEADHL O=S(=O)([N-]Cc1cc2ccccc2o1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823577883 606887311 /nfs/dbraw/zinc/88/73/11/606887311.db2.gz CEMMWLDLHMRBSO-UHFFFAOYSA-N -2 3 391.359 2.370 20 0 GEADHL O=S(=O)([N-]Cc1coc2ccccc12)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823578261 606892704 /nfs/dbraw/zinc/89/27/04/606892704.db2.gz KNFRENLBPZDUSH-UHFFFAOYSA-N -2 3 391.359 2.370 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)ccc1OC(C)C ZINC000822211988 607026723 /nfs/dbraw/zinc/02/67/23/607026723.db2.gz XHHPGDUNOQFKPZ-UHFFFAOYSA-N -2 3 380.455 2.220 20 0 GEADHL Cc1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)ccc1Cl ZINC000822176216 607095767 /nfs/dbraw/zinc/09/57/67/607095767.db2.gz HFWSLARPASXWJI-UHFFFAOYSA-N -2 3 391.840 2.088 20 0 GEADHL Cc1cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)ccc1Cl ZINC000822176216 607095769 /nfs/dbraw/zinc/09/57/69/607095769.db2.gz HFWSLARPASXWJI-UHFFFAOYSA-N -2 3 391.840 2.088 20 0 GEADHL CC[C@](NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)(C(=O)[O-])c1ccccc1 ZINC000820913967 607104199 /nfs/dbraw/zinc/10/41/99/607104199.db2.gz LVMYKGIDSAXUEM-RNODOKPDSA-N -2 3 395.419 2.140 20 0 GEADHL CC[C@](NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)(C(=O)[O-])c1ccccc1 ZINC000820913967 607104200 /nfs/dbraw/zinc/10/42/00/607104200.db2.gz LVMYKGIDSAXUEM-RNODOKPDSA-N -2 3 395.419 2.140 20 0 GEADHL CCOC(=O)c1sc2[n-]c([C@H](C)Sc3n[nH]c(=O)[n-]3)nc(=O)c2c1C ZINC000446082330 649970869 /nfs/dbraw/zinc/97/08/69/649970869.db2.gz XTPIKKLAISWTQJ-LURJTMIESA-N -2 3 381.439 2.147 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)n[nH]c1C1CC1 ZINC000822020952 607152667 /nfs/dbraw/zinc/15/26/67/607152667.db2.gz OWBQTYPHSNYMGH-UHFFFAOYSA-N -2 3 379.833 2.230 20 0 GEADHL CC(C)n1ncc2cc(S(=O)(=O)[N-]c3cc(-c4nn[n-]n4)ccc3O)ccc21 ZINC000820215074 607171856 /nfs/dbraw/zinc/17/18/56/607171856.db2.gz RYBQPCGDDKWSDE-UHFFFAOYSA-N -2 3 399.436 2.304 20 0 GEADHL CCc1c([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cnn1CC(C)C ZINC000825693922 607933469 /nfs/dbraw/zinc/93/34/69/607933469.db2.gz HUCCJSAHPDIYHU-UHFFFAOYSA-N -2 3 375.458 2.082 20 0 GEADHL CCc1c([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cnn1CC(C)C ZINC000825693922 607933470 /nfs/dbraw/zinc/93/34/70/607933470.db2.gz HUCCJSAHPDIYHU-UHFFFAOYSA-N -2 3 375.458 2.082 20 0 GEADHL O=C(c1c([O-])cc(F)cc1F)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826469274 608085649 /nfs/dbraw/zinc/08/56/49/608085649.db2.gz ZSPFYEISSNNTCH-HNNXBMFYSA-N -2 3 387.346 2.064 20 0 GEADHL O=C(c1c([O-])cc(F)cc1F)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826469274 608085650 /nfs/dbraw/zinc/08/56/50/608085650.db2.gz ZSPFYEISSNNTCH-HNNXBMFYSA-N -2 3 387.346 2.064 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cccc(OCC(F)F)n1 ZINC000826255564 608110942 /nfs/dbraw/zinc/11/09/42/608110942.db2.gz CFPRLFMHTKRBLQ-UHFFFAOYSA-N -2 3 396.379 2.015 20 0 GEADHL CC[C@@H](C)CCCCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000825059013 608141079 /nfs/dbraw/zinc/14/10/79/608141079.db2.gz BGVTUJXXIJMZAL-CYBMUJFWSA-N -2 3 379.486 2.419 20 0 GEADHL CC[C@@H](C)CCCCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000825059013 608141080 /nfs/dbraw/zinc/14/10/80/608141080.db2.gz BGVTUJXXIJMZAL-CYBMUJFWSA-N -2 3 379.486 2.419 20 0 GEADHL CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000825075281 608144567 /nfs/dbraw/zinc/14/45/67/608144567.db2.gz ODPMOORHAVIRAH-GFCCVEGCSA-N -2 3 385.449 2.392 20 0 GEADHL CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000825075281 608144568 /nfs/dbraw/zinc/14/45/68/608144568.db2.gz ODPMOORHAVIRAH-GFCCVEGCSA-N -2 3 385.449 2.392 20 0 GEADHL Cc1nc(Br)ccc1[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000826323137 608294876 /nfs/dbraw/zinc/29/48/76/608294876.db2.gz RMRVMLYXCZBSEY-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL Cc1nc(Br)ccc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826323137 608294878 /nfs/dbraw/zinc/29/48/78/608294878.db2.gz RMRVMLYXCZBSEY-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cn(C)nc1-c1ccccc1 ZINC000826256004 608308590 /nfs/dbraw/zinc/30/85/90/608308590.db2.gz RFFYLYCPQBTITC-UHFFFAOYSA-N -2 3 395.448 2.376 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cn(C)nc1-c1ccccc1 ZINC000826256004 608308591 /nfs/dbraw/zinc/30/85/91/608308591.db2.gz RFFYLYCPQBTITC-UHFFFAOYSA-N -2 3 395.448 2.376 20 0 GEADHL CCOC(=O)c1cnc(C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c(C(=O)[O-])c1 ZINC000825565047 608386535 /nfs/dbraw/zinc/38/65/35/608386535.db2.gz KRJMMNRMFCIJLF-GQCTYLIASA-N -2 3 383.339 2.446 20 0 GEADHL CCOC(=O)c1cnc(C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c(C(=O)[O-])c1 ZINC000825565047 608386536 /nfs/dbraw/zinc/38/65/36/608386536.db2.gz KRJMMNRMFCIJLF-GQCTYLIASA-N -2 3 383.339 2.446 20 0 GEADHL CC[C@H](C)n1nc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1C ZINC000825081208 608581916 /nfs/dbraw/zinc/58/19/16/608581916.db2.gz HKJZTVVPJRLZKQ-QMMMGPOBSA-N -2 3 397.411 2.422 20 0 GEADHL CC[C@H](C)n1nc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1C ZINC000825081208 608581918 /nfs/dbraw/zinc/58/19/18/608581918.db2.gz HKJZTVVPJRLZKQ-QMMMGPOBSA-N -2 3 397.411 2.422 20 0 GEADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC(C)(C)C1 ZINC000824864351 609142311 /nfs/dbraw/zinc/14/23/11/609142311.db2.gz AORVSLHSKHJODI-IUODEOHRSA-N -2 3 391.497 2.275 20 0 GEADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC(C)(C)C1 ZINC000824864351 609142313 /nfs/dbraw/zinc/14/23/13/609142313.db2.gz AORVSLHSKHJODI-IUODEOHRSA-N -2 3 391.497 2.275 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)cccc1-c1nn[n-]n1 ZINC000826242967 609455365 /nfs/dbraw/zinc/45/53/65/609455365.db2.gz NYFYBUWZSZAUKS-UHFFFAOYSA-N -2 3 384.343 2.390 20 0 GEADHL COCCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccccc1C ZINC000826162870 609469340 /nfs/dbraw/zinc/46/93/40/609469340.db2.gz VXBVHCQNKYYYDZ-UHFFFAOYSA-N -2 3 389.437 2.001 20 0 GEADHL CC[C@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)c1nccs1 ZINC000524123069 650638686 /nfs/dbraw/zinc/63/86/86/650638686.db2.gz KGZWLUIEEFKFFH-NSHDSACASA-N -2 3 393.487 2.083 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cc(C)ccc2O)cc1F ZINC000498020353 650845663 /nfs/dbraw/zinc/84/56/63/650845663.db2.gz JEPUROFEVXKUHP-UHFFFAOYSA-N -2 3 388.442 2.402 20 0 GEADHL O=C([N-]NC(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccccc1Br ZINC000156935625 644125267 /nfs/dbraw/zinc/12/52/67/644125267.db2.gz QUXCSLNGFKVTFW-UHFFFAOYSA-N -2 3 380.154 2.138 20 0 GEADHL Cc1cc(S(=O)(=O)[N-][N-]C(=O)c2cc(F)ccc2Br)c(C)o1 ZINC000182796295 644971769 /nfs/dbraw/zinc/97/17/69/644971769.db2.gz BSUZOKRUZJTVGH-UHFFFAOYSA-N -2 3 391.218 2.421 20 0 GEADHL Cc1ccc(Br)cc1S(=O)(=O)[N-][N-]C(=O)NCc1ccccc1 ZINC000189125764 645133468 /nfs/dbraw/zinc/13/34/68/645133468.db2.gz OIYYCPBLWQNJCU-UHFFFAOYSA-N -2 3 398.282 2.450 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC000262236769 645621230 /nfs/dbraw/zinc/62/12/30/645621230.db2.gz VXDGOBGYMWEBTK-DTWKUNHWSA-N -2 3 380.344 2.126 20 0 GEADHL Cc1cc(OC(F)F)c(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)s1 ZINC000265105997 645742777 /nfs/dbraw/zinc/74/27/77/645742777.db2.gz IVSWZGJTEISXGD-UHFFFAOYSA-N -2 3 384.411 2.133 20 0 GEADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)Oc1ccc(F)cc1 ZINC000547894969 651052208 /nfs/dbraw/zinc/05/22/08/651052208.db2.gz NUJAXDLYXVHXSP-ZDUSSCGKSA-N -2 3 391.779 2.429 20 0 GEADHL Cc1nc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)sc1C ZINC000269371236 646031963 /nfs/dbraw/zinc/03/19/63/646031963.db2.gz SAIHYZOLJWRLKW-UHFFFAOYSA-N -2 3 379.460 2.071 20 0 GEADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]C[C@@H]2CCSC2)s1 ZINC000280722009 646709662 /nfs/dbraw/zinc/70/96/62/646709662.db2.gz UNNFQWPOIZJVIR-LURJTMIESA-N -2 3 386.314 2.240 20 0 GEADHL C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000548261333 651073997 /nfs/dbraw/zinc/07/39/97/651073997.db2.gz BLGNLKRNLPTGNI-ZJUUUORDSA-N -2 3 379.276 2.402 20 0 GEADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@](C)(CC(=O)[O-])C(=O)[O-])c1Cl ZINC000548266880 651074893 /nfs/dbraw/zinc/07/48/93/651074893.db2.gz KBXNDAGEZKUORM-CYBMUJFWSA-N -3 3 384.237 2.146 20 0 GEADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000548526727 651079179 /nfs/dbraw/zinc/07/91/79/651079179.db2.gz UKXBHKKJLUBULY-LLVKDONJSA-N -2 3 389.227 2.158 20 0 GEADHL COc1cccc([C@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)C(=O)[O-])c1 ZINC000548539229 651079504 /nfs/dbraw/zinc/07/95/04/651079504.db2.gz UBOHVCDXPFIJIF-AWEZNQCLSA-N -2 3 375.324 2.217 20 0 GEADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H](CC1CC1)C(=O)[O-] ZINC000551997056 651136889 /nfs/dbraw/zinc/13/68/89/651136889.db2.gz JRKWOFGDRMOTAN-JTQLQIEISA-N -2 3 396.234 2.128 20 0 GEADHL CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cccc(F)c1C(=O)OC)C(=O)[O-] ZINC000555456659 651226234 /nfs/dbraw/zinc/22/62/34/651226234.db2.gz TVZRVBSSZVJRGS-JQWIXIFHSA-N -2 3 375.418 2.170 20 0 GEADHL Cc1cc(S(=O)(=O)[N-][C@H]2C=C[C@H](C(=O)[O-])C2)c(F)cc1Br ZINC000556890262 651256349 /nfs/dbraw/zinc/25/63/49/651256349.db2.gz ZRQANOVSHAKXMB-IUCAKERBSA-N -2 3 378.219 2.204 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cccc(C)c2)s1 ZINC000603973647 651506334 /nfs/dbraw/zinc/50/63/34/651506334.db2.gz XJUAWLBSEKUQBB-GFCCVEGCSA-N -2 3 383.447 2.337 20 0 GEADHL COc1ccc2c(c1)CCC[C@H]2C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000570678588 651783250 /nfs/dbraw/zinc/78/32/50/651783250.db2.gz ANVMJPKJRYOIJZ-NSHDSACASA-N -2 3 382.463 2.248 20 0 GEADHL C[C@@H](C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000570798226 651792408 /nfs/dbraw/zinc/79/24/08/651792408.db2.gz VNWIHIAOHYVNLW-QMMMGPOBSA-N -2 3 377.344 2.209 20 0 GEADHL Cc1ccc([C@H]2OCCC[C@H]2[N-]S(=O)(=O)c2scnc2C(=O)[O-])cc1 ZINC000571438259 651832490 /nfs/dbraw/zinc/83/24/90/651832490.db2.gz CHLMMJWWZMIJPP-TZMCWYRMSA-N -2 3 382.463 2.348 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cc(C)cnc2C)cc1F ZINC000650490212 651860742 /nfs/dbraw/zinc/86/07/42/651860742.db2.gz MDVMQUNGOGGFEW-UHFFFAOYSA-N -2 3 387.458 2.400 20 0 GEADHL CCc1ccncc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)CC)c(F)c1 ZINC000650492206 651861378 /nfs/dbraw/zinc/86/13/78/651861378.db2.gz BDIFMKCCEGMKTM-UHFFFAOYSA-N -2 3 387.458 2.346 20 0 GEADHL O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cccc(I)c1[O-] ZINC000755124711 652457568 /nfs/dbraw/zinc/45/75/68/652457568.db2.gz MGLWHWFZSHOBSD-UHFFFAOYSA-N -2 3 398.082 2.386 20 0 GEADHL O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cccc(I)c1[O-] ZINC000755124711 652457573 /nfs/dbraw/zinc/45/75/73/652457573.db2.gz MGLWHWFZSHOBSD-UHFFFAOYSA-N -2 3 398.082 2.386 20 0 GEADHL O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cccc(I)c1[O-] ZINC000755124711 652457577 /nfs/dbraw/zinc/45/75/77/652457577.db2.gz MGLWHWFZSHOBSD-UHFFFAOYSA-N -2 3 398.082 2.386 20 0 GEADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)COc2c(F)cccc2F)oc1C(=O)[O-] ZINC000663427468 652498976 /nfs/dbraw/zinc/49/89/76/652498976.db2.gz IMBUDWRJEKWEBM-VIFPVBQESA-N -2 3 375.349 2.310 20 0 GEADHL O=C([N-][C@@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1)C(F)(F)c1nccs1 ZINC000757599563 652518948 /nfs/dbraw/zinc/51/89/48/652518948.db2.gz UIDXIIAVNASNSW-SECBINFHSA-N -2 3 388.762 2.446 20 0 GEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(Br)s2)c[n-]1 ZINC000585730856 652534988 /nfs/dbraw/zinc/53/49/88/652534988.db2.gz IMTBDCJAQPLVOJ-UHFFFAOYSA-N -2 3 380.245 2.211 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cccs2)c(F)c1 ZINC000589061997 652558714 /nfs/dbraw/zinc/55/87/14/652558714.db2.gz GICVOAFTXWGMBE-NSHDSACASA-N -2 3 387.410 2.168 20 0 GEADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-]CCCCCCC(=O)[O-])c1F ZINC000760104906 652595550 /nfs/dbraw/zinc/59/55/50/652595550.db2.gz PPJQEPWNNMIOFY-UHFFFAOYSA-N -2 3 379.381 2.065 20 0 GEADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]CCOc2cccnc2)c1 ZINC000761287608 652641232 /nfs/dbraw/zinc/64/12/32/652641232.db2.gz KVTJZKSJNWNBHU-UHFFFAOYSA-N -2 3 391.232 2.444 20 0 GEADHL COC(C)(C)CS(=O)(=O)[N-]c1cc(Br)cc(CC(=O)[O-])c1 ZINC000634797232 652667805 /nfs/dbraw/zinc/66/78/05/652667805.db2.gz WYKJJFRCIBZVQJ-UHFFFAOYSA-N -2 3 380.260 2.243 20 0 GEADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]N=c2nc[nH]c3ccsc32)c1F ZINC000765135230 652826331 /nfs/dbraw/zinc/82/63/31/652826331.db2.gz GEQLGTAXGPYPQP-UHFFFAOYSA-N -2 3 382.398 2.142 20 0 GEADHL CC(C)(CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000672890527 652849467 /nfs/dbraw/zinc/84/94/67/652849467.db2.gz RVUNNJMEXOXNFH-UHFFFAOYSA-N -2 3 392.396 2.207 20 0 GEADHL O=S(=O)([N-]c1cccc([O-])c1Br)c1cnn([C@H]2CCOC2)c1 ZINC000641693940 653230853 /nfs/dbraw/zinc/23/08/53/653230853.db2.gz ZFVAFNSLAYZGIR-VIFPVBQESA-N -2 3 388.243 2.113 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@@H](O)c1ccccc1 ZINC000776599855 653363245 /nfs/dbraw/zinc/36/32/45/653363245.db2.gz RBCQRFIGFXQECP-STQMWFEESA-N -2 3 390.244 2.459 20 0 GEADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-]CCC[C@H](C)C(=O)[O-] ZINC000776623283 653365866 /nfs/dbraw/zinc/36/58/66/653365866.db2.gz MKEBZPFEEQGBTQ-QMMMGPOBSA-N -2 3 398.250 2.376 20 0 GEADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-]C[C@@H](C)CCC(=O)[O-] ZINC000776633108 653366769 /nfs/dbraw/zinc/36/67/69/653366769.db2.gz LZZVDASGBHFSEF-QMMMGPOBSA-N -2 3 398.250 2.376 20 0 GEADHL Cc1c(Cl)nccc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000811835943 653409443 /nfs/dbraw/zinc/40/94/43/653409443.db2.gz WFFVOXMORJBWLD-UHFFFAOYSA-N -2 3 393.849 2.355 20 0 GEADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000837288662 653419559 /nfs/dbraw/zinc/41/95/59/653419559.db2.gz CWDPCWDARYYNFH-ZETCQYMHSA-N -2 3 385.667 2.277 20 0 GEADHL CCc1noc(C)c1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(OC)cc1Cl ZINC000840890202 653697677 /nfs/dbraw/zinc/69/76/77/653697677.db2.gz LGYGCGVXMFDURS-UHFFFAOYSA-N -2 3 388.829 2.384 20 0 GEADHL CC1(C)C[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CCO1 ZINC000840897416 653699551 /nfs/dbraw/zinc/69/95/51/653699551.db2.gz PBYRHHYMXDKIAG-QMMMGPOBSA-N -2 3 396.259 2.224 20 0 GEADHL CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)CCO1 ZINC000817573792 653714665 /nfs/dbraw/zinc/71/46/65/653714665.db2.gz RCUFDSPLKXBSSS-YUMQZZPRSA-N -2 3 398.300 2.445 20 0 GEADHL O=C([O-])c1ccc([N-]S(=O)(=O)N=S2(=O)CCCC2)cc1C(F)(F)F ZINC000821192414 653792578 /nfs/dbraw/zinc/79/25/78/653792578.db2.gz UMKYYFQETIIBIN-UHFFFAOYSA-N -2 3 386.373 2.322 20 0 GEADHL CN1CCCC(C)(C)[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000790667257 653795537 /nfs/dbraw/zinc/79/55/37/653795537.db2.gz ZTBJSMBDBRVESP-AWEZNQCLSA-N -2 3 376.425 2.062 20 0 GEADHL COC(=O)c1sc(S(=O)(=O)[N-]C[C@@H](CC2CC2)C(=O)[O-])c(C)c1Cl ZINC000844821191 653820458 /nfs/dbraw/zinc/82/04/58/653820458.db2.gz LXPQJELEAWYXSL-SECBINFHSA-N -2 3 395.886 2.276 20 0 GEADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](C[C@@H](C)CC)C(=O)[O-])c1 ZINC000794762972 653919167 /nfs/dbraw/zinc/91/91/67/653919167.db2.gz XPOUEIQZMDZNAZ-GWCFXTLKSA-N -2 3 375.418 2.170 20 0 GEADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]Cc2cccnc2F)s1 ZINC000794917186 653924255 /nfs/dbraw/zinc/92/42/55/653924255.db2.gz FWGRWPRTKIDHCS-UHFFFAOYSA-N -2 3 395.231 2.221 20 0 GEADHL Cc1ccsc1CC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826316013 653949290 /nfs/dbraw/zinc/94/92/90/653949290.db2.gz ARSVHVGTKZTNSK-UHFFFAOYSA-N -2 3 385.421 2.036 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCC(F)(F)C2)c(Br)o1 ZINC000797406718 654030128 /nfs/dbraw/zinc/03/01/28/654030128.db2.gz IYERVUYRAPWURX-ZCFIWIBFSA-N -2 3 388.186 2.454 20 0 GEADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCOC[C@H]2CC(=O)[O-])c1Cl ZINC000899949947 654041140 /nfs/dbraw/zinc/04/11/40/654041140.db2.gz MDRZHAXRHHJKOX-MWLCHTKSSA-N -2 3 382.265 2.460 20 0 GEADHL COCCC(C)(C)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000871906822 654275809 /nfs/dbraw/zinc/27/58/09/654275809.db2.gz PHAZHALOYNPRRI-UHFFFAOYSA-N -2 3 386.289 2.302 20 0 GEADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@@H]1CC=C(C(=O)[O-])C1 ZINC000853070127 654276042 /nfs/dbraw/zinc/27/60/42/654276042.db2.gz VJGAQMDRLKODSE-SECBINFHSA-N -2 3 394.218 2.049 20 0 GEADHL CC1([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)CCOCC1 ZINC000871924883 654280514 /nfs/dbraw/zinc/28/05/14/654280514.db2.gz RYEUZGFHXUQERL-UHFFFAOYSA-N -2 3 384.273 2.056 20 0 GEADHL CC[C@@H]([N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br)[C@H]1CCCO1 ZINC000871927056 654281320 /nfs/dbraw/zinc/28/13/20/654281320.db2.gz ORRBMIQGYBWDJR-RKDXNWHRSA-N -2 3 398.300 2.445 20 0 GEADHL CC1(C)OCC[C@H]1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000871968182 654294954 /nfs/dbraw/zinc/29/49/54/654294954.db2.gz HJKFHWPWPCJOEX-MRVPVSSYSA-N -2 3 384.273 2.055 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@]23OCCC[C@H]2C3(F)F)cc(F)c1Cl ZINC000871984363 654301147 /nfs/dbraw/zinc/30/11/47/654301147.db2.gz WJKRHGUNQHMEEZ-MFKMUULPSA-N -2 3 399.774 2.270 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](SCC(=O)[O-])C(F)(F)F)sc1C ZINC000871999539 654306566 /nfs/dbraw/zinc/30/65/66/654306566.db2.gz PTRYTIOCZRKSIK-MRVPVSSYSA-N -2 3 377.431 2.392 20 0 GEADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-][C@H]2CO[C@@H](C3CC3)C2)s1 ZINC000872001122 654308064 /nfs/dbraw/zinc/30/80/64/654308064.db2.gz VIXKZOFMBOVEQS-VXNVDRBHSA-N -2 3 396.284 2.055 20 0 GEADHL Cc1cc(S(=O)(=O)[N-][C@@H](C[C@@H]2CCCO2)C(=O)[O-])sc1Br ZINC000905999167 654398066 /nfs/dbraw/zinc/39/80/66/654398066.db2.gz BYVGGWJEPRBOQY-IUCAKERBSA-N -2 3 398.300 2.120 20 0 GEADHL O=C([O-])[C@@H]1CC=C[C@@H]([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1 ZINC000906000713 654398298 /nfs/dbraw/zinc/39/82/98/654398298.db2.gz NLTIISHQABVADK-RKDXNWHRSA-N -2 3 383.319 2.422 20 0 GEADHL C[C@@]1(C(=O)[O-])C[C@@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCO1 ZINC000906011381 654402129 /nfs/dbraw/zinc/40/21/29/654402129.db2.gz SJAJDKJXAVVOLQ-ZANVPECISA-N -2 3 385.335 2.145 20 0 GEADHL O=S(=O)([N-]c1cccc(-c2nnn[n-]2)c1)c1cccc(Br)c1 ZINC000007230212 531537845 /nfs/dbraw/zinc/53/78/45/531537845.db2.gz GYKNQKHFCTUOIT-UHFFFAOYSA-N -2 3 380.227 2.430 20 0 GEADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1cccc(Br)c1 ZINC000007230212 531537855 /nfs/dbraw/zinc/53/78/55/531537855.db2.gz GYKNQKHFCTUOIT-UHFFFAOYSA-N -2 3 380.227 2.430 20 0 GEADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2ccn(-c3cccc(Cl)c3)n2)s1 ZINC000516401495 531816113 /nfs/dbraw/zinc/81/61/13/531816113.db2.gz SNGZMGAZBGUMJM-UHFFFAOYSA-N -2 3 398.857 2.001 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cncc(Br)c1)c1cccs1 ZINC000129737093 532182870 /nfs/dbraw/zinc/18/28/70/532182870.db2.gz SOROLQCJTLDFFI-SNVBAGLBSA-N -2 3 377.241 2.010 20 0 GEADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@](C)(CC)C(=O)[O-] ZINC000129169252 532174075 /nfs/dbraw/zinc/17/40/75/532174075.db2.gz KGUIBFDPPZAHHT-ZDUSSCGKSA-N -2 3 380.260 2.379 20 0 GEADHL CCOC(=O)c1cc([N-]S(=O)(=O)c2ccc(Br)cc2F)n[n-]1 ZINC000133705515 532241654 /nfs/dbraw/zinc/24/16/54/532241654.db2.gz PMQKWSXIHFNMCO-UHFFFAOYSA-N -2 3 392.206 2.289 20 0 GEADHL CC[N-]S(=O)(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(CC)cc1 ZINC000137261660 532288987 /nfs/dbraw/zinc/28/89/87/532288987.db2.gz DBQOSFSGFVUYQP-UHFFFAOYSA-N -2 3 386.470 2.487 20 0 GEADHL CC[N-]S(=O)(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000137261139 532289382 /nfs/dbraw/zinc/28/93/82/532289382.db2.gz ZPVDEHXZZUVYPX-UHFFFAOYSA-N -2 3 390.433 2.372 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c([N-]S(C)(=O)=O)c2)c1F ZINC000180475742 532273126 /nfs/dbraw/zinc/27/31/26/532273126.db2.gz RORFJCMFAJSCSX-UHFFFAOYSA-N -2 3 376.406 2.446 20 0 GEADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]C[C@@H](c2cccs2)N(C)C)c1F ZINC000184873652 532335221 /nfs/dbraw/zinc/33/52/21/532335221.db2.gz TXMZEVSQJXGDAI-LBPRGKRZSA-N -2 3 386.470 2.475 20 0 GEADHL CN(C)[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl)c1ccco1 ZINC000184871066 532335301 /nfs/dbraw/zinc/33/53/01/532335301.db2.gz POTXLVDBCIEMAO-GFCCVEGCSA-N -2 3 390.820 2.352 20 0 GEADHL C[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)N1CCC[C@@H](C)C1 ZINC000184915470 532335722 /nfs/dbraw/zinc/33/57/22/532335722.db2.gz SUJYDYLUWTZGMP-MNOVXSKESA-N -2 3 376.425 2.062 20 0 GEADHL C[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)C(=O)CCC2)c1ncc(C(=O)[O-])s1 ZINC000647619052 532378097 /nfs/dbraw/zinc/37/80/97/532378097.db2.gz HRNNQSMCQHYJAU-SECBINFHSA-N -2 3 380.447 2.400 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)[C@H]1CCOC2(CCC2)C1 ZINC000372262719 532379407 /nfs/dbraw/zinc/37/94/07/532379407.db2.gz SEPCDRDTGUNNRJ-IINYFYTJSA-N -2 3 375.393 2.046 20 0 GEADHL COc1ccc(Cl)c(S(=O)(=O)[N-]CCc2ccc(CC(=O)[O-])cc2)c1 ZINC000681570605 532432177 /nfs/dbraw/zinc/43/21/77/532432177.db2.gz AGDNVWBXMZDLBC-UHFFFAOYSA-N -2 3 383.853 2.497 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1cc(F)ccc1F ZINC000681566574 532430563 /nfs/dbraw/zinc/43/05/63/532430563.db2.gz GALBMCAHTANMAQ-CYBMUJFWSA-N -2 3 381.278 2.486 20 0 GEADHL CO[C@@H](CS(=O)(=O)[N-]c1ccccc1[N-]S(C)(=O)=O)c1ccccc1 ZINC000295322315 532433860 /nfs/dbraw/zinc/43/38/60/532433860.db2.gz OHJRREDIKWSWGV-INIZCTEOSA-N -2 3 384.479 2.188 20 0 GEADHL O=C([O-])[C@@H]1C=C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000282048125 532441554 /nfs/dbraw/zinc/44/15/54/532441554.db2.gz SXPLPFFJVWENPS-VXNVDRBHSA-N -2 3 380.647 2.410 20 0 GEADHL O=C([O-])[C@@H]1C=C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000282048110 532441616 /nfs/dbraw/zinc/44/16/16/532441616.db2.gz SXPLPFFJVWENPS-APPZFPTMSA-N -2 3 380.647 2.410 20 0 GEADHL O=C([O-])[C@H]1C=C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Br)C1 ZINC000282048121 532441959 /nfs/dbraw/zinc/44/19/59/532441959.db2.gz SXPLPFFJVWENPS-IONNQARKSA-N -2 3 380.647 2.410 20 0 GEADHL COC1(C[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)C(=O)[O-])CCC1 ZINC000650433030 532446596 /nfs/dbraw/zinc/44/65/96/532446596.db2.gz ONFRWZNVUQAFAA-QMMMGPOBSA-N -2 3 387.401 2.458 20 0 GEADHL O=C([O-])[C@@H]1CC(=O)N(C2CCN(Cc3cc([O-])ccc3Br)CC2)C1 ZINC000650792139 532454935 /nfs/dbraw/zinc/45/49/35/532454935.db2.gz YPWJBCJLWOSVPN-GFCCVEGCSA-N -2 3 397.269 2.052 20 0 GEADHL Cn1cc(S(=O)(=O)[N-]c2cc(F)ccc2Br)cc1C(=O)[O-] ZINC000229583878 532491778 /nfs/dbraw/zinc/49/17/78/532491778.db2.gz HVVQPZXSMXHJRM-UHFFFAOYSA-N -2 3 377.191 2.426 20 0 GEADHL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@@H](C)CCC[C@H](C)C(=O)[O-] ZINC000563809399 532510313 /nfs/dbraw/zinc/51/03/13/532510313.db2.gz NBSTYNKAXAIWAG-QWRGUYRKSA-N -2 3 375.443 2.186 20 0 GEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)c2ccccc2)c1 ZINC000594679467 532519087 /nfs/dbraw/zinc/51/90/87/532519087.db2.gz DXIYXASKFMDABW-IINYFYTJSA-N -2 3 383.447 2.070 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)[C@H]1CCCO1 ZINC000630422097 532519187 /nfs/dbraw/zinc/51/91/87/532519187.db2.gz JMQDCLOQFMSCFY-ZJUUUORDSA-N -2 3 398.662 2.013 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)[C@@H]1CCCO1 ZINC000630423180 532518194 /nfs/dbraw/zinc/51/81/94/532518194.db2.gz PUFWTCFVNSWRRS-QWRGUYRKSA-N -2 3 398.662 2.013 20 0 GEADHL CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000564855534 532535618 /nfs/dbraw/zinc/53/56/18/532535618.db2.gz FLNIUTYJTHPACY-BJOHPYRUSA-N -2 3 388.873 2.248 20 0 GEADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000564919465 532537479 /nfs/dbraw/zinc/53/74/79/532537479.db2.gz UOSDHIADBKSOKR-DGCLKSJQSA-N -2 3 375.418 2.014 20 0 GEADHL COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)[C@H](C)C(=O)[O-] ZINC000654786146 532569102 /nfs/dbraw/zinc/56/91/02/532569102.db2.gz LOUQQYLIKDDKCB-DCAQKATOSA-N -2 3 379.862 2.141 20 0 GEADHL CCC[C@@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1OC)C(=O)[O-] ZINC000262424933 532593844 /nfs/dbraw/zinc/59/38/44/532593844.db2.gz NOULDLNEDKSTCE-SECBINFHSA-N -2 3 384.223 2.128 20 0 GEADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000297284452 532578173 /nfs/dbraw/zinc/57/81/73/532578173.db2.gz UGRLKPNVMWYJJB-VIFPVBQESA-N -2 3 380.825 2.359 20 0 GEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000297331243 532581800 /nfs/dbraw/zinc/58/18/00/532581800.db2.gz XUOMICSJULUHDF-JQWIXIFHSA-N -2 3 375.468 2.237 20 0 GEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000530154253 532618602 /nfs/dbraw/zinc/61/86/02/532618602.db2.gz RZFMHBTYPBRRHN-YFBYITSOSA-N -2 3 377.846 2.137 20 0 GEADHL COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](CC2CCC2)C(=O)[O-])c1 ZINC000530420791 532619470 /nfs/dbraw/zinc/61/94/70/532619470.db2.gz IFMNJFJWECIBLW-LBPRGKRZSA-N -2 3 392.271 2.379 20 0 GEADHL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CC1CCC1)C(=O)[O-] ZINC000530420538 532620102 /nfs/dbraw/zinc/62/01/02/532620102.db2.gz QPNQSBVLOBYVIZ-GFCCVEGCSA-N -2 3 375.830 2.048 20 0 GEADHL O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)c1cc(Cl)ccc1[O-] ZINC000436505299 532637401 /nfs/dbraw/zinc/63/74/01/532637401.db2.gz NHGMSIKBVLMPHR-UHFFFAOYSA-N -2 3 395.289 2.469 20 0 GEADHL O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])c1ccc(Cl)cc1[O-] ZINC000436706693 532640703 /nfs/dbraw/zinc/64/07/03/532640703.db2.gz VYCVTMCEZGUJPX-UHFFFAOYSA-N -2 3 382.825 2.444 20 0 GEADHL Cc1oc(S(=O)(=O)[N-]C(C)(C)CCC(=O)OC(C)(C)C)cc1C(=O)[O-] ZINC000567107455 532641914 /nfs/dbraw/zinc/64/19/14/532641914.db2.gz ALVJPKWAWOIJQC-UHFFFAOYSA-N -2 3 375.443 2.465 20 0 GEADHL C[C@](CO)(C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)CC(=O)[O-] ZINC000285138867 532651218 /nfs/dbraw/zinc/65/12/18/532651218.db2.gz OASQZLXHOXSJPI-GFCCVEGCSA-N -2 3 389.779 2.110 20 0 GEADHL COCCS(=O)(=O)[N-]c1cc([O-])c(Br)cc1Br ZINC000285170809 532654749 /nfs/dbraw/zinc/65/47/49/532654749.db2.gz QRRZWQPVAFLRFP-UHFFFAOYSA-N -2 3 389.065 2.305 20 0 GEADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000484559047 532681477 /nfs/dbraw/zinc/68/14/77/532681477.db2.gz SURHVODLZPIUKE-UHFFFAOYSA-N -2 3 386.813 2.351 20 0 GEADHL Cc1ncsc1[C@H]([N-]S(=O)(=O)c1sccc1Br)C(=O)[O-] ZINC000573267132 532710079 /nfs/dbraw/zinc/71/00/79/532710079.db2.gz IZGXMGOXMJWIKV-ZETCQYMHSA-N -2 3 397.297 2.380 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@H]2CSC2(C)C)c(F)c1 ZINC000579919076 532745121 /nfs/dbraw/zinc/74/51/21/532745121.db2.gz NCOVAJZWUQKKRA-CYBMUJFWSA-N -2 3 396.531 2.150 20 0 GEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000580441175 532747255 /nfs/dbraw/zinc/74/72/55/532747255.db2.gz IANGPOREUFJBKR-VXGBXAGGSA-N -2 3 386.426 2.179 20 0 GEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000580441173 532747334 /nfs/dbraw/zinc/74/73/34/532747334.db2.gz IANGPOREUFJBKR-NWDGAFQWSA-N -2 3 386.426 2.179 20 0 GEADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2cn(CC(C)C)cn2)c1 ZINC000267338558 532739238 /nfs/dbraw/zinc/73/92/38/532739238.db2.gz HICXRSCILTZPDJ-UHFFFAOYSA-N -2 3 386.499 2.020 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@H](C)CSC)c(F)c1 ZINC000451220843 532761908 /nfs/dbraw/zinc/76/19/08/532761908.db2.gz WSRVCUKNFWFWLL-JTQLQIEISA-N -2 3 384.520 2.007 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C)[C@H](C(=O)[O-])C(C)C)cc1Cl ZINC000583747831 532766544 /nfs/dbraw/zinc/76/65/44/532766544.db2.gz GDRXKUYFGYJPFB-RMLUDKJBSA-N -2 3 394.852 2.461 20 0 GEADHL O=C([O-])[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000313812315 532779718 /nfs/dbraw/zinc/77/97/18/532779718.db2.gz ITZUNHIRAGWEOL-SSDOTTSWSA-N -2 3 394.140 2.272 20 0 GEADHL CCC[C@H](C[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)CCC)cc1F)OC ZINC000451640271 532768908 /nfs/dbraw/zinc/76/89/08/532768908.db2.gz OHFAPSJZDAMMJT-CYBMUJFWSA-N -2 3 396.506 2.071 20 0 GEADHL O=C([O-])[C@@H](Cc1cnc[nH]1)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000320188560 532786646 /nfs/dbraw/zinc/78/66/46/532786646.db2.gz PQRPGTRMFZQWSQ-SNVBAGLBSA-N -2 3 398.655 2.344 20 0 GEADHL N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H](CC(=O)c1cccs1)C(=O)[O-] ZINC000547569909 532786732 /nfs/dbraw/zinc/78/67/32/532786732.db2.gz VPWUEWBUNPSPIR-NSHDSACASA-N -2 3 398.849 2.278 20 0 GEADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@@H](C)CCC(=O)[O-] ZINC000547566601 532786826 /nfs/dbraw/zinc/78/68/26/532786826.db2.gz XSIUXPYEXLWXMV-QMMMGPOBSA-N -2 3 398.250 2.376 20 0 GEADHL C[C@@H]1CC[C@](C[N-]S(=O)(=O)c2ccc(Br)cn2)(CC(=O)[O-])C1 ZINC000547569540 532786892 /nfs/dbraw/zinc/78/68/92/532786892.db2.gz MRHCRROQXXXQLR-QMTHXVAHSA-N -2 3 391.287 2.404 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(Cl)c2)oc1C ZINC000547612562 532787258 /nfs/dbraw/zinc/78/72/58/532787258.db2.gz QOOGYISATDPJRB-ZDUSSCGKSA-N -2 3 387.797 2.132 20 0 GEADHL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)(C)C ZINC000547612354 532787705 /nfs/dbraw/zinc/78/77/05/532787705.db2.gz HGOFGVWTJBQREO-LBPRGKRZSA-N -2 3 377.846 2.294 20 0 GEADHL CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000547612596 532787721 /nfs/dbraw/zinc/78/77/21/532787721.db2.gz MFPOKLOPAKHMPL-ONGXEEELSA-N -2 3 379.276 2.402 20 0 GEADHL Cc1cc(S(=O)(=O)[N-][C@@H](Cc2ccc(O)cc2)C(=O)[O-])sc1Cl ZINC000323081677 532788413 /nfs/dbraw/zinc/78/84/13/532788413.db2.gz UJUGXINRSORDGF-NSHDSACASA-N -2 3 375.855 2.390 20 0 GEADHL COc1cc(Br)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CC2)cc1Cl ZINC000548221444 532789760 /nfs/dbraw/zinc/78/97/60/532789760.db2.gz XAPHAHJNURCDKO-LLVKDONJSA-N -2 3 398.662 2.253 20 0 GEADHL O=C([O-])[C@H](Cc1ccco1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000548220218 532789964 /nfs/dbraw/zinc/78/99/64/532789964.db2.gz YKSAKVQRDXKTQW-QMMMGPOBSA-N -2 3 380.241 2.078 20 0 GEADHL CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2[N-]S(C)(=O)=O)c1 ZINC000326523520 532790016 /nfs/dbraw/zinc/79/00/16/532790016.db2.gz VAERPYWCHIICGQ-UHFFFAOYSA-N -2 3 382.463 2.452 20 0 GEADHL C[C@@H](OC(C)(C)C)[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)[O-] ZINC000287544319 532799169 /nfs/dbraw/zinc/79/91/69/532799169.db2.gz NTLOCJBCAPJNRL-SCZZXKLOSA-N -2 3 384.376 2.036 20 0 GEADHL CC1(C)CC[C@]([N-]S(=O)(=O)c2cncc(Br)c2)(C(=O)[O-])C1 ZINC000551916014 532802135 /nfs/dbraw/zinc/80/21/35/532802135.db2.gz OLLDOGOEKUTGKZ-CYBMUJFWSA-N -2 3 377.260 2.156 20 0 GEADHL Cc1nc(C)c(S(=O)(=O)[N-][C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])s1 ZINC000274884414 532858827 /nfs/dbraw/zinc/85/88/27/532858827.db2.gz DNJGADMTMCPANS-CQSZACIVSA-N -2 3 379.463 2.215 20 0 GEADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CCC[C@H](C)C(=O)[O-] ZINC000274917304 532859447 /nfs/dbraw/zinc/85/94/47/532859447.db2.gz AIFADFBZVWLOLV-QMMMGPOBSA-N -2 3 398.250 2.376 20 0 GEADHL COc1cc(Br)c(S(=O)(=O)[N-]C[C@H](C)C(=O)[O-])cc1Cl ZINC000274889444 532859065 /nfs/dbraw/zinc/85/90/65/532859065.db2.gz FPFNNJZMSMGPOB-LURJTMIESA-N -2 3 386.651 2.110 20 0 GEADHL CSCC[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(=O)[O-] ZINC000274912784 532859541 /nfs/dbraw/zinc/85/95/41/532859541.db2.gz LBOHCRXJEKCQHO-SECBINFHSA-N -2 3 375.365 2.329 20 0 GEADHL C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F)C(=O)[O-] ZINC000274941607 532860185 /nfs/dbraw/zinc/86/01/85/532860185.db2.gz RATVXDIKOJUYFN-LURJTMIESA-N -2 3 390.177 2.467 20 0 GEADHL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(C)(C)C ZINC000275038292 532862347 /nfs/dbraw/zinc/86/23/47/532862347.db2.gz VAVDEHNCRWUSLC-JTQLQIEISA-N -2 3 375.418 2.028 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])s1 ZINC000275076599 532863397 /nfs/dbraw/zinc/86/33/97/532863397.db2.gz XRMNYFIBPADBNR-QMTHXVAHSA-N -2 3 383.447 2.275 20 0 GEADHL COc1ccc(Br)c(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C(C)C)c1 ZINC000275076668 532863179 /nfs/dbraw/zinc/86/31/79/532863179.db2.gz XUKWNQOAXNMOLC-SNVBAGLBSA-N -2 3 380.260 2.093 20 0 GEADHL COCC[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000275083869 532863905 /nfs/dbraw/zinc/86/39/05/532863905.db2.gz NTGSYJVLWXIKKP-SECBINFHSA-N -2 3 375.752 2.127 20 0 GEADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](Cc1cccc(Cl)c1)C(=O)[O-] ZINC000275078260 532863986 /nfs/dbraw/zinc/86/39/86/532863986.db2.gz YBCUELUWEURCEB-LLVKDONJSA-N -2 3 392.264 2.010 20 0 GEADHL C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1)CC(=O)[O-] ZINC000275134826 532866094 /nfs/dbraw/zinc/86/60/94/532866094.db2.gz JBSMNAAOZFCKCQ-VXGBXAGGSA-N -2 3 391.873 2.144 20 0 GEADHL COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](CCC(=O)[O-])c1ccccc1 ZINC000275214808 532868996 /nfs/dbraw/zinc/86/89/96/532868996.db2.gz HYNLLFSKMNLBEJ-LBPRGKRZSA-N -2 3 383.447 2.419 20 0 GEADHL O=C([O-])[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000275301017 532871991 /nfs/dbraw/zinc/87/19/91/532871991.db2.gz QMHLHESMMAAKCT-MRVPVSSYSA-N -2 3 394.140 2.272 20 0 GEADHL CCOc1cc([N-]S(=O)(=O)C[C@H](CC)OC)c(C(=O)[O-])cc1OCC ZINC000421146851 532888903 /nfs/dbraw/zinc/88/89/03/532888903.db2.gz BFDLCDXRAQHCJW-NSHDSACASA-N -2 3 375.443 2.349 20 0 GEADHL COc1cc([N-]S(=O)(=O)C[C@@H](CC(C)C)OC)c(C(=O)[O-])cc1OC ZINC000421157526 532889024 /nfs/dbraw/zinc/88/90/24/532889024.db2.gz RRATVOARRMZIQS-LLVKDONJSA-N -2 3 375.443 2.205 20 0 GEADHL CSCC[C@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C(=O)[O-] ZINC000291831290 532909110 /nfs/dbraw/zinc/90/91/10/532909110.db2.gz GGCHTRWBGGTVIA-ZETCQYMHSA-N -2 3 391.364 2.209 20 0 GEADHL O=S(=O)([N-]c1ccc(Cn2cccn2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738342159 598844341 /nfs/dbraw/zinc/84/43/41/598844341.db2.gz NCPKFXMMGGREAG-UHFFFAOYSA-N -2 3 399.411 2.051 20 0 GEADHL O=S(=O)([N-]c1ccc(Cn2cccn2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738342159 598844343 /nfs/dbraw/zinc/84/43/43/598844343.db2.gz NCPKFXMMGGREAG-UHFFFAOYSA-N -2 3 399.411 2.051 20 0 GEADHL O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000738214806 598845774 /nfs/dbraw/zinc/84/57/74/598845774.db2.gz MYJJFENCBAQKHT-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000738214806 598845775 /nfs/dbraw/zinc/84/57/75/598845775.db2.gz MYJJFENCBAQKHT-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL O=S(=O)([N-]c1ccnn1C1CCCC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738337982 598845783 /nfs/dbraw/zinc/84/57/83/598845783.db2.gz AUYZXNSQFWWDEM-UHFFFAOYSA-N -2 3 377.405 2.118 20 0 GEADHL O=S(=O)([N-]c1ccnn1C1CCCC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738337982 598845784 /nfs/dbraw/zinc/84/57/84/598845784.db2.gz AUYZXNSQFWWDEM-UHFFFAOYSA-N -2 3 377.405 2.118 20 0 GEADHL CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736352028 598924816 /nfs/dbraw/zinc/92/48/16/598924816.db2.gz ULCQAQBJHOKIFB-OAHLLOKOSA-N -2 3 391.497 2.419 20 0 GEADHL CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736352028 598924817 /nfs/dbraw/zinc/92/48/17/598924817.db2.gz ULCQAQBJHOKIFB-OAHLLOKOSA-N -2 3 391.497 2.419 20 0 GEADHL COc1cc(F)c(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2C)c(F)c1 ZINC000821720573 607255543 /nfs/dbraw/zinc/25/55/43/607255543.db2.gz VKODLMLTMNWIQG-UHFFFAOYSA-N -2 3 381.364 2.263 20 0 GEADHL COc1cc(F)c(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2C)c(F)c1 ZINC000821720573 607255544 /nfs/dbraw/zinc/25/55/44/607255544.db2.gz VKODLMLTMNWIQG-UHFFFAOYSA-N -2 3 381.364 2.263 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1sccc1C(C)C ZINC000737298364 598976481 /nfs/dbraw/zinc/97/64/81/598976481.db2.gz IEWMYMKJGXZVJH-UHFFFAOYSA-N -2 3 391.478 2.479 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1sccc1C(C)C ZINC000737298364 598976483 /nfs/dbraw/zinc/97/64/83/598976483.db2.gz IEWMYMKJGXZVJH-UHFFFAOYSA-N -2 3 391.478 2.479 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C[C@@H]1CCc2ccccc21 ZINC000737297530 599156680 /nfs/dbraw/zinc/15/66/80/599156680.db2.gz AYPQLFBMRYQEBZ-AWEZNQCLSA-N -2 3 397.460 2.100 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C[C@@H]1CCc2ccccc21 ZINC000737297530 599156682 /nfs/dbraw/zinc/15/66/82/599156682.db2.gz AYPQLFBMRYQEBZ-AWEZNQCLSA-N -2 3 397.460 2.100 20 0 GEADHL CC1(C)CCC(CC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824796881 607777548 /nfs/dbraw/zinc/77/75/48/607777548.db2.gz TZBYNYUQAUUGIC-UHFFFAOYSA-N -2 3 391.497 2.419 20 0 GEADHL CC1(C)CCC(CC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824796881 607777547 /nfs/dbraw/zinc/77/75/47/607777547.db2.gz TZBYNYUQAUUGIC-UHFFFAOYSA-N -2 3 391.497 2.419 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N[C@@H](C)C(=O)[O-] ZINC000427312584 597330718 /nfs/dbraw/zinc/33/07/18/597330718.db2.gz GSLVWEBTJNQRRN-NSHDSACASA-N -2 3 380.397 2.138 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1OC ZINC000521296447 597509207 /nfs/dbraw/zinc/50/92/07/597509207.db2.gz XGAPJXNROPTRJP-ZDUSSCGKSA-N -2 3 387.458 2.078 20 0 GEADHL CCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736312564 598372157 /nfs/dbraw/zinc/37/21/57/598372157.db2.gz IJENLSIHCCJFPI-UHFFFAOYSA-N -2 3 391.375 2.127 20 0 GEADHL CCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736312564 598372159 /nfs/dbraw/zinc/37/21/59/598372159.db2.gz IJENLSIHCCJFPI-UHFFFAOYSA-N -2 3 391.375 2.127 20 0 GEADHL O=C(CCc1cccs1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737859921 598417070 /nfs/dbraw/zinc/41/70/70/598417070.db2.gz DLJBMOVAWQRQOS-UHFFFAOYSA-N -2 3 397.869 2.019 20 0 GEADHL O=C(CCc1cccs1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737859921 598417071 /nfs/dbraw/zinc/41/70/71/598417071.db2.gz DLJBMOVAWQRQOS-UHFFFAOYSA-N -2 3 397.869 2.019 20 0 GEADHL Cc1cnc(-c2cccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)c2)o1 ZINC000737446344 598557374 /nfs/dbraw/zinc/55/73/74/598557374.db2.gz QACKPBUMDIIVNM-UHFFFAOYSA-N -2 3 383.393 2.026 20 0 GEADHL Cc1cnc(-c2cccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)c2)o1 ZINC000737446344 598557375 /nfs/dbraw/zinc/55/73/75/598557375.db2.gz QACKPBUMDIIVNM-UHFFFAOYSA-N -2 3 383.393 2.026 20 0 GEADHL COc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)c(F)c1 ZINC000737054196 598593070 /nfs/dbraw/zinc/59/30/70/598593070.db2.gz NHOFGJANCBAFIR-UHFFFAOYSA-N -2 3 385.327 2.093 20 0 GEADHL COc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)c(F)c1 ZINC000737054196 598593072 /nfs/dbraw/zinc/59/30/72/598593072.db2.gz NHOFGJANCBAFIR-UHFFFAOYSA-N -2 3 385.327 2.093 20 0 GEADHL CC(C)N(C)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1F ZINC000735858735 598606563 /nfs/dbraw/zinc/60/65/63/598606563.db2.gz BHJIQLACLCMJIP-UHFFFAOYSA-N -2 3 391.432 2.046 20 0 GEADHL CC(C)N(C)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1F ZINC000735858735 598606564 /nfs/dbraw/zinc/60/65/64/598606564.db2.gz BHJIQLACLCMJIP-UHFFFAOYSA-N -2 3 391.432 2.046 20 0 GEADHL O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000738167212 598606715 /nfs/dbraw/zinc/60/67/15/598606715.db2.gz PGMRVESYYPUSMK-UHFFFAOYSA-N -2 3 383.368 2.196 20 0 GEADHL O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000738167212 598606716 /nfs/dbraw/zinc/60/67/16/598606716.db2.gz PGMRVESYYPUSMK-UHFFFAOYSA-N -2 3 383.368 2.196 20 0 GEADHL CC[C@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736354274 598784964 /nfs/dbraw/zinc/78/49/64/598784964.db2.gz SUGALPAJBQAMNV-MRXNPFEDSA-N -2 3 399.476 2.082 20 0 GEADHL CC[C@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736354274 598784966 /nfs/dbraw/zinc/78/49/66/598784966.db2.gz SUGALPAJBQAMNV-MRXNPFEDSA-N -2 3 399.476 2.082 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1cccc(C(F)F)c1 ZINC000738140292 598799910 /nfs/dbraw/zinc/79/99/10/598799910.db2.gz RATXHXZDWBGCMN-UHFFFAOYSA-N -2 3 393.375 2.064 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)F)c1 ZINC000738140292 598799911 /nfs/dbraw/zinc/79/99/11/598799911.db2.gz RATXHXZDWBGCMN-UHFFFAOYSA-N -2 3 393.375 2.064 20 0 GEADHL O=S(=O)([N-]c1cc(C(F)(F)F)ccc1O)c1ccccc1-c1nnn[n-]1 ZINC000823583144 599304903 /nfs/dbraw/zinc/30/49/03/599304903.db2.gz IQLPUHWPDDDKHJ-UHFFFAOYSA-N -2 3 385.327 2.392 20 0 GEADHL O=S(=O)([N-]c1cc(C(F)(F)F)ccc1O)c1ccccc1-c1nn[n-]n1 ZINC000823583144 599304905 /nfs/dbraw/zinc/30/49/05/599304905.db2.gz IQLPUHWPDDDKHJ-UHFFFAOYSA-N -2 3 385.327 2.392 20 0 GEADHL CC(C)Cn1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cn1 ZINC000820108782 599305259 /nfs/dbraw/zinc/30/52/59/599305259.db2.gz SKSNDYODAMLUCO-UHFFFAOYSA-N -2 3 381.849 2.173 20 0 GEADHL CC(C)Cn1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000820108782 599305263 /nfs/dbraw/zinc/30/52/63/599305263.db2.gz SKSNDYODAMLUCO-UHFFFAOYSA-N -2 3 381.849 2.173 20 0 GEADHL O=C(CCc1cc(Cl)cs1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737853209 599516970 /nfs/dbraw/zinc/51/69/70/599516970.db2.gz QNDAVTVOTHLHOC-UHFFFAOYSA-N -2 3 397.869 2.019 20 0 GEADHL O=C(CCc1cc(Cl)cs1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737853209 599516971 /nfs/dbraw/zinc/51/69/71/599516971.db2.gz QNDAVTVOTHLHOC-UHFFFAOYSA-N -2 3 397.869 2.019 20 0 GEADHL C[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820396644 599553117 /nfs/dbraw/zinc/55/31/17/599553117.db2.gz HSGNVHFLIWISSC-VIFPVBQESA-N -2 3 393.432 2.295 20 0 GEADHL CCCS(=O)(=O)[N-]C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736497378 599617934 /nfs/dbraw/zinc/61/79/34/599617934.db2.gz FRWMGOCHXDDFAA-UHFFFAOYSA-N -2 3 387.421 2.129 20 0 GEADHL CCCS(=O)(=O)[N-]C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736497378 599617936 /nfs/dbraw/zinc/61/79/36/599617936.db2.gz FRWMGOCHXDDFAA-UHFFFAOYSA-N -2 3 387.421 2.129 20 0 GEADHL O=C(CC/C=C\c1ccccc1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737825214 599618524 /nfs/dbraw/zinc/61/85/24/599618524.db2.gz MFAITJDOEDYFDU-WTKPLQERSA-N -2 3 383.433 2.165 20 0 GEADHL O=C(CC/C=C\c1ccccc1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737825214 599618526 /nfs/dbraw/zinc/61/85/26/599618526.db2.gz MFAITJDOEDYFDU-WTKPLQERSA-N -2 3 383.433 2.165 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CCCC1CCCC1 ZINC000822222564 599624782 /nfs/dbraw/zinc/62/47/82/599624782.db2.gz MHBAEPYTPJJKDW-UHFFFAOYSA-N -2 3 377.470 2.341 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CCCC1CCCC1 ZINC000822222564 599624783 /nfs/dbraw/zinc/62/47/83/599624783.db2.gz MHBAEPYTPJJKDW-UHFFFAOYSA-N -2 3 377.470 2.341 20 0 GEADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1cccc(C(=O)[O-])c1O ZINC000738838428 599721733 /nfs/dbraw/zinc/72/17/33/599721733.db2.gz UQYRJOMTISODLJ-UHFFFAOYSA-N -2 3 394.387 2.115 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCOc2ccccc2C(F)(F)F)o1 ZINC000740176461 599779802 /nfs/dbraw/zinc/77/98/02/599779802.db2.gz FPXGLAHEZDGJOF-UHFFFAOYSA-N -2 3 379.312 2.354 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NC[C@H](C)C(=O)[O-] ZINC000738654693 599779946 /nfs/dbraw/zinc/77/99/46/599779946.db2.gz FWNVIWKIAORTOE-LBPRGKRZSA-N -2 3 394.424 2.385 20 0 GEADHL CCCc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000825348460 607397383 /nfs/dbraw/zinc/39/73/83/607397383.db2.gz LPYZCJZJBKRDOK-UHFFFAOYSA-N -2 3 385.449 2.246 20 0 GEADHL CCCc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000825348460 607397385 /nfs/dbraw/zinc/39/73/85/607397385.db2.gz LPYZCJZJBKRDOK-UHFFFAOYSA-N -2 3 385.449 2.246 20 0 GEADHL COc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)CCC(=O)[O-])cc1 ZINC000738136764 599871167 /nfs/dbraw/zinc/87/11/67/599871167.db2.gz OMLRMGPRGRSCPW-UHFFFAOYSA-N -2 3 378.406 2.164 20 0 GEADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000477415221 599905385 /nfs/dbraw/zinc/90/53/85/599905385.db2.gz AQCHCHINVVMBCU-SNVBAGLBSA-N -2 3 376.390 2.213 20 0 GEADHL COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1NC(C)=O ZINC000477403456 599905702 /nfs/dbraw/zinc/90/57/02/599905702.db2.gz WCEYEIWXKUSCQH-UHFFFAOYSA-N -2 3 378.406 2.461 20 0 GEADHL C[S@](=O)c1cccc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)c1 ZINC000738179085 600177442 /nfs/dbraw/zinc/17/74/42/600177442.db2.gz HKZBIYWBFPCYGE-DEOSSOPVSA-N -2 3 383.447 2.078 20 0 GEADHL CSC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000738188235 600241280 /nfs/dbraw/zinc/24/12/80/600241280.db2.gz ZBFBRZWYZAMSOH-ZCFIWIBFSA-N -2 3 386.264 2.316 20 0 GEADHL Cc1nc(-c2cnn(C)c2)sc1C(=O)[N-]c1nnc(CCCC(=O)[O-])s1 ZINC000738839268 600535965 /nfs/dbraw/zinc/53/59/65/600535965.db2.gz CJZZXHULZIZBDO-UHFFFAOYSA-N -2 3 392.466 2.363 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2cc(NC(C)=O)ccc2C)cc1C(=O)[O-] ZINC000042791673 600542004 /nfs/dbraw/zinc/54/20/04/600542004.db2.gz XARCXQMURMUCBX-UHFFFAOYSA-N -2 3 378.406 2.461 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)c(OC)c2)cc1C(=O)[O-] ZINC000042792030 600542476 /nfs/dbraw/zinc/54/24/76/600542476.db2.gz BXXOALZEOHRBDI-UHFFFAOYSA-N -2 3 394.405 2.161 20 0 GEADHL COC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cc1 ZINC000042795782 600542740 /nfs/dbraw/zinc/54/27/40/600542740.db2.gz OGVJCZRZXNYWPH-UHFFFAOYSA-N -2 3 380.378 2.373 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3)cc1C(=O)[O-] ZINC000614786892 600543249 /nfs/dbraw/zinc/54/32/49/600543249.db2.gz GPOPSNVPAOYPJX-UHFFFAOYSA-N -2 3 376.390 2.079 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2nc(-c3ccc(Cl)cc3)no2)o1 ZINC000740177925 600638109 /nfs/dbraw/zinc/63/81/09/600638109.db2.gz WZGPGXLANKKIPA-UHFFFAOYSA-N -2 3 383.769 2.160 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1OC ZINC000262526810 600659002 /nfs/dbraw/zinc/65/90/02/600659002.db2.gz HBKWCYZGAIHLHS-NWDGAFQWSA-N -2 3 384.454 2.286 20 0 GEADHL COC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)ccc1C(=O)[O-] ZINC000831328268 600687806 /nfs/dbraw/zinc/68/78/06/600687806.db2.gz UAWRBMLPGNTIQF-SNVBAGLBSA-N -2 3 391.401 2.296 20 0 GEADHL COC(=O)C[C@H]([N-]S(=O)(=O)c1csc(C(=O)[O-])c1)c1cccs1 ZINC000320411133 600699939 /nfs/dbraw/zinc/69/99/39/600699939.db2.gz HSNYCEHSROPDFR-VIFPVBQESA-N -2 3 375.449 2.091 20 0 GEADHL CCCCn1ncc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c1C ZINC000821082784 607466511 /nfs/dbraw/zinc/46/65/11/607466511.db2.gz OCCGRKGUYYWSHI-UHFFFAOYSA-N -2 3 375.458 2.281 20 0 GEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1c(F)c(F)c(F)c(F)c1F ZINC000783822152 607469079 /nfs/dbraw/zinc/46/90/79/607469079.db2.gz UGXSMXBZCLPFOE-UHFFFAOYSA-N -2 3 391.281 2.363 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(CN3CCOC3=O)cc2)cc1C(=O)[O-] ZINC000055652676 600811485 /nfs/dbraw/zinc/81/14/85/600811485.db2.gz OMXHBRKQGUZXIZ-UHFFFAOYSA-N -2 3 390.417 2.446 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)ccc1C ZINC000504688115 600813151 /nfs/dbraw/zinc/81/31/51/600813151.db2.gz WFNBAQZRHWYSDJ-UHFFFAOYSA-N -2 3 393.417 2.436 20 0 GEADHL O=C([O-])c1cccc(-c2nc(CS(=O)(=O)c3nc(C4CC4)n[n-]3)cs2)c1 ZINC000833325956 600831568 /nfs/dbraw/zinc/83/15/68/600831568.db2.gz BRLYKTHWDGJMJG-UHFFFAOYSA-N -2 3 390.446 2.478 20 0 GEADHL O=C([O-])c1cccc(-c2nc(CS(=O)(=O)c3nnc(C4CC4)[n-]3)cs2)c1 ZINC000833325956 600831573 /nfs/dbraw/zinc/83/15/73/600831573.db2.gz BRLYKTHWDGJMJG-UHFFFAOYSA-N -2 3 390.446 2.478 20 0 GEADHL O=C([O-])CCCc1nnc([N-]C(=O)c2cc(N3CCOC3=O)ccc2F)s1 ZINC000739710773 600845864 /nfs/dbraw/zinc/84/58/64/600845864.db2.gz HOFAYVJCNYAHLK-UHFFFAOYSA-N -2 3 394.384 2.293 20 0 GEADHL CC[C@](C)([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)OC)c1)C(F)(F)F ZINC000828692680 600988572 /nfs/dbraw/zinc/98/85/72/600988572.db2.gz KVTKXTBUVPYUJK-ZDUSSCGKSA-N -2 3 383.344 2.181 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2cccc(N3CCCC3=O)c2)cc1C(=O)[O-] ZINC000833027650 601219263 /nfs/dbraw/zinc/21/92/63/601219263.db2.gz IEXZKYFJQSNZAF-NSHDSACASA-N -2 3 392.433 2.453 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCCN(c3cccc(F)c3)C2)cc1C(=O)[O-] ZINC000833028709 601222193 /nfs/dbraw/zinc/22/21/93/601222193.db2.gz OOLDPROVUWQFAO-ZDUSSCGKSA-N -2 3 382.413 2.373 20 0 GEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000274932492 601224490 /nfs/dbraw/zinc/22/44/90/601224490.db2.gz CPUUUUFSZKBEAR-HZMBPMFUSA-N -2 3 383.447 2.275 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCN(c3cccc(Cl)c3)C2=O)cc1C(=O)[O-] ZINC000833027119 601225795 /nfs/dbraw/zinc/22/57/95/601225795.db2.gz CFGRKKQKIHFBDX-ZDUSSCGKSA-N -2 3 398.824 2.023 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@H]2OCCc3sccc32)c1F ZINC000833293638 601239770 /nfs/dbraw/zinc/23/97/70/601239770.db2.gz BKGHWBKHFMPIHJ-SNVBAGLBSA-N -2 3 389.401 2.317 20 0 GEADHL CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)o1 ZINC000273731838 601250902 /nfs/dbraw/zinc/25/09/02/601250902.db2.gz RYIKQZWUCXNMLN-ZDUSSCGKSA-N -2 3 383.422 2.215 20 0 GEADHL CCC(CC)(CC(=O)OC)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000828810291 601268751 /nfs/dbraw/zinc/26/87/51/601268751.db2.gz HUJWLHBENUNOFH-UHFFFAOYSA-N -2 3 379.381 2.063 20 0 GEADHL CN1CCOc2ccc([N-]S(=O)(=O)c3ccc(OCCC(=O)[O-])cc3)cc21 ZINC000830963542 601362474 /nfs/dbraw/zinc/36/24/74/601362474.db2.gz CLRRQPDSHUKDIU-UHFFFAOYSA-N -2 3 392.433 2.170 20 0 GEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000831467341 601388186 /nfs/dbraw/zinc/38/81/86/601388186.db2.gz XZJVDLRVGPBOQY-LBPRGKRZSA-N -2 3 389.838 2.292 20 0 GEADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000833013520 601388260 /nfs/dbraw/zinc/38/82/60/601388260.db2.gz AEZUOCFSTJFFOC-SNVBAGLBSA-N -2 3 378.237 2.140 20 0 GEADHL Cc1[nH]c(C(=O)[C@@H](C)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c(C)c1C(=O)[O-] ZINC000832842593 601388532 /nfs/dbraw/zinc/38/85/32/601388532.db2.gz FUFUGFBPWHWARO-CQSZACIVSA-N -2 3 399.447 2.065 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2noc(Cc3ccccc3)n2)cc1C(=O)[O-] ZINC000833029067 601406024 /nfs/dbraw/zinc/40/60/24/601406024.db2.gz YKAOUDFDKURGOB-SNVBAGLBSA-N -2 3 391.405 2.300 20 0 GEADHL Cc1nc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])sc1C(=O)[O-] ZINC000833004249 601435544 /nfs/dbraw/zinc/43/55/44/601435544.db2.gz STGXVCRQQOWWRG-LLVKDONJSA-N -2 3 375.406 2.099 20 0 GEADHL C[C@]1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Br)cc2F)CCCO1 ZINC000828107140 601585702 /nfs/dbraw/zinc/58/57/02/601585702.db2.gz RCRNCCBRVPDTOD-CYBMUJFWSA-N -2 3 396.234 2.134 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CC2)c(Cl)cc1Cl ZINC000776574059 601613116 /nfs/dbraw/zinc/61/31/16/601613116.db2.gz INRAUUMDHUDFKT-LLVKDONJSA-N -2 3 396.248 2.312 20 0 GEADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)ccc1F ZINC000831028849 601623906 /nfs/dbraw/zinc/62/39/06/601623906.db2.gz BLYXTLPHSDPYJG-UHFFFAOYSA-N -2 3 386.788 2.338 20 0 GEADHL Cc1cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc(C)c1OCC(=O)[O-] ZINC000537476107 601674445 /nfs/dbraw/zinc/67/44/45/601674445.db2.gz XLTQIXLEPRSEOR-UHFFFAOYSA-N -2 3 392.433 2.391 20 0 GEADHL CC[C@@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C(=O)[O-] ZINC000485867732 601749263 /nfs/dbraw/zinc/74/92/63/601749263.db2.gz AFBYFGXUDCEKJN-CQSZACIVSA-N -2 3 380.397 2.220 20 0 GEADHL COC[C@@](C)([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000328561200 601804317 /nfs/dbraw/zinc/80/43/17/601804317.db2.gz GHNONIUBCRPSRH-LLVKDONJSA-N -2 3 375.752 2.127 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2cnc3c(cnn3C(C)C)c2)c1-c1nnn[n-]1 ZINC000826303766 607534383 /nfs/dbraw/zinc/53/43/83/607534383.db2.gz DKPZSEDNCKIRHH-UHFFFAOYSA-N -2 3 398.452 2.302 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2cnc3c(cnn3C(C)C)c2)c1-c1nn[n-]n1 ZINC000826303766 607534385 /nfs/dbraw/zinc/53/43/85/607534385.db2.gz DKPZSEDNCKIRHH-UHFFFAOYSA-N -2 3 398.452 2.302 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)c1-c1nnn[n-]1 ZINC000826303853 607534657 /nfs/dbraw/zinc/53/46/57/607534657.db2.gz IWSSZVIQHFWESP-UHFFFAOYSA-N -2 3 398.448 2.324 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)c1-c1nn[n-]n1 ZINC000826303853 607534659 /nfs/dbraw/zinc/53/46/59/607534659.db2.gz IWSSZVIQHFWESP-UHFFFAOYSA-N -2 3 398.448 2.324 20 0 GEADHL CCOC(=O)c1sc2[n-]c([C@@H](C)N3CC[C@](C)(C(=O)[O-])C3)nc(=O)c2c1C ZINC000829901740 601948178 /nfs/dbraw/zinc/94/81/78/601948178.db2.gz QYXHKJNBULSXQJ-MGNBDDOMSA-N -2 3 393.465 2.327 20 0 GEADHL Cc1cccc(S(=O)(=O)N2CCCc3cc(C(=O)[O-])ccc32)c1-c1nnn[n-]1 ZINC000826301332 607535838 /nfs/dbraw/zinc/53/58/38/607535838.db2.gz AUBGAWSZBMYMHZ-UHFFFAOYSA-N -2 3 399.432 2.015 20 0 GEADHL Cc1cccc(S(=O)(=O)N2CCCc3cc(C(=O)[O-])ccc32)c1-c1nn[n-]n1 ZINC000826301332 607535840 /nfs/dbraw/zinc/53/58/40/607535840.db2.gz AUBGAWSZBMYMHZ-UHFFFAOYSA-N -2 3 399.432 2.015 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c1-c1nnn[n-]1 ZINC000826303898 607536607 /nfs/dbraw/zinc/53/66/07/607536607.db2.gz LJFAIMVZDKIWRY-UHFFFAOYSA-N -3 3 393.812 2.328 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])c1-c1nn[n-]n1 ZINC000826303898 607536608 /nfs/dbraw/zinc/53/66/08/607536608.db2.gz LJFAIMVZDKIWRY-UHFFFAOYSA-N -3 3 393.812 2.328 20 0 GEADHL Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000826316688 607536693 /nfs/dbraw/zinc/53/66/93/607536693.db2.gz VRJNEUYALXIYFA-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826316688 607536694 /nfs/dbraw/zinc/53/66/94/607536694.db2.gz VRJNEUYALXIYFA-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2CCCCCC[C@@H]2C(=O)[O-])c1 ZINC000548588835 601991307 /nfs/dbraw/zinc/99/13/07/601991307.db2.gz XQTZPUCLZATXGS-NWDGAFQWSA-N -2 3 375.468 2.237 20 0 GEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@H]2CCCCCC[C@@H]2C(=O)[O-])c1 ZINC000548588836 601991464 /nfs/dbraw/zinc/99/14/64/601991464.db2.gz XQTZPUCLZATXGS-RYUDHWBXSA-N -2 3 375.468 2.237 20 0 GEADHL O=C([O-])N(CC[N-]S(=O)(=O)c1cc(Br)ccc1F)C1CC1 ZINC000740488951 602045207 /nfs/dbraw/zinc/04/52/07/602045207.db2.gz UTRUSJIZDRCXBP-UHFFFAOYSA-N -2 3 381.223 2.009 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccc(F)cc2)c(Br)o1 ZINC000055313034 602139400 /nfs/dbraw/zinc/13/94/00/602139400.db2.gz VUKYWZRFLFYFAX-UHFFFAOYSA-N -2 3 378.175 2.358 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2noc(-c3ccccc3)n2)cc1C(=O)[O-] ZINC000833029205 602172681 /nfs/dbraw/zinc/17/26/81/602172681.db2.gz ZNTBKRSWBKEXSV-SECBINFHSA-N -2 3 377.378 2.376 20 0 GEADHL O=C([O-])NCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000740655707 602351830 /nfs/dbraw/zinc/35/18/30/602351830.db2.gz PMXPFRRALNMGPA-UHFFFAOYSA-N -2 3 395.412 2.014 20 0 GEADHL CC(C)c1ccc([C@@H](CNC(=O)CNC(=O)c2ccc([O-])cc2)NC(=O)[O-])cc1 ZINC000738876765 602407123 /nfs/dbraw/zinc/40/71/23/602407123.db2.gz LCXFQZCNGVRSAQ-GOSISDBHSA-N -2 3 399.447 2.371 20 0 GEADHL CCN(CCC[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C(=O)[O-] ZINC000739421798 602547945 /nfs/dbraw/zinc/54/79/45/602547945.db2.gz PYPOFVYEBXPOJD-UHFFFAOYSA-N -2 3 395.840 2.106 20 0 GEADHL C[C@@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823702557 602886775 /nfs/dbraw/zinc/88/67/75/602886775.db2.gz KPVSWUUKYYWBJJ-MLGOLLRUSA-N -2 3 380.408 2.128 20 0 GEADHL C[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823702557 602886777 /nfs/dbraw/zinc/88/67/77/602886777.db2.gz KPVSWUUKYYWBJJ-MLGOLLRUSA-N -2 3 380.408 2.128 20 0 GEADHL Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](NC(=O)[O-])C(C)C)s1 ZINC000829899610 603119029 /nfs/dbraw/zinc/11/90/29/603119029.db2.gz KIPIWVGFFMUARV-SECBINFHSA-N -2 3 385.305 2.390 20 0 GEADHL Cc1cc(=O)[n-]c(-c2cccc(OC(=O)CN(C[C@@H]3CCCO3)C(=O)[O-])c2)n1 ZINC000829894071 603473713 /nfs/dbraw/zinc/47/37/13/603473713.db2.gz NJFYPSYXZWUESF-HNNXBMFYSA-N -2 3 387.392 2.222 20 0 GEADHL C[C@@H](CN(C)C(=O)[O-])C(=O)Nc1cc(I)ccc1[O-] ZINC000824868091 603886172 /nfs/dbraw/zinc/88/61/72/603886172.db2.gz IEBRESALCZGIGH-ZETCQYMHSA-N -2 3 378.166 2.181 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C2(c3ccc4c(c3)OCO4)CC2)c1F ZINC000833295635 604415445 /nfs/dbraw/zinc/41/54/45/604415445.db2.gz WYJLLUVFWZOZRL-UHFFFAOYSA-N -2 3 397.355 2.359 20 0 GEADHL O=C([O-])c1cccc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000833145642 604424808 /nfs/dbraw/zinc/42/48/08/604424808.db2.gz UBVRKTFJOGWSIY-UHFFFAOYSA-N -2 3 393.193 2.108 20 0 GEADHL Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](Oc2ccc(F)cc2)C(=O)[O-])cc1F ZINC000547888583 604704975 /nfs/dbraw/zinc/70/49/75/604704975.db2.gz JQZNLIHXWSAPNW-AWEZNQCLSA-N -2 3 389.351 2.223 20 0 GEADHL C[C@@]1([N-]S(=O)(=O)c2ccc(Br)cn2)CCCC[C@@H]1C(=O)[O-] ZINC000833568344 604808478 /nfs/dbraw/zinc/80/84/78/604808478.db2.gz DBKVAFIQOMOUEB-ZWNOBZJWSA-N -2 3 377.260 2.156 20 0 GEADHL O=C([O-])COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1Cl ZINC000833258969 604809653 /nfs/dbraw/zinc/80/96/53/604809653.db2.gz DSHZRTUHKTZDFL-UHFFFAOYSA-N -2 3 399.808 2.375 20 0 GEADHL Cc1nc(C)c(CCC(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)c(=O)[n-]1 ZINC000832994904 604854308 /nfs/dbraw/zinc/85/43/08/604854308.db2.gz QWTPMOQRLPRGSU-UHFFFAOYSA-N -2 3 379.800 2.487 20 0 GEADHL CN1CC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)[C@H]1c1ccc(Cl)cc1 ZINC000833697345 604909041 /nfs/dbraw/zinc/90/90/41/604909041.db2.gz FPULLMXSTQWWFS-IUODEOHRSA-N -2 3 384.841 2.355 20 0 GEADHL C[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)[C@H](O)c1ccc(F)cc1 ZINC000833523704 605035474 /nfs/dbraw/zinc/03/54/74/605035474.db2.gz WFAUIWBQQFDGQU-AYVTZFPOSA-N -2 3 389.351 2.203 20 0 GEADHL CC1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Br)cc2F)CCOCC1 ZINC000833568699 605082683 /nfs/dbraw/zinc/08/26/83/605082683.db2.gz HUUXVFMBZQIAGC-UHFFFAOYSA-N -2 3 396.234 2.134 20 0 GEADHL O=C([O-])N1CCC[C@@H](CNC(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000831714672 605163013 /nfs/dbraw/zinc/16/30/13/605163013.db2.gz HBEFPMABKCZLCV-NSHDSACASA-N -2 3 386.246 2.344 20 0 GEADHL CN(C(=O)[O-])[C@@H]1CCCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000827822277 605189957 /nfs/dbraw/zinc/18/99/57/605189957.db2.gz JUYOOYFPEFMGGS-LLVKDONJSA-N -2 3 386.246 2.439 20 0 GEADHL COc1ccc(C2(C[N-]S(=O)(=O)c3cc(C(=O)[O-])co3)CCOCC2)cc1 ZINC000566178586 605197224 /nfs/dbraw/zinc/19/72/24/605197224.db2.gz ANCOMHISERCCAR-UHFFFAOYSA-N -2 3 395.433 2.013 20 0 GEADHL Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](NC(=O)[O-])C2CC2)s1 ZINC000833898403 605806860 /nfs/dbraw/zinc/80/68/60/605806860.db2.gz UBGVUZOEGZSQPJ-SECBINFHSA-N -2 3 383.289 2.144 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)cc1Cl ZINC000821846586 606211871 /nfs/dbraw/zinc/21/18/71/606211871.db2.gz UZIKLAOKCRHJTJ-UHFFFAOYSA-N -2 3 381.801 2.035 20 0 GEADHL CCC(CC)c1nnc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000820897728 606468369 /nfs/dbraw/zinc/46/83/69/606468369.db2.gz NJCZMYBVKFRGIB-UHFFFAOYSA-N -2 3 379.471 2.423 20 0 GEADHL CCC(CC)c1nnc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000820897728 606468370 /nfs/dbraw/zinc/46/83/70/606468370.db2.gz NJCZMYBVKFRGIB-UHFFFAOYSA-N -2 3 379.471 2.423 20 0 GEADHL CCOc1ccc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nnn[n-]2)cc1 ZINC000821426762 606606564 /nfs/dbraw/zinc/60/65/64/606606564.db2.gz JABUTUIDGRFMAI-UHFFFAOYSA-N -2 3 391.457 2.018 20 0 GEADHL O=S(=O)([N-]c1nnc(-c2ccccc2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823588887 606636990 /nfs/dbraw/zinc/63/69/90/606636990.db2.gz DTZUDAWBDADUIO-UHFFFAOYSA-N -2 3 385.434 2.186 20 0 GEADHL O=S(=O)([N-]c1nnc(-c2ccccc2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823588887 606636991 /nfs/dbraw/zinc/63/69/91/606636991.db2.gz DTZUDAWBDADUIO-UHFFFAOYSA-N -2 3 385.434 2.186 20 0 GEADHL O=S(=O)([N-]c1cc(Br)ccc1O)c1ccccc1-c1nnn[n-]1 ZINC000823583483 606637484 /nfs/dbraw/zinc/63/74/84/606637484.db2.gz RFZIUYGNAHNYNO-UHFFFAOYSA-N -2 3 396.226 2.136 20 0 GEADHL O=S(=O)([N-]c1cc(Br)ccc1O)c1ccccc1-c1nn[n-]n1 ZINC000823583483 606637485 /nfs/dbraw/zinc/63/74/85/606637485.db2.gz RFZIUYGNAHNYNO-UHFFFAOYSA-N -2 3 396.226 2.136 20 0 GEADHL Cc1ccc(-c2cc([N-]S(=O)(=O)c3cccc(-c4nn[n-]n4)c3)n[nH]2)s1 ZINC000822214236 606655966 /nfs/dbraw/zinc/65/59/66/606655966.db2.gz VRBONTDWTRLWAI-UHFFFAOYSA-N -2 3 387.450 2.428 20 0 GEADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccccc2-c2ccccc2)n1 ZINC000822622716 606710235 /nfs/dbraw/zinc/71/02/35/606710235.db2.gz HRTACDYILZKCQP-UHFFFAOYSA-N -2 3 381.421 2.068 20 0 GEADHL COc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c(C)n1 ZINC000821838918 607111309 /nfs/dbraw/zinc/11/13/09/607111309.db2.gz RGTMQRMBNHXRSD-UHFFFAOYSA-N -2 3 380.817 2.033 20 0 GEADHL COc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c(C)n1 ZINC000821838918 607111311 /nfs/dbraw/zinc/11/13/11/607111311.db2.gz RGTMQRMBNHXRSD-UHFFFAOYSA-N -2 3 380.817 2.033 20 0 GEADHL CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1sccc1OC ZINC000821309374 607154789 /nfs/dbraw/zinc/15/47/89/607154789.db2.gz NPKVELCAZARFLO-UHFFFAOYSA-N -2 3 380.455 2.169 20 0 GEADHL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000821698749 607155407 /nfs/dbraw/zinc/15/54/07/607155407.db2.gz XERALISYAHPSPL-UHFFFAOYSA-N -2 3 381.364 2.263 20 0 GEADHL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000821698749 607155408 /nfs/dbraw/zinc/15/54/08/607155408.db2.gz XERALISYAHPSPL-UHFFFAOYSA-N -2 3 381.364 2.263 20 0 GEADHL CC1(C)CCCC[C@H]1CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824803737 607776513 /nfs/dbraw/zinc/77/65/13/607776513.db2.gz WNWRTPHQUSBZMQ-HNNXBMFYSA-N -2 3 391.497 2.419 20 0 GEADHL CC1(C)CCCC[C@H]1CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824803737 607776514 /nfs/dbraw/zinc/77/65/14/607776514.db2.gz WNWRTPHQUSBZMQ-HNNXBMFYSA-N -2 3 391.497 2.419 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC000826279496 607806529 /nfs/dbraw/zinc/80/65/29/607806529.db2.gz RXMPMZKEHRJADW-HDJSIYSDSA-N -2 3 391.497 2.442 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC000826279496 607806530 /nfs/dbraw/zinc/80/65/30/607806530.db2.gz RXMPMZKEHRJADW-HDJSIYSDSA-N -2 3 391.497 2.442 20 0 GEADHL Cc1ccc(Cl)cc1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000826289304 607806882 /nfs/dbraw/zinc/80/68/82/607806882.db2.gz USKNTGQIARZGDP-UHFFFAOYSA-N -2 3 391.840 2.088 20 0 GEADHL Cc1ccc(Cl)cc1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000826289304 607806883 /nfs/dbraw/zinc/80/68/83/607806883.db2.gz USKNTGQIARZGDP-UHFFFAOYSA-N -2 3 391.840 2.088 20 0 GEADHL Cc1ncc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)s1 ZINC000826330248 607846497 /nfs/dbraw/zinc/84/64/97/607846497.db2.gz LQRMAZGPYVRCAG-UHFFFAOYSA-N -2 3 390.372 2.451 20 0 GEADHL Cc1ncc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)s1 ZINC000826330248 607846498 /nfs/dbraw/zinc/84/64/98/607846498.db2.gz LQRMAZGPYVRCAG-UHFFFAOYSA-N -2 3 390.372 2.451 20 0 GEADHL CCc1nc(-c2ccccc2[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)n[nH]1 ZINC000825740176 607879645 /nfs/dbraw/zinc/87/96/45/607879645.db2.gz PUHODUSILPGHKE-UHFFFAOYSA-N -2 3 396.436 2.015 20 0 GEADHL CCc1nc(-c2ccccc2[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)n[nH]1 ZINC000825740176 607879646 /nfs/dbraw/zinc/87/96/46/607879646.db2.gz PUHODUSILPGHKE-UHFFFAOYSA-N -2 3 396.436 2.015 20 0 GEADHL CC1(C)CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824801107 607922083 /nfs/dbraw/zinc/92/20/83/607922083.db2.gz AWEPSIHSRMGSCS-CQSZACIVSA-N -2 3 377.470 2.029 20 0 GEADHL CC1(C)CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824801107 607922084 /nfs/dbraw/zinc/92/20/84/607922084.db2.gz AWEPSIHSRMGSCS-CQSZACIVSA-N -2 3 377.470 2.029 20 0 GEADHL COc1ccc(-c2nc(SCc3ccn(C)n3)[n-]c(=O)c2-c2nn[n-]n2)cc1 ZINC000826181596 608218554 /nfs/dbraw/zinc/21/85/54/608218554.db2.gz GHTTZHZMLOABED-UHFFFAOYSA-N -2 3 396.436 2.064 20 0 GEADHL CCCc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)n(C)n1 ZINC000825348340 608220144 /nfs/dbraw/zinc/22/01/44/608220144.db2.gz GIVDDQOTGBCCBQ-UHFFFAOYSA-N -2 3 381.849 2.007 20 0 GEADHL CCCc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)n(C)n1 ZINC000825348340 608220145 /nfs/dbraw/zinc/22/01/45/608220145.db2.gz GIVDDQOTGBCCBQ-UHFFFAOYSA-N -2 3 381.849 2.007 20 0 GEADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)cc1 ZINC000824334653 608293878 /nfs/dbraw/zinc/29/38/78/608293878.db2.gz ZXDNURAJQNDPJE-UHFFFAOYSA-N -2 3 375.410 2.160 20 0 GEADHL CCOC(=O)c1cnc(C=Cc2ccc(F)c(-c3nnn[n-]3)c2)c(C(=O)[O-])c1 ZINC000825565049 608386217 /nfs/dbraw/zinc/38/62/17/608386217.db2.gz KRJMMNRMFCIJLF-XQRVVYSFSA-N -2 3 383.339 2.446 20 0 GEADHL CCOC(=O)c1cnc(C=Cc2ccc(F)c(-c3nn[n-]n3)c2)c(C(=O)[O-])c1 ZINC000825565049 608386219 /nfs/dbraw/zinc/38/62/19/608386219.db2.gz KRJMMNRMFCIJLF-XQRVVYSFSA-N -2 3 383.339 2.446 20 0 GEADHL COc1ccc(-c2nc(SCc3ccnn3C)[n-]c(=O)c2-c2nn[n-]n2)cc1 ZINC000826181664 608396452 /nfs/dbraw/zinc/39/64/52/608396452.db2.gz JRNWANRJTKPWBA-UHFFFAOYSA-N -2 3 396.436 2.064 20 0 GEADHL Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824857520 608493628 /nfs/dbraw/zinc/49/36/28/608493628.db2.gz DHJAYBSYXRJUBU-HNNXBMFYSA-N -2 3 395.810 2.498 20 0 GEADHL Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824857520 608493629 /nfs/dbraw/zinc/49/36/29/608493629.db2.gz DHJAYBSYXRJUBU-HNNXBMFYSA-N -2 3 395.810 2.498 20 0 GEADHL Cc1[n-]n(-c2cc(C)ccc2C)c(=O)c1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824858378 608493669 /nfs/dbraw/zinc/49/36/69/608493669.db2.gz JPZUOXCMHLCTMH-KRWDZBQOSA-N -2 3 389.419 2.461 20 0 GEADHL Cc1[n-]n(-c2cc(C)ccc2C)c(=O)c1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824858378 608493670 /nfs/dbraw/zinc/49/36/70/608493670.db2.gz JPZUOXCMHLCTMH-KRWDZBQOSA-N -2 3 389.419 2.461 20 0 GEADHL Cc1[n-]n(-c2ccccc2Cl)c(=O)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824858888 608493717 /nfs/dbraw/zinc/49/37/17/608493717.db2.gz MIUBTLYVSSJZJG-OAHLLOKOSA-N -2 3 395.810 2.498 20 0 GEADHL Cc1[n-]n(-c2ccccc2Cl)c(=O)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824858888 608493718 /nfs/dbraw/zinc/49/37/18/608493718.db2.gz MIUBTLYVSSJZJG-OAHLLOKOSA-N -2 3 395.810 2.498 20 0 GEADHL Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824859573 608493935 /nfs/dbraw/zinc/49/39/35/608493935.db2.gz QQNXRHQVEOVQIN-HNNXBMFYSA-N -2 3 395.810 2.498 20 0 GEADHL Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824859573 608493937 /nfs/dbraw/zinc/49/39/37/608493937.db2.gz QQNXRHQVEOVQIN-HNNXBMFYSA-N -2 3 395.810 2.498 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)cn1 ZINC000826256189 609161404 /nfs/dbraw/zinc/16/14/04/609161404.db2.gz XXPFRTRLVLPACH-UHFFFAOYSA-N -2 3 384.343 2.390 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]c2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)cc1 ZINC000826292629 609274173 /nfs/dbraw/zinc/27/41/73/609274173.db2.gz DNMPWUMZCWNUTN-UHFFFAOYSA-N -2 3 399.411 2.301 20 0 GEADHL CCOC(=O)c1ccsc1[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000825564981 609339664 /nfs/dbraw/zinc/33/96/64/609339664.db2.gz JCEWZXCZOKRCJZ-UHFFFAOYSA-N -2 3 393.450 2.214 20 0 GEADHL CCOC(=O)c1ccsc1[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000825564981 609339667 /nfs/dbraw/zinc/33/96/67/609339667.db2.gz JCEWZXCZOKRCJZ-UHFFFAOYSA-N -2 3 393.450 2.214 20 0 GEADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccccc1-c1ccno1 ZINC000826186798 609455176 /nfs/dbraw/zinc/45/51/76/609455176.db2.gz LCOZETZADWMFIV-UHFFFAOYSA-N -2 3 398.404 2.331 20 0 GEADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826461944 609525361 /nfs/dbraw/zinc/52/53/61/609525361.db2.gz KRGMZMFQYAWDKD-UHFFFAOYSA-N -3 3 379.785 2.019 20 0 GEADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826461944 609525362 /nfs/dbraw/zinc/52/53/62/609525362.db2.gz KRGMZMFQYAWDKD-UHFFFAOYSA-N -3 3 379.785 2.019 20 0 GEADHL C[S@](=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826224535 609528243 /nfs/dbraw/zinc/52/82/43/609528243.db2.gz HGBXAUDYBIGNPX-DEOSSOPVSA-N -2 3 397.869 2.058 20 0 GEADHL C[S@](=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826224535 609528245 /nfs/dbraw/zinc/52/82/45/609528245.db2.gz HGBXAUDYBIGNPX-DEOSSOPVSA-N -2 3 397.869 2.058 20 0 GEADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cc1F ZINC000826462109 609531241 /nfs/dbraw/zinc/53/12/41/609531241.db2.gz ORMULOXEFUNABA-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cc1F ZINC000826462109 609531243 /nfs/dbraw/zinc/53/12/43/609531243.db2.gz ORMULOXEFUNABA-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000460826167 650446094 /nfs/dbraw/zinc/44/60/94/650446094.db2.gz DPWWSDRYYQEQOO-UHFFFAOYSA-N -2 3 382.463 2.198 20 0 GEADHL Cc1ccc(-c2nc(C)c(C(=O)[N-]c3nnc([N-]S(C)(=O)=O)s3)s2)o1 ZINC000515878852 650595488 /nfs/dbraw/zinc/59/54/88/650595488.db2.gz ASIKQSXJWDKKJG-UHFFFAOYSA-N -2 3 399.479 2.495 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2ncccc2[O-])c(F)c1Cl ZINC000480733348 650629865 /nfs/dbraw/zinc/62/98/65/650629865.db2.gz UBLUQDVRTUZFPP-UHFFFAOYSA-N -2 3 391.783 2.156 20 0 GEADHL Cc1c([C@@H]([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)C(=O)[O-])cnn1C ZINC000530541188 650726037 /nfs/dbraw/zinc/72/60/37/650726037.db2.gz LGVRFBKEXOZDMX-GFCCVEGCSA-N -2 3 392.264 2.448 20 0 GEADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cncc(F)c2)c(Br)c1 ZINC000071392944 643060314 /nfs/dbraw/zinc/06/03/14/643060314.db2.gz NZYWCDLGEHWWIH-UHFFFAOYSA-N -2 3 375.175 2.482 20 0 GEADHL CSc1c(F)cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1F ZINC000543164520 650901588 /nfs/dbraw/zinc/90/15/88/650901588.db2.gz RBWRWYZWISUAJT-UHFFFAOYSA-N -2 3 384.385 2.371 20 0 GEADHL C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(C)cc(Br)c2[O-])o1 ZINC000182903621 644973804 /nfs/dbraw/zinc/97/38/04/644973804.db2.gz LRBCMXGIMFADSU-UHFFFAOYSA-N -2 3 389.227 2.217 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2nccn2C(F)F)c(Cl)cc1F ZINC000184971413 645029807 /nfs/dbraw/zinc/02/98/07/645029807.db2.gz DTKKCMZSTFMCQF-UHFFFAOYSA-N -2 3 383.735 2.247 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@H](C)CCC(=O)[O-])cc1Cl ZINC000547562137 651032676 /nfs/dbraw/zinc/03/26/76/651032676.db2.gz IILZPPKYRCXHSZ-MRVPVSSYSA-N -2 3 380.825 2.217 20 0 GEADHL O=C([O-])COc1ccc(CC[N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000547598002 651038075 /nfs/dbraw/zinc/03/80/75/651038075.db2.gz ABKCAFFCLFYZBA-UHFFFAOYSA-N -2 3 387.816 2.464 20 0 GEADHL O=C([O-])[C@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000547901173 651053155 /nfs/dbraw/zinc/05/31/55/651053155.db2.gz OYOMRUMLMPTYIW-JTQLQIEISA-N -2 3 375.374 2.031 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2C=C[C@H](C(=O)[O-])C2)c(Cl)cc1Cl ZINC000274934523 646335386 /nfs/dbraw/zinc/33/53/86/646335386.db2.gz CYKJVUFVRVNVCC-JGVFFNPUSA-N -2 3 394.232 2.088 20 0 GEADHL CC(C)(C)OC(=O)CC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000278193266 646501626 /nfs/dbraw/zinc/50/16/26/646501626.db2.gz RNLQBQOINIGHDP-LLVKDONJSA-N -2 3 395.836 2.333 20 0 GEADHL CCOC(=O)CC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000278269227 646508455 /nfs/dbraw/zinc/50/84/55/646508455.db2.gz YJLSNRFCBXNOAH-JTQLQIEISA-N -2 3 384.237 2.068 20 0 GEADHL COC(=O)Cc1nnc([N-]S(=O)(=O)c2c(C)sc3c2cccc3C)[n-]1 ZINC000421251016 648478700 /nfs/dbraw/zinc/47/87/00/648478700.db2.gz OSDSVUHAGZCGSB-UHFFFAOYSA-N -2 3 380.451 2.153 20 0 GEADHL COc1cccc(C)c1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000435732267 648786563 /nfs/dbraw/zinc/78/65/63/648786563.db2.gz NWXSWHFSEXKRMS-UHFFFAOYSA-N -2 3 388.442 2.315 20 0 GEADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1ccsc1 ZINC000548198754 651067630 /nfs/dbraw/zinc/06/76/30/651067630.db2.gz YOHIYLIWQZKBQE-LBPRGKRZSA-N -2 3 387.410 2.168 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-]C[C@]2(CC(=O)[O-])CC[C@H](C)C2)s1 ZINC000548227042 651069211 /nfs/dbraw/zinc/06/92/11/651069211.db2.gz ICSUWLIFOVZZNZ-ZUZCIYMTSA-N -2 3 375.468 2.094 20 0 GEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccccc2F)c1 ZINC000548251671 651073183 /nfs/dbraw/zinc/07/31/83/651073183.db2.gz CVLQTELGOFXNNU-GFCCVEGCSA-N -2 3 387.410 2.168 20 0 GEADHL CCC[C@@H](O)[C@H]([N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)C(=O)[O-] ZINC000548262318 651074184 /nfs/dbraw/zinc/07/41/84/651074184.db2.gz FMAQIUAWBPXRAD-YPMHNXCESA-N -2 3 375.830 2.287 20 0 GEADHL CCc1ncc(S(=O)(=O)[N-][C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])s1 ZINC000548532967 651079410 /nfs/dbraw/zinc/07/94/10/651079410.db2.gz VUSXOAKBEGWNPD-CYBMUJFWSA-N -2 3 379.463 2.161 20 0 GEADHL C[C@H]([C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-])C1CC1 ZINC000548866419 651088100 /nfs/dbraw/zinc/08/81/00/651088100.db2.gz CPXPZSGPXCYNSE-JVXZTZIISA-N -2 3 380.235 2.366 20 0 GEADHL O=C([O-])[C@H](CC(F)F)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000551242415 651121344 /nfs/dbraw/zinc/12/13/44/651121344.db2.gz ULEWKDPLBOSDLU-LURJTMIESA-N -2 3 392.605 2.489 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)CCC[C@@H](C)C(=O)[O-])c(F)c1 ZINC000554783496 651213218 /nfs/dbraw/zinc/21/32/18/651213218.db2.gz KZWMGTFOBBLVDV-MNOVXSKESA-N -2 3 375.418 2.170 20 0 GEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000645955065 651671723 /nfs/dbraw/zinc/67/17/23/651671723.db2.gz JNSCGDWLHZMIOS-GXTWGEPZSA-N -2 3 382.463 2.288 20 0 GEADHL CC(C)(C)c1csc(CC[N-]S(=O)(=O)c2scnc2C(=O)[O-])n1 ZINC000569967082 651737192 /nfs/dbraw/zinc/73/71/92/651737192.db2.gz RCKJJIZUASPYRL-UHFFFAOYSA-N -2 3 375.497 2.116 20 0 GEADHL CCOC(=O)CC1(S(=O)(=O)[N-]c2ccc(Br)cc2[O-])CC1 ZINC000571145635 651813311 /nfs/dbraw/zinc/81/33/11/651813311.db2.gz JTXJKAKHGRJKQW-UHFFFAOYSA-N -2 3 378.244 2.382 20 0 GEADHL O=C([O-])c1cc(Br)cc([N-]S(=O)(=O)CCOC(F)(F)F)c1 ZINC000571253357 651820660 /nfs/dbraw/zinc/82/06/60/651820660.db2.gz WJBNCLPDWZCJRN-UHFFFAOYSA-N -2 3 392.149 2.425 20 0 GEADHL Cc1ccc([C@@H]2OCCC[C@H]2[N-]S(=O)(=O)c2scnc2C(=O)[O-])cc1 ZINC000571438258 651832391 /nfs/dbraw/zinc/83/23/91/651832391.db2.gz CHLMMJWWZMIJPP-OCCSQVGLSA-N -2 3 382.463 2.348 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-][C@@H](CSCCOc2ccccc2)C(=O)[O-])o1 ZINC000572885770 651919627 /nfs/dbraw/zinc/91/96/27/651919627.db2.gz MMJSKYOOTATDQP-AWEZNQCLSA-N -2 3 385.463 2.132 20 0 GEADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000573202825 651941027 /nfs/dbraw/zinc/94/10/27/651941027.db2.gz JCDQLSKGJBGZBX-YPMHNXCESA-N -2 3 382.463 2.288 20 0 GEADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000576440319 652117792 /nfs/dbraw/zinc/11/77/92/652117792.db2.gz KHLGJHLVUKXVIY-UHFFFAOYSA-N -2 3 396.824 2.327 20 0 GEADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccc(Br)c(F)c1)C(F)F ZINC000580255458 652372817 /nfs/dbraw/zinc/37/28/17/652372817.db2.gz OWMAOSFCVJDKFA-ZCFIWIBFSA-N -2 3 390.177 2.223 20 0 GEADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000580322566 652375759 /nfs/dbraw/zinc/37/57/59/652375759.db2.gz VFNYSOVXVJSYBB-GXFFZTMASA-N -2 3 388.854 2.303 20 0 GEADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Br)cc1F)C1CCC1 ZINC000663254079 652486780 /nfs/dbraw/zinc/48/67/80/652486780.db2.gz DXGPPUCNSVPASK-SNVBAGLBSA-N -2 3 380.235 2.367 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cccs2)c(F)c1 ZINC000589061994 652558666 /nfs/dbraw/zinc/55/86/66/652558666.db2.gz GICVOAFTXWGMBE-LLVKDONJSA-N -2 3 387.410 2.168 20 0 GEADHL COc1cccc(C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2F)C(=O)[O-])c1 ZINC000681562750 653185759 /nfs/dbraw/zinc/18/57/59/653185759.db2.gz ZROIBKCDSPMTCC-ZDUSSCGKSA-N -2 3 387.816 2.462 20 0 GEADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cn1)CC1CCCC1 ZINC000776550720 653356823 /nfs/dbraw/zinc/35/68/23/653356823.db2.gz DANRJRVLZPVFPR-LLVKDONJSA-N -2 3 391.287 2.404 20 0 GEADHL CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1F)C(=O)[O-] ZINC000776583473 653361238 /nfs/dbraw/zinc/36/12/38/653361238.db2.gz IDANUONFQAZNFO-MFKMUULPSA-N -2 3 375.418 2.170 20 0 GEADHL CC(C)C[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)C(=O)[O-] ZINC000837283389 653418042 /nfs/dbraw/zinc/41/80/42/653418042.db2.gz DZTJTMRVBGKTIS-SECBINFHSA-N -2 3 385.667 2.275 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCOC3(CCC3)C2)c(F)cc1F ZINC000840891638 653698099 /nfs/dbraw/zinc/69/80/99/653698099.db2.gz JKLKXZKWMPFUBG-SNVBAGLBSA-N -2 3 375.393 2.291 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCOC3(CCC3)C2)c(F)cc1F ZINC000840891637 653698166 /nfs/dbraw/zinc/69/81/66/653698166.db2.gz JKLKXZKWMPFUBG-JTQLQIEISA-N -2 3 375.393 2.291 20 0 GEADHL Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C(=O)[O-] ZINC000787319101 653737022 /nfs/dbraw/zinc/73/70/22/653737022.db2.gz KAAHROSFYPVASP-MRVPVSSYSA-N -2 3 382.250 2.258 20 0 GEADHL C[C@@H]1SCC[C@@H]1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000843286689 653783006 /nfs/dbraw/zinc/78/30/06/653783006.db2.gz ATFXZEKYQIBMFZ-FSPLSTOPSA-N -2 3 386.314 2.381 20 0 GEADHL Cn1cc(S(=O)(=O)[N-]CCC[C@@H](Cc2ccccc2)C(=O)[O-])nc1Cl ZINC000790621783 653794440 /nfs/dbraw/zinc/79/44/40/653794440.db2.gz CACLJFHNFGZFND-ZDUSSCGKSA-N -2 3 385.873 2.076 20 0 GEADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C[C@@H](C)C(=O)[O-])c1 ZINC000794761798 653918778 /nfs/dbraw/zinc/91/87/78/653918778.db2.gz XDDKDUXIGZGJAB-SNVBAGLBSA-N -2 3 375.418 2.170 20 0 GEADHL O=C(c1ccc(I)cc1[O-])N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898226085 653959191 /nfs/dbraw/zinc/95/91/91/653959191.db2.gz IVZLOJPPTAWVOC-MRVPVSSYSA-N -2 3 399.188 2.055 20 0 GEADHL O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1cccc(Cl)c1[O-] ZINC000799740912 654109134 /nfs/dbraw/zinc/10/91/34/654109134.db2.gz GDOPBSDHHUKXJB-UHFFFAOYSA-N -2 3 390.795 2.032 20 0 GEADHL CCOCc1nc(C)cc(=N[N-]S(=O)(=O)c2c(F)cc(F)cc2F)[n-]1 ZINC000901739438 654145376 /nfs/dbraw/zinc/14/53/76/654145376.db2.gz QDJHCCMWMLERRI-UHFFFAOYSA-N -2 3 376.360 2.044 20 0 GEADHL O=C([O-])[C@@H]1[C@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)C1(F)F ZINC000903005899 654208784 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OASQZLXHOXSJPI-LBPRGKRZSA-N -2 3 389.779 2.110 20 0 GEADHL CC(C)(C)OC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000285141711 532651615 /nfs/dbraw/zinc/65/16/15/532651615.db2.gz OENJXSZOYZSDDZ-JTQLQIEISA-N -2 3 398.250 2.135 20 0 GEADHL C[N-]S(=O)(=O)c1cc(C(=O)[N-]c2cc(-c3cccc(Cl)c3)on2)co1 ZINC000377775257 532670141 /nfs/dbraw/zinc/67/01/41/532670141.db2.gz DYWNJLURDIBXBW-UHFFFAOYSA-N -2 3 381.797 2.748 20 0 GEADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000484561565 532681776 /nfs/dbraw/zinc/68/17/76/532681776.db2.gz TYPDFXAYCAADCY-UHFFFAOYSA-N -2 3 390.776 2.181 20 0 GEADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](SC)C1 ZINC000569689901 532704452 /nfs/dbraw/zinc/70/44/52/532704452.db2.gz UQZXFLYXFKUOPF-MNOVXSKESA-N -2 3 377.459 2.485 20 0 GEADHL CSc1nnc(C[N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)s1 ZINC000569726403 532705681 /nfs/dbraw/zinc/70/56/81/532705681.db2.gz KTIRLOVEMMFXDT-UHFFFAOYSA-N -2 3 393.899 2.399 20 0 GEADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C[C@H](C)Oc1ccccc1F ZINC000572637250 532708011 /nfs/dbraw/zinc/70/80/11/532708011.db2.gz XWHIEOLUZKLNIV-VIFPVBQESA-N -2 3 389.426 2.340 20 0 GEADHL COc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@]2(C)C(=O)[O-])cc1OC ZINC000392686142 532708811 /nfs/dbraw/zinc/70/88/11/532708811.db2.gz NYOWVCTXMVRXTN-GDBMZVCRSA-N -2 3 375.418 2.155 20 0 GEADHL C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1 ZINC000442779767 532734427 /nfs/dbraw/zinc/73/44/27/532734427.db2.gz DYIGBKKIGPDQJE-NEPJUHHUSA-N -2 3 378.491 2.444 20 0 GEADHL CC1(C)CCC[C@@H]([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000442769872 532734991 /nfs/dbraw/zinc/73/49/91/532734991.db2.gz OMRHOXSMLYBROX-GFCCVEGCSA-N -2 3 378.491 2.444 20 0 GEADHL O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccc([O-])cc1F ZINC000442960897 532738241 /nfs/dbraw/zinc/73/82/41/532738241.db2.gz DAWSUTZAXUGAQT-UHFFFAOYSA-N -2 3 390.795 2.032 20 0 GEADHL COc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2ncc(C(=O)[O-])s2)cc1OC ZINC000581370248 532755656 /nfs/dbraw/zinc/75/56/56/532755656.db2.gz OKVGMTIQRPTHKX-SSDOTTSWSA-N -2 3 390.414 2.037 20 0 GEADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CCOc1cc(C)cc(C)c1 ZINC000582604045 532760639 /nfs/dbraw/zinc/76/06/39/532760639.db2.gz KMLYRSBGRGFPMG-UHFFFAOYSA-N -2 3 385.463 2.429 20 0 GEADHL Cc1nn2cc(S(=O)(=O)[N-][C@@H](C)CCC[C@@H](C)C(=O)[O-])cnc2c1Cl ZINC000547613228 532787802 /nfs/dbraw/zinc/78/78/02/532787802.db2.gz ZXCHVRIKSONOTG-ZJUUUORDSA-N -2 3 388.877 2.249 20 0 GEADHL CCC[C@H](O)[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000547613485 532787816 /nfs/dbraw/zinc/78/78/16/532787816.db2.gz ZDDKULVPNLTOGN-GXSJLCMTSA-N -2 3 389.779 2.251 20 0 GEADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-] ZINC000548205766 532788782 /nfs/dbraw/zinc/78/87/82/532788782.db2.gz FGFVEHLVNUUMER-QMMMGPOBSA-N -2 3 393.389 2.075 20 0 GEADHL CCc1ccc([C@@H]([N-]S(=O)(=O)c2csc(C(=O)OC)c2)C(=O)[O-])cc1 ZINC000548207884 532788816 /nfs/dbraw/zinc/78/88/16/532788816.db2.gz OIUDZIIFQDPORB-CQSZACIVSA-N -2 3 383.447 2.201 20 0 GEADHL Cc1nc(C[N-]S(=O)(=O)c2ccc(Br)s2)ccc1C(=O)[O-] ZINC000548223155 532789802 /nfs/dbraw/zinc/78/98/02/532789802.db2.gz CZMXRNPSZQRTBF-UHFFFAOYSA-N -2 3 391.268 2.391 20 0 GEADHL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C ZINC000548224194 532789956 /nfs/dbraw/zinc/78/99/56/532789956.db2.gz TWKFLCHKWCGNRV-NSHDSACASA-N -2 3 375.418 2.028 20 0 GEADHL C[C@@H]1[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)CCN1Cc1ccccc1 ZINC000287320076 532791264 /nfs/dbraw/zinc/79/12/64/532791264.db2.gz VCVYIHCEIOQSIY-IUODEOHRSA-N -2 3 380.491 2.388 20 0 GEADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(S(C)(=O)=O)ccc1F ZINC000327732305 532792246 /nfs/dbraw/zinc/79/22/46/532792246.db2.gz VVVBAOVUSWVCCQ-UHFFFAOYSA-N -2 3 387.410 2.037 20 0 GEADHL CSCC[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)[N-]OC1CCCC1 ZINC000272099533 532813244 /nfs/dbraw/zinc/81/32/44/532813244.db2.gz LCXHOIYKUNFOPY-CQSZACIVSA-N -2 3 390.502 2.216 20 0 GEADHL CCc1csc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)n1 ZINC000414469665 532830649 /nfs/dbraw/zinc/83/06/49/532830649.db2.gz JWISJYVHMCQZNM-UHFFFAOYSA-N -2 3 379.460 2.017 20 0 GEADHL CC(C)(C)OC(=O)NCC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000273625642 532828631 /nfs/dbraw/zinc/82/86/31/532828631.db2.gz BREAAELJAPJDFO-UHFFFAOYSA-N -2 3 378.472 2.028 20 0 GEADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-][C@H]2CCCSC2)s1 ZINC000273712697 532832015 /nfs/dbraw/zinc/83/20/15/532832015.db2.gz LIWYUHJYKBMPSI-LURJTMIESA-N -2 3 386.314 2.383 20 0 GEADHL C[C@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000273731222 532832663 /nfs/dbraw/zinc/83/26/63/532832663.db2.gz NMVLGAKATJWIQW-ISVAXAHUSA-N -2 3 393.292 2.453 20 0 GEADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl)C(=O)NC(C)(C)C ZINC000273781286 532834005 /nfs/dbraw/zinc/83/40/05/532834005.db2.gz YZGFBIOZBCIUJW-SSDOTTSWSA-N -2 3 397.280 2.273 20 0 GEADHL O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1cc(Br)ccc1[O-] ZINC000274287488 532847055 /nfs/dbraw/zinc/84/70/55/532847055.db2.gz YSLCTLYNSYGBMJ-UHFFFAOYSA-N -2 3 382.214 2.054 20 0 GEADHL COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](CCSC)C(=O)[O-])cc1Cl ZINC000274889518 532859009 /nfs/dbraw/zinc/85/90/09/532859009.db2.gz FSEHSOQUSOQHPE-VIFPVBQESA-N -2 3 388.294 2.487 20 0 GEADHL O=C([O-])[C@@H](CC(F)F)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000275196689 532868540 /nfs/dbraw/zinc/86/85/40/532868540.db2.gz GDHYWOAMPNWZTP-SSDOTTSWSA-N -2 3 392.605 2.489 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CCCCC2)c(F)c1 ZINC000333475237 532868771 /nfs/dbraw/zinc/86/87/71/532868771.db2.gz RLYWFTANBSXLHJ-DZGCQCFKSA-N -2 3 390.502 2.444 20 0 GEADHL CCO[C@@H]1C[C@]([N-]S(=O)(=O)c2ccc(Cl)cc2F)(C(=O)[O-])C1(C)C ZINC000275564748 532879122 /nfs/dbraw/zinc/87/91/22/532879122.db2.gz FXFGFPBKSXRIGD-DOMZBBRYSA-N -2 3 379.837 2.416 20 0 GEADHL CCOC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000290427822 532880369 /nfs/dbraw/zinc/88/03/69/532880369.db2.gz ATJLSIPLAQTRTQ-VIFPVBQESA-N -2 3 375.752 2.127 20 0 GEADHL COCc1cc(Cl)cc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-])c1 ZINC000290648863 532885700 /nfs/dbraw/zinc/88/57/00/532885700.db2.gz MTBSFAREXPROJB-JTQLQIEISA-N -2 3 375.752 2.170 20 0 GEADHL O=C([O-])[C@H]1C=C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000276894148 532903027 /nfs/dbraw/zinc/90/30/27/532903027.db2.gz KPYOFUVWBJXORT-JGVFFNPUSA-N -2 3 380.647 2.410 20 0 GEADHL CC(C)(C)c1coc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)n1 ZINC000291947833 532910906 /nfs/dbraw/zinc/91/09/06/532910906.db2.gz ZKLXURCXKQLZSS-UHFFFAOYSA-N -2 3 391.446 2.284 20 0 GEADHL COCC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Br ZINC000291998079 532911748 /nfs/dbraw/zinc/91/17/48/532911748.db2.gz XEPNPNWBHSTZMH-UHFFFAOYSA-N -2 3 398.250 2.237 20 0 GEADHL CO[C@](C)(C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br)C1CC1 ZINC000292701905 532917856 /nfs/dbraw/zinc/91/78/56/532917856.db2.gz SCHJTIZJEPSKEA-GFCCVEGCSA-N -2 3 398.300 2.302 20 0 GEADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1OC ZINC000736645951 598841313 /nfs/dbraw/zinc/84/13/13/598841313.db2.gz BDNQPKANOFIZCG-UHFFFAOYSA-N -2 3 393.400 2.214 20 0 GEADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000736645951 598841315 /nfs/dbraw/zinc/84/13/15/598841315.db2.gz BDNQPKANOFIZCG-UHFFFAOYSA-N -2 3 393.400 2.214 20 0 GEADHL COc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000737105122 598841539 /nfs/dbraw/zinc/84/15/39/598841539.db2.gz DJLVTNCOIZXKCV-UHFFFAOYSA-N -2 3 383.792 2.469 20 0 GEADHL COc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000737105122 598841540 /nfs/dbraw/zinc/84/15/40/598841540.db2.gz DJLVTNCOIZXKCV-UHFFFAOYSA-N -2 3 383.792 2.469 20 0 GEADHL O=S(=O)([N-]c1ccn(Cc2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738342158 598844717 /nfs/dbraw/zinc/84/47/17/598844717.db2.gz NCBBSWLCDCBITL-UHFFFAOYSA-N -2 3 399.411 2.051 20 0 GEADHL O=S(=O)([N-]c1ccn(Cc2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738342158 598844718 /nfs/dbraw/zinc/84/47/18/598844718.db2.gz NCBBSWLCDCBITL-UHFFFAOYSA-N -2 3 399.411 2.051 20 0 GEADHL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000738211852 598867657 /nfs/dbraw/zinc/86/76/57/598867657.db2.gz AACZGLVXMIKTNP-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000738211852 598867658 /nfs/dbraw/zinc/86/76/58/598867658.db2.gz AACZGLVXMIKTNP-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL CC[C@H](C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C)c1ccccc1 ZINC000736313741 598975680 /nfs/dbraw/zinc/97/56/80/598975680.db2.gz PEBKGFKSVDOGJK-HNNXBMFYSA-N -2 3 385.449 2.174 20 0 GEADHL CC[C@H](C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C)c1ccccc1 ZINC000736313741 598975682 /nfs/dbraw/zinc/97/56/82/598975682.db2.gz PEBKGFKSVDOGJK-HNNXBMFYSA-N -2 3 385.449 2.174 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H](C)CC1CCCC1 ZINC000737298918 598976581 /nfs/dbraw/zinc/97/65/81/598976581.db2.gz MPIYDLWKADXDKD-GFCCVEGCSA-N -2 3 377.470 2.196 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H](C)CC1CCCC1 ZINC000737298918 598976583 /nfs/dbraw/zinc/97/65/83/598976583.db2.gz MPIYDLWKADXDKD-GFCCVEGCSA-N -2 3 377.470 2.196 20 0 GEADHL Cc1ccc(CCC(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c(C)c1 ZINC000737338357 598976874 /nfs/dbraw/zinc/97/68/74/598976874.db2.gz RAQGXFPSAQZAKN-UHFFFAOYSA-N -2 3 399.476 2.230 20 0 GEADHL Cc1ccc(CCC(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c(C)c1 ZINC000737338357 598976876 /nfs/dbraw/zinc/97/68/76/598976876.db2.gz RAQGXFPSAQZAKN-UHFFFAOYSA-N -2 3 399.476 2.230 20 0 GEADHL CSc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)nc1 ZINC000737192729 599193166 /nfs/dbraw/zinc/19/31/66/599193166.db2.gz ZICGFWSFEGWTLK-UHFFFAOYSA-N -2 3 382.858 2.438 20 0 GEADHL CSc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)nc1 ZINC000737192729 599193168 /nfs/dbraw/zinc/19/31/68/599193168.db2.gz ZICGFWSFEGWTLK-UHFFFAOYSA-N -2 3 382.858 2.438 20 0 GEADHL CCCC=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000736437027 599218753 /nfs/dbraw/zinc/21/87/53/599218753.db2.gz CQLUZGWDLKYDCP-PLNGDYQASA-N -2 3 389.359 2.047 20 0 GEADHL CCCC=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000736437027 599218754 /nfs/dbraw/zinc/21/87/54/599218754.db2.gz CQLUZGWDLKYDCP-PLNGDYQASA-N -2 3 389.359 2.047 20 0 GEADHL O=C([O-])[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000498819480 597160604 /nfs/dbraw/zinc/16/06/04/597160604.db2.gz JHWGUALPISRXAC-MRXNPFEDSA-N -2 3 392.408 2.316 20 0 GEADHL CCCC[C@H](CC)CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000736438931 599245326 /nfs/dbraw/zinc/24/53/26/599245326.db2.gz PKRNLEYXWYYGAG-ZDUSSCGKSA-N -2 3 379.486 2.419 20 0 GEADHL CCCC[C@H](CC)CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000736438931 599245328 /nfs/dbraw/zinc/24/53/28/599245328.db2.gz PKRNLEYXWYYGAG-ZDUSSCGKSA-N -2 3 379.486 2.419 20 0 GEADHL O=C([O-])[C@H]1CCN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000821400027 597654467 /nfs/dbraw/zinc/65/44/67/597654467.db2.gz WDEHIPUYQXKNNJ-WMZOPIPTSA-N -2 3 382.416 2.187 20 0 GEADHL O=C(C=CC1CCCCC1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737797141 599283920 /nfs/dbraw/zinc/28/39/20/599283920.db2.gz QFJJQTKJQRRBLK-TWGQIWQCSA-N -2 3 395.872 2.462 20 0 GEADHL O=C(C=CC1CCCCC1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737797141 599283922 /nfs/dbraw/zinc/28/39/22/599283922.db2.gz QFJJQTKJQRRBLK-TWGQIWQCSA-N -2 3 395.872 2.462 20 0 GEADHL O=S(=O)([N-]c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1cn[nH]c1 ZINC000738341660 598283649 /nfs/dbraw/zinc/28/36/49/598283649.db2.gz ISMAPMMDAJCKHQ-UHFFFAOYSA-N -2 3 383.393 2.183 20 0 GEADHL C[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)C1CCCCC1 ZINC000735974816 598306681 /nfs/dbraw/zinc/30/66/81/598306681.db2.gz JNYCHSUQEGBCIS-ZDUSSCGKSA-N -2 3 391.497 2.419 20 0 GEADHL C[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C1CCCCC1 ZINC000735974816 598306684 /nfs/dbraw/zinc/30/66/84/598306684.db2.gz JNYCHSUQEGBCIS-ZDUSSCGKSA-N -2 3 391.497 2.419 20 0 GEADHL CC(C)C[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735761892 598414221 /nfs/dbraw/zinc/41/42/21/598414221.db2.gz REQQAPCKXLFGFM-SNVBAGLBSA-N -2 3 385.877 2.397 20 0 GEADHL CC(C)C[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735761892 598414223 /nfs/dbraw/zinc/41/42/23/598414223.db2.gz REQQAPCKXLFGFM-SNVBAGLBSA-N -2 3 385.877 2.397 20 0 GEADHL O=C(CCC1CCCC1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737824933 598415112 /nfs/dbraw/zinc/41/51/12/598415112.db2.gz VQZDNRXKMJUYLH-UHFFFAOYSA-N -2 3 383.861 2.295 20 0 GEADHL O=C(CCC1CCCC1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737824933 598415113 /nfs/dbraw/zinc/41/51/13/598415113.db2.gz VQZDNRXKMJUYLH-UHFFFAOYSA-N -2 3 383.861 2.295 20 0 GEADHL Cc1cc(C)cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737251163 598415506 /nfs/dbraw/zinc/41/55/06/598415506.db2.gz BBDMFDDSEVKEIS-UHFFFAOYSA-N -2 3 391.840 2.256 20 0 GEADHL Cc1cc(C)cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737251163 598415507 /nfs/dbraw/zinc/41/55/07/598415507.db2.gz BBDMFDDSEVKEIS-UHFFFAOYSA-N -2 3 391.840 2.256 20 0 GEADHL Cn1cnc(S(=O)(=O)[N-]c2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)c1 ZINC000737617814 598557323 /nfs/dbraw/zinc/55/73/23/598557323.db2.gz BZQCITAKDOHPTN-UHFFFAOYSA-N -2 3 397.420 2.193 20 0 GEADHL Cn1cnc(S(=O)(=O)[N-]c2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)c1 ZINC000737617814 598557324 /nfs/dbraw/zinc/55/73/24/598557324.db2.gz BZQCITAKDOHPTN-UHFFFAOYSA-N -2 3 397.420 2.193 20 0 GEADHL Cc1ccc(C(C)(C)C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737316418 598728091 /nfs/dbraw/zinc/72/80/91/598728091.db2.gz BJWLKSFWRSWJQU-UHFFFAOYSA-N -2 3 399.476 2.099 20 0 GEADHL Cc1ccc(C(C)(C)C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737316418 598728092 /nfs/dbraw/zinc/72/80/92/598728092.db2.gz BJWLKSFWRSWJQU-UHFFFAOYSA-N -2 3 399.476 2.099 20 0 GEADHL Cc1noc2ncc([N-]S(=O)(=O)c3ccc(Cl)c(-c4nnn[n-]4)c3)cc12 ZINC000822530609 599305312 /nfs/dbraw/zinc/30/53/12/599305312.db2.gz JKNMUUQRZFJWQK-UHFFFAOYSA-N -2 3 391.800 2.166 20 0 GEADHL Cc1noc2ncc([N-]S(=O)(=O)c3ccc(Cl)c(-c4nn[n-]n4)c3)cc12 ZINC000822530609 599305315 /nfs/dbraw/zinc/30/53/15/599305315.db2.gz JKNMUUQRZFJWQK-UHFFFAOYSA-N -2 3 391.800 2.166 20 0 GEADHL CN(c1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000736842069 599315250 /nfs/dbraw/zinc/31/52/50/599315250.db2.gz MYWSTQSPYQFUMM-UHFFFAOYSA-N -2 3 393.812 2.043 20 0 GEADHL CN(c1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000736842069 599315253 /nfs/dbraw/zinc/31/52/53/599315253.db2.gz MYWSTQSPYQFUMM-UHFFFAOYSA-N -2 3 393.812 2.043 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)cnn1-c1ccccc1 ZINC000822152400 607376225 /nfs/dbraw/zinc/37/62/25/607376225.db2.gz HWIGUSGCYMQJHO-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)cnn1-c1ccccc1 ZINC000822152400 607376227 /nfs/dbraw/zinc/37/62/27/607376227.db2.gz HWIGUSGCYMQJHO-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL O=S(=O)([N-]c1n[nH]c2c1cccc2Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000823589133 607381568 /nfs/dbraw/zinc/38/15/68/607381568.db2.gz OUCLPYSAIBPGFV-UHFFFAOYSA-N -2 3 375.801 2.197 20 0 GEADHL O=S(=O)([N-]c1n[nH]c2c1cccc2Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000823589133 607381570 /nfs/dbraw/zinc/38/15/70/607381570.db2.gz OUCLPYSAIBPGFV-UHFFFAOYSA-N -2 3 375.801 2.197 20 0 GEADHL CC(C)[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000820015232 599619485 /nfs/dbraw/zinc/61/94/85/599619485.db2.gz BVDLOCNCSKHPEQ-INIZCTEOSA-N -2 3 385.449 2.111 20 0 GEADHL CC(C)[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820015232 599619486 /nfs/dbraw/zinc/61/94/86/599619486.db2.gz BVDLOCNCSKHPEQ-INIZCTEOSA-N -2 3 385.449 2.111 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(OCc3ccccn3)c2)o1 ZINC000740176640 599771685 /nfs/dbraw/zinc/77/16/85/599771685.db2.gz MVAOTAVRASRHJO-UHFFFAOYSA-N -2 3 388.401 2.430 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2OCC(F)(F)F)o1 ZINC000740176488 599773747 /nfs/dbraw/zinc/77/37/47/599773747.db2.gz HTDKHSPTSWNXGZ-UHFFFAOYSA-N -2 3 379.312 2.397 20 0 GEADHL CC(C)[C@@H]([N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1nc(C2CC2)no1 ZINC000570960179 599775190 /nfs/dbraw/zinc/77/51/90/599775190.db2.gz TXPGKABZBNRSFN-CQSZACIVSA-N -2 3 379.438 2.462 20 0 GEADHL CC(C)N(CCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(=O)OC(C)(C)C ZINC000736468458 599779233 /nfs/dbraw/zinc/77/92/33/599779233.db2.gz RDZJKHBYJRIMIP-UHFFFAOYSA-N -2 3 390.458 2.292 20 0 GEADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(N2CCOCC2)c(F)c1 ZINC000738347242 599801731 /nfs/dbraw/zinc/80/17/31/599801731.db2.gz HNAWJJVWUPEJSP-UHFFFAOYSA-N -2 3 394.424 2.470 20 0 GEADHL Cc1ccc(C(=O)NCCC(=O)N[C@H](CC(=O)[O-])c2cccs2)c([O-])c1 ZINC000738514412 599815823 /nfs/dbraw/zinc/81/58/23/599815823.db2.gz GSTANUWRUBSYDL-CYBMUJFWSA-N -2 3 376.434 2.214 20 0 GEADHL Cc1ccc(C(=O)NCCC(=O)N[C@@H](CC(=O)[O-])c2cccs2)c([O-])c1 ZINC000738514413 599815928 /nfs/dbraw/zinc/81/59/28/599815928.db2.gz GSTANUWRUBSYDL-ZDUSSCGKSA-N -2 3 376.434 2.214 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1Cl ZINC000826292861 607401773 /nfs/dbraw/zinc/40/17/73/607401773.db2.gz PCSDHDGHPWMNSZ-UHFFFAOYSA-N -2 3 391.840 2.256 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1Cl ZINC000826292861 607401774 /nfs/dbraw/zinc/40/17/74/607401774.db2.gz PCSDHDGHPWMNSZ-UHFFFAOYSA-N -2 3 391.840 2.256 20 0 GEADHL Cn1ccnc1COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000738411114 599885846 /nfs/dbraw/zinc/88/58/46/599885846.db2.gz ODVWEBMAAGHRAI-UHFFFAOYSA-N -2 3 387.417 2.498 20 0 GEADHL COc1ccc([C@@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)C(=O)[O-])cc1 ZINC000737968530 599895559 /nfs/dbraw/zinc/89/55/59/599895559.db2.gz HCUAYYBLANTZSI-CQSZACIVSA-N -2 3 375.324 2.217 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cc1NC(C)=O ZINC000066290437 599925228 /nfs/dbraw/zinc/92/52/28/599925228.db2.gz BVESFZBWJDWUGQ-UHFFFAOYSA-N -2 3 378.406 2.461 20 0 GEADHL CCN(CC(=O)[O-])C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000485336001 600025304 /nfs/dbraw/zinc/02/53/04/600025304.db2.gz HUNUSFNALSRBBJ-UHFFFAOYSA-N -2 3 380.397 2.173 20 0 GEADHL CCOC(=O)c1sc2[n-]c([C@H](C)N3CCC[C@@H](C(=O)[O-])C3)nc(=O)c2c1C ZINC000737157030 600140290 /nfs/dbraw/zinc/14/02/90/600140290.db2.gz QKEBQTJYHBXAFD-WDEREUQCSA-N -2 3 393.465 2.327 20 0 GEADHL CN(C)S(=O)(=O)c1ccsc1C(=O)[N-]c1cc(C(=O)[O-])c(F)cc1F ZINC000737374333 600192910 /nfs/dbraw/zinc/19/29/10/600192910.db2.gz RBVLMBLFMNCKSA-UHFFFAOYSA-N -2 3 390.389 2.227 20 0 GEADHL CCOc1cc(CCC[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)ccc1OC ZINC000515643405 600238000 /nfs/dbraw/zinc/23/80/00/600238000.db2.gz QKXYXFLCOMQLTJ-UHFFFAOYSA-N -2 3 383.422 2.296 20 0 GEADHL C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccccc3C(=O)[O-])cc2)CCO1 ZINC000736822531 600256320 /nfs/dbraw/zinc/25/63/20/600256320.db2.gz DKOIRTUCJUUDDF-CYBMUJFWSA-N -2 3 376.434 2.411 20 0 GEADHL O=C([O-])CCCOc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000739687605 600489800 /nfs/dbraw/zinc/48/98/00/600489800.db2.gz TYNHNRHAWWWGGD-UHFFFAOYSA-N -2 3 391.405 2.313 20 0 GEADHL CCc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c(C(=O)[O-])c1 ZINC000496051810 600536215 /nfs/dbraw/zinc/53/62/15/600536215.db2.gz HXAAUEGZKMIGFM-UHFFFAOYSA-N -3 3 379.390 2.211 20 0 GEADHL O=C([O-])N1CCC[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000739386022 600537491 /nfs/dbraw/zinc/53/74/91/600537491.db2.gz HSXMHKPJUPCBME-SNVBAGLBSA-N -2 3 394.225 2.163 20 0 GEADHL COC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cc1 ZINC000735270744 600545005 /nfs/dbraw/zinc/54/50/05/600545005.db2.gz SNECFJNMVWVIPD-UHFFFAOYSA-N -2 3 394.405 2.050 20 0 GEADHL COC(=O)CCOc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1 ZINC000481961471 600627680 /nfs/dbraw/zinc/62/76/80/600627680.db2.gz OAEDZIHGBZAWBR-UHFFFAOYSA-N -2 3 393.417 2.056 20 0 GEADHL O=C([O-])COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000833258922 600675779 /nfs/dbraw/zinc/67/57/79/600675779.db2.gz BATPILDJRKHBMM-UHFFFAOYSA-N -3 3 385.781 2.302 20 0 GEADHL Cc1[nH]nc(S(=O)(=O)[N-]c2c(F)cc(Br)cc2F)c1C(=O)[O-] ZINC000832992099 600686957 /nfs/dbraw/zinc/68/69/57/600686957.db2.gz XISIIBXWFMVZMI-UHFFFAOYSA-N -2 3 396.169 2.258 20 0 GEADHL COC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccccc2C(=O)[O-])cc1[O-] ZINC000831210931 600730238 /nfs/dbraw/zinc/73/02/38/600730238.db2.gz XEQAWTPXWWWSPG-UHFFFAOYSA-N -2 3 388.332 2.064 20 0 GEADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)Cc1cccc(F)c1 ZINC000833164768 600741577 /nfs/dbraw/zinc/74/15/77/600741577.db2.gz YSHXIDUFOCUFQT-SNVBAGLBSA-N -2 3 391.342 2.465 20 0 GEADHL Cc1ccc([C@@H](C[N-]S(=O)(=O)c2ccc(Br)cn2)C(=O)[O-])cc1 ZINC000832923158 600742951 /nfs/dbraw/zinc/74/29/51/600742951.db2.gz LQZRCUINQMFNMB-CYBMUJFWSA-N -2 3 399.266 2.299 20 0 GEADHL CCc1cc(C[N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2)on1 ZINC000546960177 600797517 /nfs/dbraw/zinc/79/75/17/600797517.db2.gz PPWVZSRAZBHUMU-UHFFFAOYSA-N -2 3 389.227 2.176 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1N1CCOC1=O ZINC000832950345 600868287 /nfs/dbraw/zinc/86/82/87/600868287.db2.gz KXXMROPKNCSUNG-UHFFFAOYSA-N -2 3 392.389 2.156 20 0 GEADHL Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000738398548 601071752 /nfs/dbraw/zinc/07/17/52/601071752.db2.gz OEKIMDJABKYUNC-CQSZACIVSA-N -2 3 380.404 2.150 20 0 GEADHL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000531194173 601126991 /nfs/dbraw/zinc/12/69/91/601126991.db2.gz JCLVXMYBFKAZGG-UHFFFAOYSA-N -3 3 379.390 2.211 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCCN(Cc3ccccc3)C2)cc1C(=O)[O-] ZINC000833027162 601216540 /nfs/dbraw/zinc/21/65/40/601216540.db2.gz DLFZKOJVEYZASV-HNNXBMFYSA-N -2 3 378.450 2.229 20 0 GEADHL COc1ccc(CCC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1OC ZINC000832299364 601218923 /nfs/dbraw/zinc/21/89/23/601218923.db2.gz AVQIYHRLQPMRLY-UHFFFAOYSA-N -2 3 383.422 2.215 20 0 GEADHL Cc1oc(S(=O)(=O)[N-]C2(c3ccc(F)cc3)CCOCC2)cc1C(=O)[O-] ZINC000833028941 601222219 /nfs/dbraw/zinc/22/22/19/601222219.db2.gz URBGOIDUWNZJQV-UHFFFAOYSA-N -2 3 383.397 2.410 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H](C)C(=O)[O-])oc1C ZINC000275078355 601224537 /nfs/dbraw/zinc/22/45/37/601224537.db2.gz YEURXYQCCYPTIY-BONVTDFDSA-N -2 3 381.406 2.115 20 0 GEADHL CC[C@](C)(CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)C1OCCO1 ZINC000828677982 601225654 /nfs/dbraw/zinc/22/56/54/601225654.db2.gz PONIICHJMWXOSV-MRXNPFEDSA-N -2 3 375.443 2.134 20 0 GEADHL CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1ccccc1 ZINC000830585229 601228364 /nfs/dbraw/zinc/22/83/64/601228364.db2.gz TWYKZRLHOATCHY-ZDUSSCGKSA-N -2 3 384.404 2.244 20 0 GEADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCCC2)c1F ZINC000831226193 601230643 /nfs/dbraw/zinc/23/06/43/601230643.db2.gz HTSOUCJRTMCEDF-UHFFFAOYSA-N -2 3 391.392 2.207 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCCN2CCc3ccccc32)c1F ZINC000833294232 601230743 /nfs/dbraw/zinc/23/07/43/601230743.db2.gz ODJYIYJNFBHGLO-UHFFFAOYSA-N -2 3 396.415 2.394 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCc2cc(F)ccc2F)c1F ZINC000833294411 601240921 /nfs/dbraw/zinc/24/09/21/601240921.db2.gz SBJYGFQICGWTSB-UHFFFAOYSA-N -2 3 377.315 2.462 20 0 GEADHL COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000438714486 601334621 /nfs/dbraw/zinc/33/46/21/601334621.db2.gz FCUQDJYQMMBPMR-UHFFFAOYSA-N -2 3 379.390 2.046 20 0 GEADHL COC(=O)[C@H]([N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000831078723 601388463 /nfs/dbraw/zinc/38/84/63/601388463.db2.gz OTSJWEONAWCQCR-OAHLLOKOSA-N -2 3 397.836 2.372 20 0 GEADHL Cc1nc(NC(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)sc1C(=O)[O-] ZINC000833003685 601436391 /nfs/dbraw/zinc/43/63/91/601436391.db2.gz MXZAURBTAKVGKN-UHFFFAOYSA-N -2 3 399.432 2.175 20 0 GEADHL COC[C@](C)([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000514789295 601805418 /nfs/dbraw/zinc/80/54/18/601805418.db2.gz KEOQIYWZOYITAC-AWEZNQCLSA-N -2 3 390.870 2.232 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]N=c2ccc(C(F)(F)F)c[nH]2)cc(F)c1F ZINC000833304015 601831627 /nfs/dbraw/zinc/83/16/27/601831627.db2.gz JVGIYPROZVYKHW-UHFFFAOYSA-N -2 3 397.281 2.382 20 0 GEADHL CC1(C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(OCC(=O)[O-])cc3)cc21 ZINC000828046054 601835614 /nfs/dbraw/zinc/83/56/14/601835614.db2.gz LQMJXZWHANKONQ-UHFFFAOYSA-N -2 3 390.417 2.181 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)CCN(C(=O)[O-])C(C)C)cc1OC ZINC000739515596 601880561 /nfs/dbraw/zinc/88/05/61/601880561.db2.gz NTBSXUYBJNKYFD-UHFFFAOYSA-N -2 3 387.458 2.174 20 0 GEADHL C[C@@H](C[C@H](O)c1ccccc1)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000827403283 601883517 /nfs/dbraw/zinc/88/35/17/601883517.db2.gz ALCYOBQYXNJYIZ-GWCFXTLKSA-N -2 3 385.388 2.454 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3ncon3)cc2)c1-c1nnn[n-]1 ZINC000826303821 607536382 /nfs/dbraw/zinc/53/63/82/607536382.db2.gz HELYCILCEADWGE-UHFFFAOYSA-N -2 3 383.393 2.026 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3ncon3)cc2)c1-c1nn[n-]n1 ZINC000826303821 607536384 /nfs/dbraw/zinc/53/63/84/607536384.db2.gz HELYCILCEADWGE-UHFFFAOYSA-N -2 3 383.393 2.026 20 0 GEADHL C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739040132 601991023 /nfs/dbraw/zinc/99/10/23/601991023.db2.gz QSVZRLQZYFFSJL-RKDXNWHRSA-N -2 3 382.269 2.445 20 0 GEADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(NC(=O)[O-])nc2)ccc1F ZINC000738862111 601992839 /nfs/dbraw/zinc/99/28/39/601992839.db2.gz JUCAABFMGUWORL-UHFFFAOYSA-N -2 3 396.400 2.250 20 0 GEADHL O=C([O-])c1ccc(COC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])s1 ZINC000833316043 602004501 /nfs/dbraw/zinc/00/45/01/602004501.db2.gz NDHVGPPCIFBIMR-CYBMUJFWSA-N -2 3 375.402 2.500 20 0 GEADHL CCc1cc(=O)[n-]c(CN2CCN([C@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)n1 ZINC000830224391 602235715 /nfs/dbraw/zinc/23/57/15/602235715.db2.gz MRGRTHZQQVLAMQ-SFHVURJKSA-N -2 3 390.871 2.342 20 0 GEADHL Cc1ccc(C(=O)NCCC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c([O-])c1 ZINC000832912106 602323720 /nfs/dbraw/zinc/32/37/20/602323720.db2.gz VDQQHTOAVLGEFZ-AUUYWEPGSA-N -2 3 384.432 2.399 20 0 GEADHL O=C([O-])N1CCC[C@H](C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)C1 ZINC000740513257 602539134 /nfs/dbraw/zinc/53/91/34/602539134.db2.gz USNUYUOQZHLECM-GFCCVEGCSA-N -2 3 381.479 2.478 20 0 GEADHL O=C([O-])N1CC[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000740505948 602568621 /nfs/dbraw/zinc/56/86/21/602568621.db2.gz HBBPBIMDUPFKAN-QMMMGPOBSA-N -2 3 383.651 2.133 20 0 GEADHL O=C([O-])N1CCC(n2cccc2C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000740459474 602698701 /nfs/dbraw/zinc/69/87/01/602698701.db2.gz LGWDXXLRJAYXSD-UHFFFAOYSA-N -2 3 381.396 2.235 20 0 GEADHL O=C([O-])N1CCC(n2cccc2C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000740459474 602698702 /nfs/dbraw/zinc/69/87/02/602698702.db2.gz LGWDXXLRJAYXSD-UHFFFAOYSA-N -2 3 381.396 2.235 20 0 GEADHL C[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739040861 602878004 /nfs/dbraw/zinc/87/80/04/602878004.db2.gz WVMBOLQJCQZWAY-RKDXNWHRSA-N -2 3 382.269 2.445 20 0 GEADHL O=C([O-])N1CCC[C@@H](CC[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)C1 ZINC000740507097 602880256 /nfs/dbraw/zinc/88/02/56/602880256.db2.gz NYXUNHBTXVVTNT-VIFPVBQESA-N -2 3 382.269 2.447 20 0 GEADHL CC(C)[C@@](C)(CNC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000738767889 603084475 /nfs/dbraw/zinc/08/44/75/603084475.db2.gz AEOKEUNTQBFKIK-LLVKDONJSA-N -2 3 385.305 2.471 20 0 GEADHL O=C([O-])NC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000832513864 603137627 /nfs/dbraw/zinc/13/76/27/603137627.db2.gz KVGMLGFDMVGCFJ-DTWKUNHWSA-N -2 3 382.269 2.493 20 0 GEADHL O=C([O-])NC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000832513862 603137638 /nfs/dbraw/zinc/13/76/38/603137638.db2.gz KVGMLGFDMVGCFJ-BDAKNGLRSA-N -2 3 382.269 2.493 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)cc1C(=O)N(C)C ZINC000738064125 603420045 /nfs/dbraw/zinc/42/00/45/603420045.db2.gz SQPKPDCRQANCSF-UHFFFAOYSA-N -2 3 393.421 2.288 20 0 GEADHL O=C([O-])N[C@@H]1CC[C@@H](C(=O)Nc2cc(I)ccc2[O-])C1 ZINC000832288946 603888000 /nfs/dbraw/zinc/88/80/00/603888000.db2.gz WMVFJVBDQNGDQC-VXNVDRBHSA-N -2 3 390.177 2.372 20 0 GEADHL CS(=O)(=O)[N-]c1ccccc1NC(=O)C[C@@H](Cc1ccccc1)NC(=O)[O-] ZINC000829692287 603945233 /nfs/dbraw/zinc/94/52/33/603945233.db2.gz ZOFPBZZSHDXUJA-CQSZACIVSA-N -2 3 391.449 2.266 20 0 GEADHL C[C@@H](C(=O)OCC(=O)[N-]C(=O)c1cccs1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823731376 604027457 /nfs/dbraw/zinc/02/74/57/604027457.db2.gz MAQDSJZSPWCZFD-ABAIWWIYSA-N -2 3 390.417 2.193 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)cc1OC ZINC000830136628 604288009 /nfs/dbraw/zinc/28/80/09/604288009.db2.gz AYMOYXRMKVNRRB-UHFFFAOYSA-N -2 3 395.437 2.352 20 0 GEADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1cc(C(=O)[O-])cs1 ZINC000832992902 604314155 /nfs/dbraw/zinc/31/41/55/604314155.db2.gz BFEKICXYGRVINZ-UHFFFAOYSA-N -2 3 384.417 2.471 20 0 GEADHL C[C@@H](Oc1ccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1)C(=O)[O-] ZINC000833537976 604573045 /nfs/dbraw/zinc/57/30/45/604573045.db2.gz AKTCSOXYNJKHLY-OAHLLOKOSA-N -2 3 384.432 2.202 20 0 GEADHL C[C@H](CC(=O)Nc1ccccc1[N-]S(C)(=O)=O)C1CCN(C(=O)[O-])CC1 ZINC000824703985 604677323 /nfs/dbraw/zinc/67/73/23/604677323.db2.gz VZLANIPGRXUWBR-GFCCVEGCSA-N -2 3 383.470 2.413 20 0 GEADHL Cc1nc(C2([N-]S(=O)(=O)c3ccc(F)cc3C(=O)[O-])CCCCC2)no1 ZINC000833755383 604684715 /nfs/dbraw/zinc/68/47/15/604684715.db2.gz KYVYXBYFBKRFNA-UHFFFAOYSA-N -2 3 383.401 2.353 20 0 GEADHL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-]c2ccc3nc(C)[nH]c3c2)c1 ZINC000833715462 604756932 /nfs/dbraw/zinc/75/69/32/604756932.db2.gz UXNOBIQLMLSSKR-UHFFFAOYSA-N -2 3 389.389 2.157 20 0 GEADHL CCc1nc(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])sc1C(=O)[O-] ZINC000833676787 605008122 /nfs/dbraw/zinc/00/81/22/605008122.db2.gz XBNHPNMKBNRXEJ-UHFFFAOYSA-N -2 3 377.422 2.176 20 0 GEADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000547940252 605042952 /nfs/dbraw/zinc/04/29/52/605042952.db2.gz IWFDUHXNUFTWNI-BZNIZROVSA-N -2 3 395.408 2.353 20 0 GEADHL CN(C(=O)[O-])C1CCN(C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000827858492 605190543 /nfs/dbraw/zinc/19/05/43/605190543.db2.gz QATAILJVUDQHFE-UHFFFAOYSA-N -2 3 386.246 2.439 20 0 GEADHL Cc1ccc([C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)N2CCCC2)cc1 ZINC000833749346 605201017 /nfs/dbraw/zinc/20/10/17/605201017.db2.gz RGMZAJDYWQQVSL-MRXNPFEDSA-N -2 3 378.450 2.402 20 0 GEADHL O=C([O-])N1CCc2cccc(CN3CCN(C(=O)c4ccc([O-])cc4)CC3)c21 ZINC000834288771 605529916 /nfs/dbraw/zinc/52/99/16/605529916.db2.gz XVZHRJTZHZYKDC-UHFFFAOYSA-N -2 3 381.432 2.391 20 0 GEADHL O=C([O-])N1CCC[C@H]1C(=O)Nc1cc(I)ccc1[O-] ZINC000831753260 605538856 /nfs/dbraw/zinc/53/88/56/605538856.db2.gz SKGXEDHGKIDWPM-VIFPVBQESA-N -2 3 376.150 2.078 20 0 GEADHL C[C@@H]1CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000833617865 605718630 /nfs/dbraw/zinc/71/86/30/605718630.db2.gz ICHKPLLZQHDDBF-CCKFTAQKSA-N -2 3 396.443 2.433 20 0 GEADHL O=C([O-])NCCCCC(=O)Nc1cc(I)ccc1[O-] ZINC000834236050 605929020 /nfs/dbraw/zinc/92/90/20/605929020.db2.gz ZFPKOGMAQQFHOC-UHFFFAOYSA-N -2 3 378.166 2.373 20 0 GEADHL O=S(=O)([N-]c1ccc2nc(C3CC3)oc2c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823589109 606205239 /nfs/dbraw/zinc/20/52/39/606205239.db2.gz NRQQNAVTUCVBHM-UHFFFAOYSA-N -2 3 383.393 2.081 20 0 GEADHL O=S(=O)([N-]c1ccc2nc(C3CC3)oc2c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823589109 606205241 /nfs/dbraw/zinc/20/52/41/606205241.db2.gz NRQQNAVTUCVBHM-UHFFFAOYSA-N -2 3 383.393 2.081 20 0 GEADHL Cc1ccc2ncccc2c1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1O ZINC000822284573 606210787 /nfs/dbraw/zinc/21/07/87/606210787.db2.gz VMLQAQJIKYACQF-UHFFFAOYSA-N -2 3 382.405 2.230 20 0 GEADHL O=S(=O)([N-]c1nccs1)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823589417 606357078 /nfs/dbraw/zinc/35/70/78/606357078.db2.gz YSSLDILSPIDSEH-UHFFFAOYSA-N -2 3 376.345 2.143 20 0 GEADHL O=S(=O)([N-]c1nccs1)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823589417 606357079 /nfs/dbraw/zinc/35/70/79/606357079.db2.gz YSSLDILSPIDSEH-UHFFFAOYSA-N -2 3 376.345 2.143 20 0 GEADHL Cc1ncccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822478462 606358234 /nfs/dbraw/zinc/35/82/34/606358234.db2.gz SDGWHVISDOVZLN-UHFFFAOYSA-N -2 3 384.343 2.390 20 0 GEADHL Cc1ncccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822478462 606358236 /nfs/dbraw/zinc/35/82/36/606358236.db2.gz SDGWHVISDOVZLN-UHFFFAOYSA-N -2 3 384.343 2.390 20 0 GEADHL Cc1ccnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000822379475 606358490 /nfs/dbraw/zinc/35/84/90/606358490.db2.gz ONBRXCMKDCQANR-UHFFFAOYSA-N -2 3 384.343 2.390 20 0 GEADHL Cc1ccnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000822379475 606358492 /nfs/dbraw/zinc/35/84/92/606358492.db2.gz ONBRXCMKDCQANR-UHFFFAOYSA-N -2 3 384.343 2.390 20 0 GEADHL CCCCCc1nnc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000821061097 606468416 /nfs/dbraw/zinc/46/84/16/606468416.db2.gz MTNTUQRDCHOMCG-UHFFFAOYSA-N -2 3 379.471 2.252 20 0 GEADHL CCCCCc1nnc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000821061097 606468418 /nfs/dbraw/zinc/46/84/18/606468418.db2.gz MTNTUQRDCHOMCG-UHFFFAOYSA-N -2 3 379.471 2.252 20 0 GEADHL CCCCc1nnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000821081889 606468876 /nfs/dbraw/zinc/46/88/76/606468876.db2.gz DHFRTESYRYYWNP-UHFFFAOYSA-N -2 3 383.434 2.001 20 0 GEADHL CCCCc1nnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000821081889 606468878 /nfs/dbraw/zinc/46/88/78/606468878.db2.gz DHFRTESYRYYWNP-UHFFFAOYSA-N -2 3 383.434 2.001 20 0 GEADHL CC(C)(C)n1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cccc(Cl)c2F)n1 ZINC000819971019 606606352 /nfs/dbraw/zinc/60/63/52/606606352.db2.gz ASCAJDBOUYOULI-UHFFFAOYSA-N -2 3 399.839 2.412 20 0 GEADHL Cc1ccncc1[N-]S(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000822378984 606638173 /nfs/dbraw/zinc/63/81/73/606638173.db2.gz IMNDPTLZMQLNCX-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL Cc1ccncc1[N-]S(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000822378984 606638174 /nfs/dbraw/zinc/63/81/74/606638174.db2.gz IMNDPTLZMQLNCX-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL COc1cc(OC)c([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cc1F ZINC000821724422 606710531 /nfs/dbraw/zinc/71/05/31/606710531.db2.gz VAZJDTWTDWNTFS-UHFFFAOYSA-N -2 3 393.400 2.132 20 0 GEADHL CC(C)CC1(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC000820063610 606746086 /nfs/dbraw/zinc/74/60/86/606746086.db2.gz XJOISPNEDIUTEL-UHFFFAOYSA-N -2 3 377.470 2.278 20 0 GEADHL CC(C)CC1(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC000820063610 606746088 /nfs/dbraw/zinc/74/60/88/606746088.db2.gz XJOISPNEDIUTEL-UHFFFAOYSA-N -2 3 377.470 2.278 20 0 GEADHL CCS(=O)(=O)[N-]C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000821440732 606839779 /nfs/dbraw/zinc/83/97/79/606839779.db2.gz AWMGSCNGBLHGKZ-UHFFFAOYSA-N -2 3 387.421 2.047 20 0 GEADHL CCS(=O)(=O)[N-]C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000821440732 606839780 /nfs/dbraw/zinc/83/97/80/606839780.db2.gz AWMGSCNGBLHGKZ-UHFFFAOYSA-N -2 3 387.421 2.047 20 0 GEADHL COc1ccc(C)cc1[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821782717 606864205 /nfs/dbraw/zinc/86/42/05/606864205.db2.gz LNJMPHLBDHKRGI-UHFFFAOYSA-N -2 3 381.364 2.263 20 0 GEADHL COc1ccc(C)cc1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821782717 606864207 /nfs/dbraw/zinc/86/42/07/606864207.db2.gz LNJMPHLBDHKRGI-UHFFFAOYSA-N -2 3 381.364 2.263 20 0 GEADHL Cn1ccc2ccc([N-]S(=O)(=O)c3c(F)cc(-c4nnn[n-]4)cc3F)cc21 ZINC000822688814 606866653 /nfs/dbraw/zinc/86/66/53/606866653.db2.gz AOMLADGFZBGSMA-UHFFFAOYSA-N -2 3 390.375 2.437 20 0 GEADHL Cn1ccc2ccc([N-]S(=O)(=O)c3c(F)cc(-c4nn[n-]n4)cc3F)cc21 ZINC000822688814 606866655 /nfs/dbraw/zinc/86/66/55/606866655.db2.gz AOMLADGFZBGSMA-UHFFFAOYSA-N -2 3 390.375 2.437 20 0 GEADHL O=S(=O)([N-][C@@H]1CSc2ccccc21)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823573655 606892676 /nfs/dbraw/zinc/89/26/76/606892676.db2.gz YJEOIPFYVYJTSA-GFCCVEGCSA-N -2 3 395.416 2.270 20 0 GEADHL Cc1cccc(F)c1C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822309428 606894338 /nfs/dbraw/zinc/89/43/38/606894338.db2.gz YFFJAXOQHZAEAL-UHFFFAOYSA-N -2 3 383.355 2.071 20 0 GEADHL CC(C)CCn1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000820081884 607001744 /nfs/dbraw/zinc/00/17/44/607001744.db2.gz ZWUMSNQHHJFJLU-UHFFFAOYSA-N -2 3 379.421 2.049 20 0 GEADHL CC(C)CCn1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000820081884 607001746 /nfs/dbraw/zinc/00/17/46/607001746.db2.gz ZWUMSNQHHJFJLU-UHFFFAOYSA-N -2 3 379.421 2.049 20 0 GEADHL C[C@@H]1CC[C@@H](CC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820683874 607094787 /nfs/dbraw/zinc/09/47/87/607094787.db2.gz IQNLJFRZGCRREX-NXEZZACHSA-N -2 3 383.861 2.151 20 0 GEADHL C[C@@H]1CC[C@@H](CC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820683874 607094788 /nfs/dbraw/zinc/09/47/88/607094788.db2.gz IQNLJFRZGCRREX-NXEZZACHSA-N -2 3 383.861 2.151 20 0 GEADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000820541562 607103481 /nfs/dbraw/zinc/10/34/81/607103481.db2.gz GSFBLNXQLGHJCF-XJKSGUPXSA-N -2 3 395.419 2.356 20 0 GEADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000820541562 607103482 /nfs/dbraw/zinc/10/34/82/607103482.db2.gz GSFBLNXQLGHJCF-XJKSGUPXSA-N -2 3 395.419 2.356 20 0 GEADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000820541246 607108059 /nfs/dbraw/zinc/10/80/59/607108059.db2.gz CRBLWBYYNNFPRO-GDZNZVCISA-N -2 3 395.419 2.212 20 0 GEADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000820541246 607108061 /nfs/dbraw/zinc/10/80/61/607108061.db2.gz CRBLWBYYNNFPRO-GDZNZVCISA-N -2 3 395.419 2.212 20 0 GEADHL C[C@@H](c1ccccc1)n1ccc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000820570410 607112409 /nfs/dbraw/zinc/11/24/09/607112409.db2.gz JIHAFKPQYDQBAH-ZDUSSCGKSA-N -2 3 395.448 2.473 20 0 GEADHL C[C@@H](c1ccccc1)n1ccc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000820570410 607112410 /nfs/dbraw/zinc/11/24/10/607112410.db2.gz JIHAFKPQYDQBAH-ZDUSSCGKSA-N -2 3 395.448 2.473 20 0 GEADHL Cc1cc(Br)cnc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822159748 607122469 /nfs/dbraw/zinc/12/24/69/607122469.db2.gz CRDSGNDIVCIYAG-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL CCOC(=O)c1sc2[n-]c([C@@H](C)Sc3n[nH]c(=O)[n-]3)nc(=O)c2c1C ZINC000446082335 649970943 /nfs/dbraw/zinc/97/09/43/649970943.db2.gz XTPIKKLAISWTQJ-ZCFIWIBFSA-N -2 3 381.439 2.147 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)n[nH]c1C1CC1 ZINC000822021416 607152530 /nfs/dbraw/zinc/15/25/30/607152530.db2.gz ZTJPFLQZENBVRS-UHFFFAOYSA-N -2 3 379.833 2.230 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)n[nH]c1C1CC1 ZINC000822021416 607152531 /nfs/dbraw/zinc/15/25/31/607152531.db2.gz ZTJPFLQZENBVRS-UHFFFAOYSA-N -2 3 379.833 2.230 20 0 GEADHL Cc1ccc(Cl)cc1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826289117 607806447 /nfs/dbraw/zinc/80/64/47/607806447.db2.gz LCBXBHGXLXIYLM-UHFFFAOYSA-N -2 3 391.840 2.088 20 0 GEADHL Cc1ccc(Cl)cc1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826289117 607806448 /nfs/dbraw/zinc/80/64/48/607806448.db2.gz LCBXBHGXLXIYLM-UHFFFAOYSA-N -2 3 391.840 2.088 20 0 GEADHL Cc1cccc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1Cl ZINC000826296130 607843027 /nfs/dbraw/zinc/84/30/27/607843027.db2.gz KFTPOCSIBMYFNI-UHFFFAOYSA-N -2 3 391.840 2.088 20 0 GEADHL Cc1cccc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1Cl ZINC000826296130 607843028 /nfs/dbraw/zinc/84/30/28/607843028.db2.gz KFTPOCSIBMYFNI-UHFFFAOYSA-N -2 3 391.840 2.088 20 0 GEADHL CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1C ZINC000824024620 607982463 /nfs/dbraw/zinc/98/24/63/607982463.db2.gz MOZPFRYLEGXXGP-UHFFFAOYSA-N -2 3 375.385 2.318 20 0 GEADHL CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000824024620 607982464 /nfs/dbraw/zinc/98/24/64/607982464.db2.gz MOZPFRYLEGXXGP-UHFFFAOYSA-N -2 3 375.385 2.318 20 0 GEADHL Cc1ncc(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826329517 608017548 /nfs/dbraw/zinc/01/75/48/608017548.db2.gz GWWLDXLQMQANGG-UHFFFAOYSA-N -2 3 393.432 2.433 20 0 GEADHL O=C(OCc1n[nH]c(=O)[n-]1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000826467542 608452414 /nfs/dbraw/zinc/45/24/14/608452414.db2.gz AVXAJYHKQJNILR-UHFFFAOYSA-N -2 3 395.404 2.199 20 0 GEADHL O=C(OCc1n[nH]c(=O)[n-]1)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000826467542 608452415 /nfs/dbraw/zinc/45/24/15/608452415.db2.gz AVXAJYHKQJNILR-UHFFFAOYSA-N -2 3 395.404 2.199 20 0 GEADHL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1C ZINC000825081203 608582241 /nfs/dbraw/zinc/58/22/41/608582241.db2.gz HKJZTVVPJRLZKQ-MRVPVSSYSA-N -2 3 397.411 2.422 20 0 GEADHL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1C ZINC000825081203 608582242 /nfs/dbraw/zinc/58/22/42/608582242.db2.gz HKJZTVVPJRLZKQ-MRVPVSSYSA-N -2 3 397.411 2.422 20 0 GEADHL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)cc1C ZINC000825082644 608582247 /nfs/dbraw/zinc/58/22/47/608582247.db2.gz UJJKFUOSQFBBMN-LLVKDONJSA-N -2 3 375.458 2.452 20 0 GEADHL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cc1C ZINC000825082644 608582248 /nfs/dbraw/zinc/58/22/48/608582248.db2.gz UJJKFUOSQFBBMN-LLVKDONJSA-N -2 3 375.458 2.452 20 0 GEADHL C[C@H]1CC(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C[C@H](C)C1 ZINC000824877624 609146670 /nfs/dbraw/zinc/14/66/70/609146670.db2.gz ZIUABXOVTSZTSM-NXEZZACHSA-N -2 3 397.888 2.397 20 0 GEADHL C[C@H]1CC(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C[C@H](C)C1 ZINC000824877624 609146671 /nfs/dbraw/zinc/14/66/71/609146671.db2.gz ZIUABXOVTSZTSM-NXEZZACHSA-N -2 3 397.888 2.397 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000826279430 609148203 /nfs/dbraw/zinc/14/82/03/609148203.db2.gz POEKHYCEMCLGSG-YABSGUDNSA-N -2 3 377.470 2.052 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000826279430 609148204 /nfs/dbraw/zinc/14/82/04/609148204.db2.gz POEKHYCEMCLGSG-YABSGUDNSA-N -2 3 377.470 2.052 20 0 GEADHL Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1O ZINC000826295371 609313176 /nfs/dbraw/zinc/31/31/76/609313176.db2.gz DUYZBHOTIUVBBP-UHFFFAOYSA-N -2 3 382.405 2.230 20 0 GEADHL CCc1cnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)o1 ZINC000825733333 609341479 /nfs/dbraw/zinc/34/14/79/609341479.db2.gz CMSUQQRDEUECLC-UHFFFAOYSA-N -2 3 388.331 2.237 20 0 GEADHL CCc1cnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)o1 ZINC000825733333 609341481 /nfs/dbraw/zinc/34/14/81/609341481.db2.gz CMSUQQRDEUECLC-UHFFFAOYSA-N -2 3 388.331 2.237 20 0 GEADHL CC1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CCCCCC1 ZINC000824783395 609352881 /nfs/dbraw/zinc/35/28/81/609352881.db2.gz GJDRXHPXNQPLTP-UHFFFAOYSA-N -2 3 377.470 2.173 20 0 GEADHL CC1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CCCCCC1 ZINC000824783395 609352883 /nfs/dbraw/zinc/35/28/83/609352883.db2.gz GJDRXHPXNQPLTP-UHFFFAOYSA-N -2 3 377.470 2.173 20 0 GEADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)c(Cl)c2)cn1 ZINC000825642901 609382433 /nfs/dbraw/zinc/38/24/33/609382433.db2.gz DYUFCLJXQVRDBE-UHFFFAOYSA-N -2 3 380.817 2.115 20 0 GEADHL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000824384398 609468649 /nfs/dbraw/zinc/46/86/49/609468649.db2.gz BJBMGZJUHSLWCR-LLVKDONJSA-N -3 3 387.421 2.246 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)nn1[C@H](C)C1CC1 ZINC000826255778 609469528 /nfs/dbraw/zinc/46/95/28/609469528.db2.gz KHTSOJGQCADBFR-GFCCVEGCSA-N -2 3 387.469 2.452 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)nn1[C@H](C)C1CC1 ZINC000826255778 609469530 /nfs/dbraw/zinc/46/95/30/609469530.db2.gz KHTSOJGQCADBFR-GFCCVEGCSA-N -2 3 387.469 2.452 20 0 GEADHL O=S(=O)([N-]c1ccc2c(c1)OCCO2)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826493095 609524947 /nfs/dbraw/zinc/52/49/47/609524947.db2.gz TUIHQUBTYREBJA-UHFFFAOYSA-N -2 3 393.812 2.092 20 0 GEADHL O=S(=O)([N-]c1ccc2c(c1)OCCO2)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826493095 609524950 /nfs/dbraw/zinc/52/49/50/609524950.db2.gz TUIHQUBTYREBJA-UHFFFAOYSA-N -2 3 393.812 2.092 20 0 GEADHL Cc1ccc(CO)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826288326 609528499 /nfs/dbraw/zinc/52/84/99/609528499.db2.gz BJXZGROHHJCOAG-UHFFFAOYSA-N -2 3 379.829 2.122 20 0 GEADHL Cc1ccc(CO)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826288326 609528500 /nfs/dbraw/zinc/52/85/00/609528500.db2.gz BJXZGROHHJCOAG-UHFFFAOYSA-N -2 3 379.829 2.122 20 0 GEADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](CCC(C)(C)C)C(=O)[O-] ZINC000485062734 650692516 /nfs/dbraw/zinc/69/25/16/650692516.db2.gz ZWDZSCMTMPFVKP-LBPRGKRZSA-N -2 3 375.418 2.170 20 0 GEADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2csc(-c3ccc(F)cc3)n2)s1 ZINC000492128939 650790194 /nfs/dbraw/zinc/79/01/94/650790194.db2.gz SWFGSTQCSVUBRU-UHFFFAOYSA-N -2 3 399.454 2.425 20 0 GEADHL CCc1ncsc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)CC)c(F)c1 ZINC000498020976 650845764 /nfs/dbraw/zinc/84/57/64/650845764.db2.gz XXPGBSZNVWDFFW-UHFFFAOYSA-N -2 3 393.487 2.407 20 0 GEADHL COc1cncc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Br)c1 ZINC000540983538 650867107 /nfs/dbraw/zinc/86/71/07/650867107.db2.gz XGZIGUXHXYAMNY-UHFFFAOYSA-N -2 3 387.211 2.352 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-][N-]C(=O)CCc2ccco2)c1Br ZINC000152442731 643968384 /nfs/dbraw/zinc/96/83/84/643968384.db2.gz KIWFBHFHUODJRW-UHFFFAOYSA-N -2 3 387.255 2.293 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-]C2(C(=O)[O-])CCC(C)(C)CC2)s1 ZINC000542860396 650892577 /nfs/dbraw/zinc/89/25/77/650892577.db2.gz XARWNYRPMFZPHJ-UHFFFAOYSA-N -2 3 375.468 2.237 20 0 GEADHL Cc1cc(Br)cc(S(=O)(=O)[N-][N-]C(=O)c2ncccc2C)c1 ZINC000188484789 645115641 /nfs/dbraw/zinc/11/56/41/645115641.db2.gz PWUSCHKZUSTZAJ-UHFFFAOYSA-N -2 3 384.255 2.084 20 0 GEADHL Cc1cccnc1C(=O)[N-][N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000190332032 645152241 /nfs/dbraw/zinc/15/22/41/645152241.db2.gz ZNDCIHKLQFFSNM-UHFFFAOYSA-N -2 3 378.212 2.459 20 0 GEADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC)C(=O)[O-] ZINC000261622065 645591843 /nfs/dbraw/zinc/59/18/43/645591843.db2.gz CGRXRCUNMYTHDU-CABZTGNLSA-N -2 3 385.463 2.466 20 0 GEADHL O=C([O-])[C@H](Cc1ccco1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000547889614 651051729 /nfs/dbraw/zinc/05/17/29/651051729.db2.gz UQJDZTOFWVVVAS-NSHDSACASA-N -2 3 381.303 2.412 20 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O=C([O-])[C@H]1CC[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000194487788 532452135 /nfs/dbraw/zinc/45/21/35/532452135.db2.gz OAJATVQHKLMWGA-WCBMZHEXSA-N -2 3 379.210 2.274 20 0 GEADHL COc1cccc(CSC[C@H]([N-]S(=O)(=O)c2ccc(C)o2)C(=O)[O-])c1 ZINC000593258993 532478704 /nfs/dbraw/zinc/47/87/04/532478704.db2.gz SYVGYZPXQFDMPO-AWEZNQCLSA-N -2 3 385.463 2.262 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2)c(F)c1 ZINC000430004360 532486911 /nfs/dbraw/zinc/48/69/11/532486911.db2.gz KLEPYMYDZUOBOA-DZGCQCFKSA-N -2 3 384.454 2.032 20 0 GEADHL CSCC[C@H]([N-]S(=O)(=O)c1ccc(Br)c(F)c1)C(=O)[O-] ZINC000230012402 532490893 /nfs/dbraw/zinc/49/08/93/532490893.db2.gz BKOYKVYBEBGOMX-JTQLQIEISA-N -2 3 386.264 2.073 20 0 GEADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2ccc(Br)c(F)c2)o1 ZINC000230099630 532491007 /nfs/dbraw/zinc/49/10/07/532491007.db2.gz DDNYQCPWENPNDQ-UHFFFAOYSA-N -2 3 378.175 2.358 20 0 GEADHL CCOc1ccc(C[C@H](C[N-]S(=O)(=O)c2cnc(C)s2)C(=O)[O-])cc1 ZINC000521038634 532503130 /nfs/dbraw/zinc/50/31/30/532503130.db2.gz BGFQUMFEJUJGHT-CYBMUJFWSA-N -2 3 384.479 2.072 20 0 GEADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1cscc1Br)C(F)F ZINC000630418722 532517588 /nfs/dbraw/zinc/51/75/88/532517588.db2.gz TYAAMZDNUJZMOR-YFKPBYRVSA-N -2 3 378.216 2.145 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)[C@H]1CCCO1 ZINC000630421338 532518635 /nfs/dbraw/zinc/51/86/35/532518635.db2.gz DSZSMVJNWQVOPK-KOLCDFICSA-N -2 3 398.662 2.013 20 0 GEADHL COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]C1(C(=O)[O-])CCC1 ZINC000282810564 532498832 /nfs/dbraw/zinc/49/88/32/532498832.db2.gz KUOOVALPZGEFLJ-UHFFFAOYSA-N -2 3 377.846 2.041 20 0 GEADHL COc1cc(Br)c(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)cc1Cl ZINC000282840506 532500711 /nfs/dbraw/zinc/50/07/11/532500711.db2.gz NBSNVHMZEOVTHR-UHFFFAOYSA-N -2 3 398.662 2.397 20 0 GEADHL Cc1nc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(Cl)cc2Cl)cn1C ZINC000564858726 532536024 /nfs/dbraw/zinc/53/60/24/532536024.db2.gz BQERFNBEAFVEPE-LBPRGKRZSA-N -2 3 378.237 2.140 20 0 GEADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000564918900 532536904 /nfs/dbraw/zinc/53/69/04/532536904.db2.gz NZGQBUNPKHSUHQ-NILFDRSVSA-N -2 3 379.459 2.462 20 0 GEADHL COC(=O)c1nscc1S(=O)(=O)[N-]CCC1(CC(=O)[O-])CCCCC1 ZINC000565407379 532562422 /nfs/dbraw/zinc/56/24/22/532562422.db2.gz ZHTMNDMBUCYMIR-UHFFFAOYSA-N -2 3 390.483 2.023 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]C(C)(C)CCC(=O)OC(C)(C)C)oc1C(=O)[O-] ZINC000596086832 532585005 /nfs/dbraw/zinc/58/50/05/532585005.db2.gz BPQDHFCSMVWZPD-UHFFFAOYSA-N -2 3 375.443 2.465 20 0 GEADHL COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C ZINC000262365403 532590169 /nfs/dbraw/zinc/59/01/69/532590169.db2.gz DLMXXKUUGXPHBS-CQSZACIVSA-N -2 3 379.862 2.143 20 0 GEADHL CCCC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C(=O)[O-] ZINC000262463187 532594853 /nfs/dbraw/zinc/59/48/53/532594853.db2.gz MZXAPAPWCGQNLA-NSHDSACASA-N -2 3 380.825 2.359 20 0 GEADHL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000433617638 532574447 /nfs/dbraw/zinc/57/44/47/532574447.db2.gz MCIKCNHRWHPVNW-UHFFFAOYSA-N -2 3 388.442 2.315 20 0 GEADHL Cc1c([C@H]([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)C(=O)[O-])cnn1C ZINC000530435515 532619124 /nfs/dbraw/zinc/61/91/24/532619124.db2.gz MCILWTIKCHMVSL-LBPRGKRZSA-N -2 3 396.227 2.279 20 0 GEADHL Cc1c([C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C(=O)[O-])cnn1C ZINC000530435488 532619478 /nfs/dbraw/zinc/61/94/78/532619478.db2.gz KKMBRCPHDCYRTF-NSHDSACASA-N -2 3 378.237 2.140 20 0 GEADHL CC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1)C(=O)[O-] ZINC000566172846 532597638 /nfs/dbraw/zinc/59/76/38/532597638.db2.gz HAYSTGQQQIPTJL-BDJLRTHQSA-N -2 3 391.873 2.287 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-][C@H](C[C@@H]2CCCO2)C(F)(F)F)cc1C(=O)[O-] ZINC000656181599 532608704 /nfs/dbraw/zinc/60/87/04/532608704.db2.gz UQUKGFKHJXIPJF-GXFFZTMASA-N -2 3 381.372 2.472 20 0 GEADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-][C@H](C[C@@H]2CCCO2)C(F)(F)F)cc1 ZINC000656180814 532609069 /nfs/dbraw/zinc/60/90/69/532609069.db2.gz MEQISGVZGHDRPC-WCQYABFASA-N -2 3 381.372 2.092 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-][C@@H](C[C@H]2CCCO2)C(F)(F)F)c(C(=O)[O-])c1 ZINC000656180227 532609154 /nfs/dbraw/zinc/60/91/54/532609154.db2.gz FJDMJLRGEADVBC-MFKMUULPSA-N -2 3 381.372 2.472 20 0 GEADHL CCn1cc(S(=O)(=O)[N-][C@H](CCSc2ccccc2)C(=O)[O-])nc1C ZINC000567037925 532636720 /nfs/dbraw/zinc/63/67/20/532636720.db2.gz IPNWFSIGEOWIGK-CQSZACIVSA-N -2 3 383.495 2.125 20 0 GEADHL CCn1cc(S(=O)(=O)[N-][C@@H](CCSc2ccccc2)C(=O)[O-])nc1C ZINC000567037924 532637481 /nfs/dbraw/zinc/63/74/81/532637481.db2.gz IPNWFSIGEOWIGK-AWEZNQCLSA-N -2 3 383.495 2.125 20 0 GEADHL COCC[C@H]([N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC)c1ccc(C)o1 ZINC000567792827 532664824 /nfs/dbraw/zinc/66/48/24/532664824.db2.gz QZLVNKDUYQTOSX-JTQLQIEISA-N -2 3 389.451 2.412 20 0 GEADHL O=C([O-])C[C@@H](CC[N-]S(=O)(=O)c1cccc2nsnc21)C(F)(F)F ZINC000285291948 532667197 /nfs/dbraw/zinc/66/71/97/532667197.db2.gz XKKXXBKBOPTWBG-SSDOTTSWSA-N -2 3 383.373 2.013 20 0 GEADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C1(C(=O)[O-])CCCC1 ZINC000534783764 532672549 /nfs/dbraw/zinc/67/25/49/532672549.db2.gz OZLPKDCPLUJSHS-UHFFFAOYSA-N -2 3 383.447 2.364 20 0 GEADHL C[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000285558378 532690084 /nfs/dbraw/zinc/69/00/84/532690084.db2.gz SWNRSJYIFLKCDM-JGVFFNPUSA-N -2 3 398.300 2.160 20 0 GEADHL C[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000285558381 532690652 /nfs/dbraw/zinc/69/06/52/532690652.db2.gz SWNRSJYIFLKCDM-SFYZADRCSA-N -2 3 398.300 2.160 20 0 GEADHL C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C[C@@H](C)C1 ZINC000606908826 532703680 /nfs/dbraw/zinc/70/36/80/532703680.db2.gz BKVGEXIJASNGBR-PJXYFTJBSA-N -2 3 378.491 2.300 20 0 GEADHL COc1ccc(Br)cc1S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-] ZINC000384953586 532703897 /nfs/dbraw/zinc/70/38/97/532703897.db2.gz BTLJEHVHYVPJCO-UHFFFAOYSA-N -2 3 380.260 2.237 20 0 GEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@H](C)c1cnn(C)c1C ZINC000392728964 532708698 /nfs/dbraw/zinc/70/86/98/532708698.db2.gz UTVUBTKRGNFGFU-MRVPVSSYSA-N -2 3 387.845 2.128 20 0 GEADHL CCc1cnc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2OC)s1 ZINC000575056684 532717035 /nfs/dbraw/zinc/71/70/35/532717035.db2.gz MMHSEAFMKGZPHS-UHFFFAOYSA-N -2 3 388.442 2.072 20 0 GEADHL Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(F)c([N-]S(C)(=O)=O)c2)s1 ZINC000267513194 532743347 /nfs/dbraw/zinc/74/33/47/532743347.db2.gz RXYOJKDYNLFXIX-UHFFFAOYSA-N -2 3 379.460 2.071 20 0 GEADHL Cc1cc(C)n(C[C@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)C(=O)[O-])n1 ZINC000579903426 532744102 /nfs/dbraw/zinc/74/41/02/532744102.db2.gz UFFOIOZXXPFNDC-VIFPVBQESA-N -2 3 397.400 2.012 20 0 GEADHL COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000581357148 532754401 /nfs/dbraw/zinc/75/44/01/532754401.db2.gz DXVCZWYIZBNSLC-RYUDHWBXSA-N -2 3 381.431 2.126 20 0 GEADHL O=C([O-])[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000312717202 532778855 /nfs/dbraw/zinc/77/88/55/532778855.db2.gz ULCMJYIVNDFDEM-QMMMGPOBSA-N -2 3 376.150 2.133 20 0 GEADHL O=S(=O)(NCc1nnc(C(F)(F)F)[n-]1)c1cc(C(F)(F)F)ccc1[O-] ZINC000451408587 532764768 /nfs/dbraw/zinc/76/47/68/532764768.db2.gz NZDDNLMOSFHJJO-UHFFFAOYSA-N -2 3 390.265 2.026 20 0 GEADHL O=S(=O)(NCc1n[n-]c(C(F)(F)F)n1)c1cc(C(F)(F)F)ccc1[O-] ZINC000451408587 532764773 /nfs/dbraw/zinc/76/47/73/532764773.db2.gz NZDDNLMOSFHJJO-UHFFFAOYSA-N -2 3 390.265 2.026 20 0 GEADHL O=S(=O)(NCc1nc(C(F)(F)F)n[n-]1)c1cc(C(F)(F)F)ccc1[O-] ZINC000451408587 532764777 /nfs/dbraw/zinc/76/47/77/532764777.db2.gz NZDDNLMOSFHJJO-UHFFFAOYSA-N -2 3 390.265 2.026 20 0 GEADHL CNS(=O)(=O)c1cc(NC(=O)c2cn[n-]c2-c2ccsc2)ccc1[O-] ZINC000509071096 532766014 /nfs/dbraw/zinc/76/60/14/532766014.db2.gz VGOQJDVUPNPGOO-UHFFFAOYSA-N -2 3 378.435 2.004 20 0 GEADHL CNS(=O)(=O)c1cc(NC(=O)c2c[n-]nc2-c2ccsc2)ccc1[O-] ZINC000509071096 532766016 /nfs/dbraw/zinc/76/60/16/532766016.db2.gz VGOQJDVUPNPGOO-UHFFFAOYSA-N -2 3 378.435 2.004 20 0 GEADHL O=C([O-])c1ccccc1CC[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000315444041 532782292 /nfs/dbraw/zinc/78/22/92/532782292.db2.gz QXGSDVKMJSMYCB-UHFFFAOYSA-N -2 3 385.239 2.063 20 0 GEADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000316353389 532783085 /nfs/dbraw/zinc/78/30/85/532783085.db2.gz OZIAIKZMSXSPDQ-GXSJLCMTSA-N -2 3 392.271 2.379 20 0 GEADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCCC[C@@]1(C)C(=O)[O-] ZINC000547566400 532786559 /nfs/dbraw/zinc/78/65/59/532786559.db2.gz VEYAPZZBBOQKMZ-XJKSGUPXSA-N -2 3 389.857 2.438 20 0 GEADHL N#Cc1ccc(S(=O)(=O)[N-][C@@H](CC(=O)c2cccs2)C(=O)[O-])c(Cl)c1 ZINC000547571052 532787123 /nfs/dbraw/zinc/78/71/23/532787123.db2.gz RMQLAGHDQUEFEW-NSHDSACASA-N -2 3 398.849 2.278 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(Cl)c2)c(C)o1 ZINC000547614458 532787234 /nfs/dbraw/zinc/78/72/34/532787234.db2.gz MEUMTIXBCHCVIU-ZDUSSCGKSA-N -2 3 387.797 2.132 20 0 GEADHL Cc1nn2cc(S(=O)(=O)[N-][C@@H](C)CCC[C@H](C)C(=O)[O-])cnc2c1Cl ZINC000547613226 532787394 /nfs/dbraw/zinc/78/73/94/532787394.db2.gz ZXCHVRIKSONOTG-UWVGGRQHSA-N -2 3 388.877 2.249 20 0 GEADHL COC(=O)CC[C@@H]([N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl)C(=O)[O-] ZINC000325331120 532789373 /nfs/dbraw/zinc/78/93/73/532789373.db2.gz GIHKDHPRONBBDL-SNVBAGLBSA-N -2 3 398.264 2.295 20 0 GEADHL CC[C@@](C)(C[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC)C(=O)[O-] ZINC000548221961 532790049 /nfs/dbraw/zinc/79/00/49/532790049.db2.gz IEVBNOCMMPZCIV-INIZCTEOSA-N -2 3 385.463 2.467 20 0 GEADHL CCOC[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC)C(C)C ZINC000325925263 532790201 /nfs/dbraw/zinc/79/02/01/532790201.db2.gz DTZLNDBYHMQQFV-LBPRGKRZSA-N -2 3 379.862 2.386 20 0 GEADHL COc1ccc(OC)c(S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F)c1 ZINC000327937758 532793317 /nfs/dbraw/zinc/79/33/17/532793317.db2.gz QDERVQJDPFOFQG-VIFPVBQESA-N -2 3 385.360 2.025 20 0 GEADHL CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)on1 ZINC000269398622 532781147 /nfs/dbraw/zinc/78/11/47/532781147.db2.gz YNHOELSPZVZLIQ-UHFFFAOYSA-N -2 3 391.446 2.284 20 0 GEADHL CCOc1cc([N-]S(=O)(=O)CC(C)(C)OC)c(C(=O)[O-])cc1OCC ZINC000414380979 532823230 /nfs/dbraw/zinc/82/32/30/532823230.db2.gz LXFBMEMHWXOAQE-UHFFFAOYSA-N -2 3 375.443 2.349 20 0 GEADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Br)[C@@H]1CCCO1 ZINC000273659564 532829783 /nfs/dbraw/zinc/82/97/83/532829783.db2.gz HTKGHFVRKNSCKK-HQJQHLMTSA-N -2 3 396.234 2.132 20 0 GEADHL C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Br)CCO1 ZINC000273691037 532831023 /nfs/dbraw/zinc/83/10/23/532831023.db2.gz MCJXHMAZVSKTAK-JGVFFNPUSA-N -2 3 396.234 2.132 20 0 GEADHL COc1cc(Br)c(S(=O)(=O)[N-]C[C@@H](C)C(=O)[O-])cc1Cl ZINC000274889445 532859221 /nfs/dbraw/zinc/85/92/21/532859221.db2.gz FPFNNJZMSMGPOB-ZCFIWIBFSA-N -2 3 386.651 2.110 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCC[C@H](C)C(=O)[O-])cc1Cl ZINC000274917286 532859780 /nfs/dbraw/zinc/85/97/80/532859780.db2.gz AGYKSJGYCOADAS-QMMMGPOBSA-N -2 3 380.825 2.217 20 0 GEADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CCC[C@@H](C)C(=O)[O-] ZINC000274917303 532859809 /nfs/dbraw/zinc/85/98/09/532859809.db2.gz AIFADFBZVWLOLV-MRVPVSSYSA-N -2 3 398.250 2.376 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC[C@H](C)CC(=O)[O-])cc1Cl ZINC000275014072 532861309 /nfs/dbraw/zinc/86/13/09/532861309.db2.gz NUHNJXXGGGIPOK-QMMMGPOBSA-N -2 3 380.825 2.217 20 0 GEADHL CCC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(=O)[O-] ZINC000275028462 532861660 /nfs/dbraw/zinc/86/16/60/532861660.db2.gz PTHBQSSBDWGCDZ-JTQLQIEISA-N -2 3 398.662 2.203 20 0 GEADHL COc1ccc(Br)c(S(=O)(=O)[N-]CC(C)(C)CC(=O)[O-])c1 ZINC000275069388 532862589 /nfs/dbraw/zinc/86/25/89/532862589.db2.gz WGYPYUWLRYKCDR-UHFFFAOYSA-N -2 3 380.260 2.237 20 0 GEADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])CC(C)(C)C ZINC000275088062 532864422 /nfs/dbraw/zinc/86/44/22/532864422.db2.gz ZZUUJUATAKQZTI-NSHDSACASA-N -2 3 375.418 2.170 20 0 GEADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](Cc2cnn(C)c2)C(=O)[O-])c1Cl ZINC000275234416 532869369 /nfs/dbraw/zinc/86/93/69/532869369.db2.gz JRFAYUYZANRGFO-NSHDSACASA-N -2 3 392.264 2.010 20 0 GEADHL Cc1c(S(=O)(=O)[N-][C@H](CC(F)F)C(=O)[O-])cnn1-c1ccc(Cl)cc1 ZINC000275377590 532874100 /nfs/dbraw/zinc/87/41/00/532874100.db2.gz ZIMFRAPSGWAGBN-LLVKDONJSA-N -2 3 393.799 2.221 20 0 GEADHL O=C([O-])[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000275372351 532874285 /nfs/dbraw/zinc/87/42/85/532874285.db2.gz YVLQFNTVBGPNHU-QMMMGPOBSA-N -2 3 394.140 2.272 20 0 GEADHL CCO[C@H]1C[C@@]([N-]S(=O)(=O)c2ccc(F)cc2Cl)(C(=O)[O-])C1(C)C ZINC000275576115 532879018 /nfs/dbraw/zinc/87/90/18/532879018.db2.gz GWCGOHYYJMSVJQ-SWLSCSKDSA-N -2 3 379.837 2.416 20 0 GEADHL CCO[C@@H]1C[C@]([N-]S(=O)(=O)c2ccc(F)cc2Cl)(C(=O)[O-])C1(C)C ZINC000275576103 532879205 /nfs/dbraw/zinc/87/92/05/532879205.db2.gz GWCGOHYYJMSVJQ-DOMZBBRYSA-N -2 3 379.837 2.416 20 0 GEADHL CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cc(C)ccc1[N-]S(C)(=O)=O ZINC000421143511 532888237 /nfs/dbraw/zinc/88/82/37/532888237.db2.gz AOFAWMWZBHCUAP-CYBMUJFWSA-N -2 3 378.516 2.169 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCN(C3CCCC3)C2)c(Cl)cc1F ZINC000364117558 532904126 /nfs/dbraw/zinc/90/41/26/532904126.db2.gz ABUFPOGJXLQGJM-JTQLQIEISA-N -2 3 390.864 2.473 20 0 GEADHL O=C([O-])c1csc(S(=O)(=O)[N-]C2(c3noc(C(F)F)n3)CCC2)c1 ZINC000368364338 532931959 /nfs/dbraw/zinc/93/19/59/532931959.db2.gz LUDRNLYKAMGXLP-UHFFFAOYSA-N -2 3 379.366 2.125 20 0 GEADHL Cc1cccc([C@@H](C)C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000737384697 598909555 /nfs/dbraw/zinc/90/95/55/598909555.db2.gz MXAMIRQXDJKFRO-CYBMUJFWSA-N -2 3 385.449 2.092 20 0 GEADHL Cc1cccc([C@@H](C)C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000737384697 598909557 /nfs/dbraw/zinc/90/95/57/598909557.db2.gz MXAMIRQXDJKFRO-CYBMUJFWSA-N -2 3 385.449 2.092 20 0 GEADHL CC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736351554 598924625 /nfs/dbraw/zinc/92/46/25/598924625.db2.gz SLLAKVDOYPKNHA-ZDUSSCGKSA-N -2 3 377.470 2.278 20 0 GEADHL CC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736351554 598924628 /nfs/dbraw/zinc/92/46/28/598924628.db2.gz SLLAKVDOYPKNHA-ZDUSSCGKSA-N -2 3 377.470 2.278 20 0 GEADHL O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1nn(-c2ccccc2F)cc1[O-] ZINC000738165198 598965044 /nfs/dbraw/zinc/96/50/44/598965044.db2.gz GCZUOVZHSPQGHW-UHFFFAOYSA-N -2 3 383.318 2.289 20 0 GEADHL O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1nn(-c2ccccc2F)cc1[O-] ZINC000738165198 598965049 /nfs/dbraw/zinc/96/50/49/598965049.db2.gz GCZUOVZHSPQGHW-UHFFFAOYSA-N -2 3 383.318 2.289 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)cccc1-c1nn[n-]n1 ZINC000822129069 607255936 /nfs/dbraw/zinc/25/59/36/607255936.db2.gz HFHNTVWMJPRMNR-UHFFFAOYSA-N -2 3 399.411 2.301 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H](C)CC1CCCC1 ZINC000737298922 598976097 /nfs/dbraw/zinc/97/60/97/598976097.db2.gz MPIYDLWKADXDKD-LBPRGKRZSA-N -2 3 377.470 2.196 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H](C)CC1CCCC1 ZINC000737298922 598976098 /nfs/dbraw/zinc/97/60/98/598976098.db2.gz MPIYDLWKADXDKD-LBPRGKRZSA-N -2 3 377.470 2.196 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C[C@@H]1CCCC[C@@H]1C ZINC000737298502 598976353 /nfs/dbraw/zinc/97/63/53/598976353.db2.gz LFSLXFMQUROTSF-AAEUAGOBSA-N -2 3 377.470 2.196 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C[C@@H]1CCCC[C@@H]1C ZINC000737298502 598976355 /nfs/dbraw/zinc/97/63/55/598976355.db2.gz LFSLXFMQUROTSF-AAEUAGOBSA-N -2 3 377.470 2.196 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1cccc(C(F)F)c1 ZINC000737300042 598975026 /nfs/dbraw/zinc/97/50/26/598975026.db2.gz VDARWHXVLJPDPO-UHFFFAOYSA-N -2 3 393.375 2.231 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1cccc(C(F)F)c1 ZINC000737300042 598975029 /nfs/dbraw/zinc/97/50/29/598975029.db2.gz VDARWHXVLJPDPO-UHFFFAOYSA-N -2 3 393.375 2.231 20 0 GEADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000736635492 599098096 /nfs/dbraw/zinc/09/80/96/599098096.db2.gz VDJAOPVYAFDBRL-UHFFFAOYSA-N -2 3 399.354 2.484 20 0 GEADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cnc(Cl)c(C)c1 ZINC000736635027 599228820 /nfs/dbraw/zinc/22/88/20/599228820.db2.gz QXJLWUYQEHJPCU-UHFFFAOYSA-N -2 3 394.844 2.423 20 0 GEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1ccc(OC2CCCC2)cc1 ZINC000823582804 599233900 /nfs/dbraw/zinc/23/39/00/599233900.db2.gz AXHXGIXASJKEKC-UHFFFAOYSA-N -2 3 386.437 2.384 20 0 GEADHL CCn1nc(C)c([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1C ZINC000736731193 599235959 /nfs/dbraw/zinc/23/59/59/599235959.db2.gz LJTYOKDNDUENPZ-UHFFFAOYSA-N -2 3 381.849 2.154 20 0 GEADHL CCn1nc(C)c([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1C ZINC000736731193 599235963 /nfs/dbraw/zinc/23/59/63/599235963.db2.gz LJTYOKDNDUENPZ-UHFFFAOYSA-N -2 3 381.849 2.154 20 0 GEADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000737062858 599236580 /nfs/dbraw/zinc/23/65/80/599236580.db2.gz RNYLIBHRVRSRGM-UHFFFAOYSA-N -2 3 377.401 2.432 20 0 GEADHL CCCC[C@H](CC)CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736439226 599245178 /nfs/dbraw/zinc/24/51/78/599245178.db2.gz SRYLBYSXKNKISS-ZDUSSCGKSA-N -2 3 379.486 2.419 20 0 GEADHL CCCC[C@H](CC)CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736439226 599245180 /nfs/dbraw/zinc/24/51/80/599245180.db2.gz SRYLBYSXKNKISS-ZDUSSCGKSA-N -2 3 379.486 2.419 20 0 GEADHL O=S(=O)([N-]c1ccc(Br)cc1O)c1ccccc1-c1nnn[n-]1 ZINC000823589006 599304668 /nfs/dbraw/zinc/30/46/68/599304668.db2.gz HQSWSAKSAMHRPQ-UHFFFAOYSA-N -2 3 396.226 2.136 20 0 GEADHL O=S(=O)([N-]c1ccc(Br)cc1O)c1ccccc1-c1nn[n-]n1 ZINC000823589006 599304671 /nfs/dbraw/zinc/30/46/71/599304671.db2.gz HQSWSAKSAMHRPQ-UHFFFAOYSA-N -2 3 396.226 2.136 20 0 GEADHL CC(C)(Cc1ccccc1)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000735671146 599282135 /nfs/dbraw/zinc/28/21/35/599282135.db2.gz PDJUVXJBOPCWQY-UHFFFAOYSA-N -2 3 399.476 2.082 20 0 GEADHL CC(C)(Cc1ccccc1)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000735671146 599282138 /nfs/dbraw/zinc/28/21/38/599282138.db2.gz PDJUVXJBOPCWQY-UHFFFAOYSA-N -2 3 399.476 2.082 20 0 GEADHL CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736645896 598283206 /nfs/dbraw/zinc/28/32/06/598283206.db2.gz AAFYKTMQFUYSPY-UHFFFAOYSA-N -2 3 375.410 2.075 20 0 GEADHL CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736645896 598283208 /nfs/dbraw/zinc/28/32/08/598283208.db2.gz AAFYKTMQFUYSPY-UHFFFAOYSA-N -2 3 375.410 2.075 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n(Cc2ccccc2)n1 ZINC000737281120 598437970 /nfs/dbraw/zinc/43/79/70/598437970.db2.gz PSYGBAYMKIPUNZ-UHFFFAOYSA-N -2 3 395.448 2.221 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n(Cc2ccccc2)n1 ZINC000737281120 598437972 /nfs/dbraw/zinc/43/79/72/598437972.db2.gz PSYGBAYMKIPUNZ-UHFFFAOYSA-N -2 3 395.448 2.221 20 0 GEADHL CC(C)(C)c1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819958411 607357208 /nfs/dbraw/zinc/35/72/08/607357208.db2.gz JYTUOMHGYIZXTI-UHFFFAOYSA-N -2 3 385.449 2.283 20 0 GEADHL CC(C)(C)c1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819958411 607357210 /nfs/dbraw/zinc/35/72/10/607357210.db2.gz JYTUOMHGYIZXTI-UHFFFAOYSA-N -2 3 385.449 2.283 20 0 GEADHL O=S(=O)([N-]c1ccc(F)c(-c2nnn[n-]2)c1)c1c(Cl)nc2ccccn21 ZINC000738343286 598594547 /nfs/dbraw/zinc/59/45/47/598594547.db2.gz WIKPKNOKZNDEQF-UHFFFAOYSA-N -2 3 393.791 2.108 20 0 GEADHL O=S(=O)([N-]c1ccc(F)c(-c2nn[n-]n2)c1)c1c(Cl)nc2ccccn21 ZINC000738343286 598594549 /nfs/dbraw/zinc/59/45/49/598594549.db2.gz WIKPKNOKZNDEQF-UHFFFAOYSA-N -2 3 393.791 2.108 20 0 GEADHL Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000737312681 598728211 /nfs/dbraw/zinc/72/82/11/598728211.db2.gz MIBYIGKHTWFKNX-UHFFFAOYSA-N -2 3 391.840 2.088 20 0 GEADHL Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000737312681 598728213 /nfs/dbraw/zinc/72/82/13/598728213.db2.gz MIBYIGKHTWFKNX-UHFFFAOYSA-N -2 3 391.840 2.088 20 0 GEADHL O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823387371 599300795 /nfs/dbraw/zinc/30/07/95/599300795.db2.gz IYOVFTBZLJBTLI-NXEZZACHSA-N -2 3 381.314 2.491 20 0 GEADHL O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823387371 599300798 /nfs/dbraw/zinc/30/07/98/599300798.db2.gz IYOVFTBZLJBTLI-NXEZZACHSA-N -2 3 381.314 2.491 20 0 GEADHL CCCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1c(C)noc1C ZINC000736487071 599313298 /nfs/dbraw/zinc/31/32/98/599313298.db2.gz BRKDMTHMGBFACJ-UHFFFAOYSA-N -2 3 377.430 2.094 20 0 GEADHL Cc1cnn(-c2ccc(C)cc2[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822224925 607378107 /nfs/dbraw/zinc/37/81/07/607378107.db2.gz GDCWNYWUAALGPR-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL CC(C)[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000820016504 599619614 /nfs/dbraw/zinc/61/96/14/599619614.db2.gz NFCZMMDITIVSDN-QGZVFWFLSA-N -2 3 399.476 2.253 20 0 GEADHL CC(C)[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820016504 599619615 /nfs/dbraw/zinc/61/96/15/599619615.db2.gz NFCZMMDITIVSDN-QGZVFWFLSA-N -2 3 399.476 2.253 20 0 GEADHL C[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820690460 599623240 /nfs/dbraw/zinc/62/32/40/599623240.db2.gz MGTMFIVPWMHUCL-VHSXEESVSA-N -2 3 383.861 2.151 20 0 GEADHL C[C@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820690460 599623241 /nfs/dbraw/zinc/62/32/41/599623241.db2.gz MGTMFIVPWMHUCL-VHSXEESVSA-N -2 3 383.861 2.151 20 0 GEADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000589936690 599746883 /nfs/dbraw/zinc/74/68/83/599746883.db2.gz WYKRLIIXLZXULH-UHFFFAOYSA-N -3 3 383.353 2.422 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(NC(=O)c3ccco3)cc2)o1 ZINC000740176866 599769386 /nfs/dbraw/zinc/76/93/86/599769386.db2.gz VAIXCRPTDMCGBJ-UHFFFAOYSA-N -2 3 390.373 2.302 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCc2coc(-c3ccc(F)cc3)n2)o1 ZINC000740176619 599777206 /nfs/dbraw/zinc/77/72/06/599777206.db2.gz KWAQSMQOQXERQS-UHFFFAOYSA-N -2 3 380.353 2.293 20 0 GEADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000826249418 607397751 /nfs/dbraw/zinc/39/77/51/607397751.db2.gz BTVIWUZEUFQHCW-UHFFFAOYSA-N -2 3 383.842 2.009 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000826249418 607397752 /nfs/dbraw/zinc/39/77/52/607397752.db2.gz BTVIWUZEUFQHCW-UHFFFAOYSA-N -2 3 383.842 2.009 20 0 GEADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(-n2cncn2)c(F)c1 ZINC000477390122 599907158 /nfs/dbraw/zinc/90/71/58/599907158.db2.gz BTLDKVRZTMOBLM-UHFFFAOYSA-N -2 3 376.369 2.214 20 0 GEADHL O=C([O-])c1ccc(OCC[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000740167809 599940208 /nfs/dbraw/zinc/94/02/08/599940208.db2.gz ISRRDVSOMXXDAV-UHFFFAOYSA-N -2 3 391.232 2.444 20 0 GEADHL Cc1cc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000738406123 600096218 /nfs/dbraw/zinc/09/62/18/600096218.db2.gz LPJSXXFWJGXFNB-UHFFFAOYSA-N -2 3 394.424 2.470 20 0 GEADHL Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)NCCCCCC(=O)[O-] ZINC000738974261 600165931 /nfs/dbraw/zinc/16/59/31/600165931.db2.gz CUYUQNBVERTXEL-UHFFFAOYSA-N -2 3 399.403 2.368 20 0 GEADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@](C)(C(=O)[O-])C1CC1 ZINC000737840485 600238886 /nfs/dbraw/zinc/23/88/86/600238886.db2.gz VRUFIMFGMGSILD-ZDUSSCGKSA-N -2 3 396.234 2.128 20 0 GEADHL C[C@@H]1COCCN1c1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1 ZINC000267209934 600396036 /nfs/dbraw/zinc/39/60/36/600396036.db2.gz RZMBPLFDYIEGRG-CQSZACIVSA-N -2 3 390.461 2.340 20 0 GEADHL O=C([O-])[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000738521805 600443992 /nfs/dbraw/zinc/44/39/92/600443992.db2.gz PLLALKRSVZAIRQ-LBPRGKRZSA-N -2 3 375.233 2.363 20 0 GEADHL CS(=O)(=O)[N-]c1cc(C(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)ccc1F ZINC000738163898 600454637 /nfs/dbraw/zinc/45/46/37/600454637.db2.gz KLOYUWAJWVNIPK-AWEZNQCLSA-N -2 3 385.344 2.319 20 0 GEADHL CC[C@]([N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1)(C(=O)OC)c1ccccc1 ZINC000736919561 600650561 /nfs/dbraw/zinc/65/05/61/600650561.db2.gz CGGXCCJIUHMGME-LJQANCHMSA-N -2 3 391.445 2.071 20 0 GEADHL CC(C)(C)OC(=O)N1CCCC[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000736272652 600651243 /nfs/dbraw/zinc/65/12/43/600651243.db2.gz IPBLJZKFFSZGGO-NSHDSACASA-N -2 3 388.442 2.046 20 0 GEADHL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000736233254 600678291 /nfs/dbraw/zinc/67/82/91/600678291.db2.gz TVCCNDXEMMZMSU-UHFFFAOYSA-N -3 3 379.390 2.253 20 0 GEADHL COC(=O)c1cc([N-]S(=O)(=O)CCOc2ccc(F)cc2)ccc1C(=O)[O-] ZINC000831327341 600687869 /nfs/dbraw/zinc/68/78/69/600687869.db2.gz HVXFQXBXGARMTF-UHFFFAOYSA-N -2 3 397.380 2.131 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc(N3CCOC3=O)cc2)ccc1C(=O)[O-] ZINC000738463237 600693648 /nfs/dbraw/zinc/69/36/48/600693648.db2.gz GMNLPFUADOZYRE-UHFFFAOYSA-N -2 3 376.390 2.451 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H]2CCN(Cc3ccccc3)C2)c1F ZINC000389426905 600991312 /nfs/dbraw/zinc/99/13/12/600991312.db2.gz DBPKBZZVZQAIKX-ZDUSSCGKSA-N -2 3 396.415 2.216 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@H]2COc3ccccc3C2)c1F ZINC000833294727 600994879 /nfs/dbraw/zinc/99/48/79/600994879.db2.gz VVVPYGRDOATZOM-JTQLQIEISA-N -2 3 383.372 2.193 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@@H](c2nccn2C)c2ccccc2)cc1C(=O)[O-] ZINC000833027564 601215221 /nfs/dbraw/zinc/21/52/21/601215221.db2.gz GZOYBNWFCZMRTD-OAHLLOKOSA-N -2 3 375.406 2.088 20 0 GEADHL Cc1oc(S(=O)(=O)[N-]Cc2ccccc2Cn2cccn2)cc1C(=O)[O-] ZINC000833026455 601215412 /nfs/dbraw/zinc/21/54/12/601215412.db2.gz CVCZCHQYLJYSJY-UHFFFAOYSA-N -2 3 375.406 2.010 20 0 GEADHL Cc1oc(S(=O)(=O)[N-]Cc2cc(Cl)c3c(c2)OCCO3)cc1C(=O)[O-] ZINC000563532160 601216184 /nfs/dbraw/zinc/21/61/84/601216184.db2.gz JFWCSQOIVAHQLS-UHFFFAOYSA-N -2 3 387.797 2.189 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1C(=O)[O-] ZINC000576036562 601217506 /nfs/dbraw/zinc/21/75/06/601217506.db2.gz XEIBBUJGORVAII-QGZVFWFLSA-N -2 3 393.417 2.487 20 0 GEADHL Cc1oc(S(=O)(=O)[N-]Cc2cccc(Cn3cccn3)c2)cc1C(=O)[O-] ZINC000833027455 601217846 /nfs/dbraw/zinc/21/78/46/601217846.db2.gz UIEFZCOBJYVLRM-UHFFFAOYSA-N -2 3 375.406 2.010 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCc3nc(C(C)(C)C)cn3C2)cc1C(=O)[O-] ZINC000833029192 601222012 /nfs/dbraw/zinc/22/20/12/601222012.db2.gz ZDHRSCLKQGGIRY-NSHDSACASA-N -2 3 381.454 2.074 20 0 GEADHL Cc1oc(S(=O)(=O)[N-]C2(c3cccc(F)c3)CCOCC2)cc1C(=O)[O-] ZINC000514724552 601223738 /nfs/dbraw/zinc/22/37/38/601223738.db2.gz CMVKUHUVJPMXRS-UHFFFAOYSA-N -2 3 383.397 2.410 20 0 GEADHL CC(C)(O)COc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000736419131 601224040 /nfs/dbraw/zinc/22/40/40/601224040.db2.gz PIWCLXUMWDBHAY-UHFFFAOYSA-N -2 3 383.397 2.474 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)nc(C)n3C)cc1C(=O)[O-] ZINC000832468997 601339953 /nfs/dbraw/zinc/33/99/53/601339953.db2.gz ZNTCVVUCWHTWRT-UHFFFAOYSA-N -2 3 375.406 2.389 20 0 GEADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1)c1nc(C2CCCCC2)no1 ZINC000827747464 601385046 /nfs/dbraw/zinc/38/50/46/601385046.db2.gz PBAXFEQGJNCUTE-SNVBAGLBSA-N -2 3 382.442 2.194 20 0 GEADHL CC[S@](=O)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000830145289 601443014 /nfs/dbraw/zinc/44/30/14/601443014.db2.gz NTNQIIQAJZWKFG-ROXXKOOQSA-N -2 3 395.449 2.021 20 0 GEADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)ccc1F ZINC000831029129 601624767 /nfs/dbraw/zinc/62/47/67/601624767.db2.gz IDISLKFGXHITSY-OAHLLOKOSA-N -2 3 394.424 2.070 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)cc(F)c1F ZINC000751143292 601768905 /nfs/dbraw/zinc/76/89/05/601768905.db2.gz YMWZGTYHZXPPFS-UHFFFAOYSA-N -2 3 398.387 2.300 20 0 GEADHL COC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000831185321 601827923 /nfs/dbraw/zinc/82/79/23/601827923.db2.gz RSMZYZHLULSKRH-UHFFFAOYSA-N -2 3 399.808 2.391 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)c1-c1nn[n-]n1 ZINC000826303722 607534839 /nfs/dbraw/zinc/53/48/39/607534839.db2.gz BMVUEDXCSYQGQK-UHFFFAOYSA-N -2 3 399.411 2.301 20 0 GEADHL CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(=O)OC(C)(C)C ZINC000827076769 602005002 /nfs/dbraw/zinc/00/50/02/602005002.db2.gz GWFMNOLAJJZBFM-CYBMUJFWSA-N -2 3 393.408 2.308 20 0 GEADHL CCO[C@H](CC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C(C)C ZINC000829918064 602161196 /nfs/dbraw/zinc/16/11/96/602161196.db2.gz MDIXHHJMXJFDOM-SECBINFHSA-N -2 3 398.275 2.470 20 0 GEADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCN2C(=O)[O-] ZINC000740089653 602245668 /nfs/dbraw/zinc/24/56/68/602245668.db2.gz UAUXEURLLRLZEK-UHFFFAOYSA-N -3 3 392.389 2.240 20 0 GEADHL CC(C)(CNC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000738753569 602317107 /nfs/dbraw/zinc/31/71/07/602317107.db2.gz ZMSHAQDRGQRFBJ-UHFFFAOYSA-N -2 3 385.667 2.427 20 0 GEADHL O=C([O-])NCCC[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000740651029 602539142 /nfs/dbraw/zinc/53/91/42/602539142.db2.gz FFHMMWKPEJQICV-UHFFFAOYSA-N -2 3 375.859 2.400 20 0 GEADHL CCC(CC)[C@H](CNC(=O)c1ccc(NC(=O)[O-])cc1[O-])N1CCOCC1 ZINC000739254153 602844205 /nfs/dbraw/zinc/84/42/05/602844205.db2.gz WRJBWEXFMKUYMO-INIZCTEOSA-N -2 3 379.457 2.349 20 0 GEADHL C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O)NC(=O)[O-] ZINC000824678332 602863087 /nfs/dbraw/zinc/86/30/87/602863087.db2.gz BHZCADGXVFLTJA-SSDOTTSWSA-N -2 3 383.348 2.062 20 0 GEADHL C[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739040855 602877967 /nfs/dbraw/zinc/87/79/67/602877967.db2.gz WVMBOLQJCQZWAY-DTWKUNHWSA-N -2 3 382.269 2.445 20 0 GEADHL C[C@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823702555 602886677 /nfs/dbraw/zinc/88/66/77/602886677.db2.gz KPVSWUUKYYWBJJ-LRDDRELGSA-N -2 3 380.408 2.128 20 0 GEADHL C[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823702555 602886679 /nfs/dbraw/zinc/88/66/79/602886679.db2.gz KPVSWUUKYYWBJJ-LRDDRELGSA-N -2 3 380.408 2.128 20 0 GEADHL O=C([O-])N(CCCNC(=O)NCc1ccc([O-])c(F)c1)Cc1cccnc1 ZINC000740432531 602913294 /nfs/dbraw/zinc/91/32/94/602913294.db2.gz XDBXQJGXYFDSJI-UHFFFAOYSA-N -2 3 376.388 2.296 20 0 GEADHL O=C([O-])NC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000832483631 603125786 /nfs/dbraw/zinc/12/57/86/603125786.db2.gz SOZSKTVQHFKCRO-SFYZADRCSA-N -2 3 383.289 2.225 20 0 GEADHL CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2cccs2)cc1-c1nnn[n-]1 ZINC000825553492 607682514 /nfs/dbraw/zinc/68/25/14/607682514.db2.gz RJTBJXCCJVQBHU-UHFFFAOYSA-N -2 3 394.438 2.297 20 0 GEADHL CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2cccs2)cc1-c1nn[n-]n1 ZINC000825553492 607682515 /nfs/dbraw/zinc/68/25/15/607682515.db2.gz RJTBJXCCJVQBHU-UHFFFAOYSA-N -2 3 394.438 2.297 20 0 GEADHL CCc1cc(=O)[n-]c(CN2CCN([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)n1 ZINC000830224389 604494632 /nfs/dbraw/zinc/49/46/32/604494632.db2.gz MJQGOFYNKPJQDM-SFHVURJKSA-N -2 3 390.871 2.342 20 0 GEADHL Cc1ncc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)s1 ZINC000833008542 604502776 /nfs/dbraw/zinc/50/27/76/604502776.db2.gz IJTASMOPIFJYHJ-UHFFFAOYSA-N -2 3 395.256 2.026 20 0 GEADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000833716041 605021934 /nfs/dbraw/zinc/02/19/34/605021934.db2.gz NBEKCALWQHDKSW-AWEZNQCLSA-N -2 3 399.371 2.246 20 0 GEADHL O=C([O-])NCC1CCN(C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000832584952 605191468 /nfs/dbraw/zinc/19/14/68/605191468.db2.gz ZKYCILNHLJIOQU-UHFFFAOYSA-N -2 3 386.246 2.344 20 0 GEADHL O=C([O-])N[C@H]1CCc2ncc(NC(=O)c3c[n-]c4ccccc4c3=O)cc2C1 ZINC000834198001 605330969 /nfs/dbraw/zinc/33/09/69/605330969.db2.gz ZCUHWJCSWZUBJN-LBPRGKRZSA-N -2 3 378.388 2.300 20 0 GEADHL O=C([O-])N[C@@H]1CCc2ncc(NC(=O)c3c[n-]c4ccccc4c3=O)cc2C1 ZINC000834197997 605331421 /nfs/dbraw/zinc/33/14/21/605331421.db2.gz ZCUHWJCSWZUBJN-GFCCVEGCSA-N -2 3 378.388 2.300 20 0 GEADHL C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000825824393 605412499 /nfs/dbraw/zinc/41/24/99/605412499.db2.gz SBRUWHTXPSPXSY-GXSJLCMTSA-N -2 3 386.246 2.485 20 0 GEADHL C[C@H]1OCC[C@@]1(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000833633263 605412528 /nfs/dbraw/zinc/41/25/28/605412528.db2.gz DGVCWADVMYOTMS-FUXBKTLASA-N -2 3 396.234 2.132 20 0 GEADHL Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n(C)n1 ZINC000822340744 606054960 /nfs/dbraw/zinc/05/49/60/606054960.db2.gz FZZHZXSYWIRFKX-UHFFFAOYSA-N -2 3 395.448 2.376 20 0 GEADHL Cc1ccccc1-c1cc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n(C)n1 ZINC000822340744 606054966 /nfs/dbraw/zinc/05/49/66/606054966.db2.gz FZZHZXSYWIRFKX-UHFFFAOYSA-N -2 3 395.448 2.376 20 0 GEADHL CSc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1Cl ZINC000821984797 606163434 /nfs/dbraw/zinc/16/34/34/606163434.db2.gz TWDZLZSBJLLULH-UHFFFAOYSA-N -2 3 382.858 2.438 20 0 GEADHL CSc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1Cl ZINC000821984797 606163436 /nfs/dbraw/zinc/16/34/36/606163436.db2.gz TWDZLZSBJLLULH-UHFFFAOYSA-N -2 3 382.858 2.438 20 0 GEADHL O=C(Nc1cccc(-c2nnn[n-]2)c1)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000823363409 606197599 /nfs/dbraw/zinc/19/75/99/606197599.db2.gz CHPBBSBKNWQTKA-UHFFFAOYSA-N -2 3 383.318 2.289 20 0 GEADHL O=C(Nc1cccc(-c2nn[n-]n2)c1)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000823363409 606197601 /nfs/dbraw/zinc/19/76/01/606197601.db2.gz CHPBBSBKNWQTKA-UHFFFAOYSA-N -2 3 383.318 2.289 20 0 GEADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1ccc(F)c2ncccc12 ZINC000823582854 606337888 /nfs/dbraw/zinc/33/78/88/606337888.db2.gz CEFNNIXROMLPHC-UHFFFAOYSA-N -2 3 386.368 2.060 20 0 GEADHL CCCc1nnc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)s1 ZINC000821143811 606469000 /nfs/dbraw/zinc/46/90/00/606469000.db2.gz YLHYTQBCYKEZCN-UHFFFAOYSA-N -2 3 385.862 2.125 20 0 GEADHL CCCc1nnc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)s1 ZINC000821143811 606469001 /nfs/dbraw/zinc/46/90/01/606469001.db2.gz YLHYTQBCYKEZCN-UHFFFAOYSA-N -2 3 385.862 2.125 20 0 GEADHL Cc1cc(Br)ncc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822162212 606637363 /nfs/dbraw/zinc/63/73/63/606637363.db2.gz ZBOIEQUJLAVOFZ-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1nn(C)cc1-c1nnn[n-]1 ZINC000822191548 606709551 /nfs/dbraw/zinc/70/95/51/606709551.db2.gz KDQPLDNPWIFWJO-UHFFFAOYSA-N -2 3 389.485 2.315 20 0 GEADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2csc3ccc(Cl)cc32)n1 ZINC000822622992 606710232 /nfs/dbraw/zinc/71/02/32/606710232.db2.gz NIZJNIRKCJYDKB-UHFFFAOYSA-N -2 3 395.857 2.269 20 0 GEADHL O=S(=O)([N-]c1cc(C2CCCC2)[nH]n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823583331 606780222 /nfs/dbraw/zinc/78/02/22/606780222.db2.gz NHFGUASBIXYQOE-UHFFFAOYSA-N -2 3 377.405 2.187 20 0 GEADHL O=S(=O)([N-]c1cc(C2CCCC2)[nH]n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823583331 606780223 /nfs/dbraw/zinc/78/02/23/606780223.db2.gz NHFGUASBIXYQOE-UHFFFAOYSA-N -2 3 377.405 2.187 20 0 GEADHL CN(c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C1CCCC1 ZINC000821618900 606787969 /nfs/dbraw/zinc/78/79/69/606787969.db2.gz AERNVEKXPYTKIK-UHFFFAOYSA-N -2 3 399.480 2.441 20 0 GEADHL CN(c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C1CCCC1 ZINC000821618900 606787971 /nfs/dbraw/zinc/78/79/71/606787971.db2.gz AERNVEKXPYTKIK-UHFFFAOYSA-N -2 3 399.480 2.441 20 0 GEADHL O=S(=O)([N-]CCCCc1ccccc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572284 606885274 /nfs/dbraw/zinc/88/52/74/606885274.db2.gz FWAIBOGQUCSPOP-UHFFFAOYSA-N -2 3 393.419 2.446 20 0 GEADHL C[C@@H](Cc1ccsc1)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820308116 606885912 /nfs/dbraw/zinc/88/59/12/606885912.db2.gz RHIPRHGBFAGTQC-QMMMGPOBSA-N -2 3 385.421 2.116 20 0 GEADHL CC[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1nccs1 ZINC000820925919 606891675 /nfs/dbraw/zinc/89/16/75/606891675.db2.gz NFOWNSXLYJEJAA-SNVBAGLBSA-N -2 3 386.409 2.031 20 0 GEADHL O=S(=O)([N-][C@@H]1C[C@H]1Cc1ccccc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823573755 606895205 /nfs/dbraw/zinc/89/52/05/606895205.db2.gz YQSDHUDSRCYZBE-IAQYHMDHSA-N -2 3 391.403 2.054 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1cccc(Cl)c1F ZINC000822223745 606923187 /nfs/dbraw/zinc/92/31/87/606923187.db2.gz IRQQBQHLSUUPJK-UHFFFAOYSA-N -2 3 395.803 2.086 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1cccc(Cl)c1F ZINC000822223745 606923189 /nfs/dbraw/zinc/92/31/89/606923189.db2.gz IRQQBQHLSUUPJK-UHFFFAOYSA-N -2 3 395.803 2.086 20 0 GEADHL O=C(OCCCOc1cccc(-c2nnn[n-]2)c1)c1c(F)cc([O-])cc1F ZINC000823401128 606951011 /nfs/dbraw/zinc/95/10/11/606951011.db2.gz PPBMEZUQSWZBQO-UHFFFAOYSA-N -2 3 376.319 2.476 20 0 GEADHL O=C(OCCCOc1cccc(-c2nn[n-]n2)c1)c1c(F)cc([O-])cc1F ZINC000823401128 606951013 /nfs/dbraw/zinc/95/10/13/606951013.db2.gz PPBMEZUQSWZBQO-UHFFFAOYSA-N -2 3 376.319 2.476 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1-c1ncco1 ZINC000822259145 607002304 /nfs/dbraw/zinc/00/23/04/607002304.db2.gz NSBNQNICWKVIFO-UHFFFAOYSA-N -2 3 383.393 2.026 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1-c1ncco1 ZINC000822259145 607002306 /nfs/dbraw/zinc/00/23/06/607002306.db2.gz NSBNQNICWKVIFO-UHFFFAOYSA-N -2 3 383.393 2.026 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1ccn(CCC(C)C)n1 ZINC000822223733 607002514 /nfs/dbraw/zinc/00/25/14/607002514.db2.gz ILRSXRSGJPLWEP-UHFFFAOYSA-N -2 3 375.458 2.219 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccn(CCC(C)C)n1 ZINC000822223733 607002516 /nfs/dbraw/zinc/00/25/16/607002516.db2.gz ILRSXRSGJPLWEP-UHFFFAOYSA-N -2 3 375.458 2.219 20 0 GEADHL CN(C(=O)c1nn(-c2ccccc2F)cc1[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000821574828 607019854 /nfs/dbraw/zinc/01/98/54/607019854.db2.gz ZDGYILRMXUINMQ-UHFFFAOYSA-N -2 3 379.355 2.174 20 0 GEADHL CN(C(=O)c1nn(-c2ccccc2F)cc1[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000821574828 607019856 /nfs/dbraw/zinc/01/98/56/607019856.db2.gz ZDGYILRMXUINMQ-UHFFFAOYSA-N -2 3 379.355 2.174 20 0 GEADHL C[C@@H](C(=O)[O-])[C@H](NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000820541247 607108152 /nfs/dbraw/zinc/10/81/52/607108152.db2.gz CRBLWBYYNNFPRO-IGCXYCKISA-N -2 3 395.419 2.212 20 0 GEADHL C[C@@H](C(=O)[O-])[C@H](NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000820541247 607108154 /nfs/dbraw/zinc/10/81/54/607108154.db2.gz CRBLWBYYNNFPRO-IGCXYCKISA-N -2 3 395.419 2.212 20 0 GEADHL CC(C)[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824341803 607806192 /nfs/dbraw/zinc/80/61/92/607806192.db2.gz DDDDXBOBARQKNJ-JOCQHMNTSA-N -2 3 377.470 2.134 20 0 GEADHL CC(C)[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824341803 607806193 /nfs/dbraw/zinc/80/61/93/607806193.db2.gz DDDDXBOBARQKNJ-JOCQHMNTSA-N -2 3 377.470 2.134 20 0 GEADHL O=S(=O)([N-]c1cccc(-c2ncco2)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826493166 607817521 /nfs/dbraw/zinc/81/75/21/607817521.db2.gz WTFPUMCQFNZLGG-UHFFFAOYSA-N -2 3 386.368 2.462 20 0 GEADHL O=S(=O)([N-]c1cccc(-c2ncco2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826493166 607817522 /nfs/dbraw/zinc/81/75/22/607817522.db2.gz WTFPUMCQFNZLGG-UHFFFAOYSA-N -2 3 386.368 2.462 20 0 GEADHL O=C(c1c([O-])cc(F)cc1F)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826469275 608085748 /nfs/dbraw/zinc/08/57/48/608085748.db2.gz ZSPFYEISSNNTCH-OAHLLOKOSA-N -2 3 387.346 2.064 20 0 GEADHL O=C(c1c([O-])cc(F)cc1F)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826469275 608085749 /nfs/dbraw/zinc/08/57/49/608085749.db2.gz ZSPFYEISSNNTCH-OAHLLOKOSA-N -2 3 387.346 2.064 20 0 GEADHL COCCn1ccc2ccc([N-]S(=O)(=O)c3ccccc3-c3nnn[n-]3)cc21 ZINC000826163640 608148980 /nfs/dbraw/zinc/14/89/80/608148980.db2.gz DMYCOERXJROWSR-UHFFFAOYSA-N -2 3 398.448 2.269 20 0 GEADHL COCCn1ccc2ccc([N-]S(=O)(=O)c3ccccc3-c3nn[n-]n3)cc21 ZINC000826163640 608148981 /nfs/dbraw/zinc/14/89/81/608148981.db2.gz DMYCOERXJROWSR-UHFFFAOYSA-N -2 3 398.448 2.269 20 0 GEADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000826186929 608219907 /nfs/dbraw/zinc/21/99/07/608219907.db2.gz QNPACVSVXOJMFO-UHFFFAOYSA-N -2 3 387.421 2.001 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1ccc(Cl)c(F)c1 ZINC000826278982 608248929 /nfs/dbraw/zinc/24/89/29/608248929.db2.gz BAKNZBASBVHHFU-UHFFFAOYSA-N -2 3 395.803 2.086 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1ccc(Cl)c(F)c1 ZINC000826278982 608248930 /nfs/dbraw/zinc/24/89/30/608248930.db2.gz BAKNZBASBVHHFU-UHFFFAOYSA-N -2 3 395.803 2.086 20 0 GEADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1cc(C(F)(F)F)ccc1Cl ZINC000826492422 608308098 /nfs/dbraw/zinc/30/80/98/608308098.db2.gz JRSURZJFAYEKCP-UHFFFAOYSA-N -2 3 393.738 2.063 20 0 GEADHL O=C(OCc1n[nH]c(=O)[n-]1)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000826467914 608436465 /nfs/dbraw/zinc/43/64/65/608436465.db2.gz QXRNPLDJCJMGPM-UHFFFAOYSA-N -2 3 395.404 2.199 20 0 GEADHL O=C(OCc1n[nH]c(=O)[n-]1)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000826467914 608436467 /nfs/dbraw/zinc/43/64/67/608436467.db2.gz QXRNPLDJCJMGPM-UHFFFAOYSA-N -2 3 395.404 2.199 20 0 GEADHL Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824859574 608493620 /nfs/dbraw/zinc/49/36/20/608493620.db2.gz QQNXRHQVEOVQIN-OAHLLOKOSA-N -2 3 395.810 2.498 20 0 GEADHL Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824859574 608493621 /nfs/dbraw/zinc/49/36/21/608493621.db2.gz QQNXRHQVEOVQIN-OAHLLOKOSA-N -2 3 395.810 2.498 20 0 GEADHL CCc1cc(=O)c2cc([N-]S(=O)(=O)c3ccccc3-c3nn[n-]n3)ccc2[nH]1 ZINC000825693952 609156194 /nfs/dbraw/zinc/15/61/94/609156194.db2.gz HZHLMRCXUAWBPB-UHFFFAOYSA-N -2 3 396.432 2.071 20 0 GEADHL O=C([N-]OCc1ccc(C(F)(F)F)cc1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826449616 609255044 /nfs/dbraw/zinc/25/50/44/609255044.db2.gz BHCRLQMUIKHDIE-CQSZACIVSA-N -2 3 393.325 2.167 20 0 GEADHL O=C([N-]OCc1ccc(C(F)(F)F)cc1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826449616 609255045 /nfs/dbraw/zinc/25/50/45/609255045.db2.gz BHCRLQMUIKHDIE-CQSZACIVSA-N -2 3 393.325 2.167 20 0 GEADHL CC(C)c1nnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)s1 ZINC000824364447 609263162 /nfs/dbraw/zinc/26/31/62/609263162.db2.gz HDLVITFBVDJCIX-UHFFFAOYSA-N -2 3 385.862 2.296 20 0 GEADHL CC(C)c1nnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)s1 ZINC000824364447 609263163 /nfs/dbraw/zinc/26/31/63/609263163.db2.gz HDLVITFBVDJCIX-UHFFFAOYSA-N -2 3 385.862 2.296 20 0 GEADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccccc1COC ZINC000825631822 609422637 /nfs/dbraw/zinc/42/26/37/609422637.db2.gz GNUKAMXPIJNHOJ-UHFFFAOYSA-N -2 3 389.437 2.213 20 0 GEADHL O=S(=O)([N-]c1nc(-c2cccs2)ns1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826493161 609451394 /nfs/dbraw/zinc/45/13/94/609451394.db2.gz WLASUAOYOKFESG-UHFFFAOYSA-N -2 3 391.463 2.248 20 0 GEADHL O=S(=O)([N-]c1nc(-c2cccs2)ns1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826493161 609451396 /nfs/dbraw/zinc/45/13/96/609451396.db2.gz WLASUAOYOKFESG-UHFFFAOYSA-N -2 3 391.463 2.248 20 0 GEADHL CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000824024769 609468070 /nfs/dbraw/zinc/46/80/70/609468070.db2.gz OUIRIMNMBXITTF-UHFFFAOYSA-N -2 3 375.385 2.318 20 0 GEADHL O=c1[nH]c2cc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3Cl)ccc2o1 ZINC000826500727 609527312 /nfs/dbraw/zinc/52/73/12/609527312.db2.gz JZWUJHNCZWJHQP-UHFFFAOYSA-N -2 3 392.784 2.168 20 0 GEADHL O=c1[nH]c2cc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3Cl)ccc2o1 ZINC000826500727 609527314 /nfs/dbraw/zinc/52/73/14/609527314.db2.gz JZWUJHNCZWJHQP-UHFFFAOYSA-N -2 3 392.784 2.168 20 0 GEADHL COc1cc(O)cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826181319 609530287 /nfs/dbraw/zinc/53/02/87/609530287.db2.gz UVTIJUGRILWBFF-UHFFFAOYSA-N -2 3 381.801 2.035 20 0 GEADHL COc1cc(O)cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826181319 609530289 /nfs/dbraw/zinc/53/02/89/609530289.db2.gz UVTIJUGRILWBFF-UHFFFAOYSA-N -2 3 381.801 2.035 20 0 GEADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2c[nH]c3ncccc23)c1 ZINC000460837413 650446603 /nfs/dbraw/zinc/44/66/03/650446603.db2.gz OCDYARFGASDHNN-UHFFFAOYSA-N -2 3 380.451 2.044 20 0 GEADHL Cc1cc(Cl)cnc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000461216688 650451080 /nfs/dbraw/zinc/45/10/80/650451080.db2.gz GDKUJGVPUMOEEF-UHFFFAOYSA-N -2 3 393.849 2.355 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2noc3ccccc32)c(F)c1 ZINC000508223023 650477716 /nfs/dbraw/zinc/47/77/16/650477716.db2.gz OMUSGMAUGIXZOJ-UHFFFAOYSA-N -2 3 385.398 2.139 20 0 GEADHL COCCc1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000512589338 650551280 /nfs/dbraw/zinc/55/12/80/650551280.db2.gz VOXCNOCBIOANCO-UHFFFAOYSA-N -2 3 384.479 2.048 20 0 GEADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000514720504 650577685 /nfs/dbraw/zinc/57/76/85/650577685.db2.gz LVMAAJLNWZBGMS-JGVFFNPUSA-N -2 3 396.234 2.128 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2[N-]S(C)(=O)=O)c(F)c1 ZINC000480230737 650618157 /nfs/dbraw/zinc/61/81/57/650618157.db2.gz RLYONJJCSWCBDT-UHFFFAOYSA-N -2 3 388.442 2.315 20 0 GEADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](CCC(C)(C)C)C(=O)[O-] ZINC000485053253 650692525 /nfs/dbraw/zinc/69/25/25/650692525.db2.gz KHYXUQGEASJGGZ-LLVKDONJSA-N -2 3 375.418 2.170 20 0 GEADHL O=C([N-][N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccccn1 ZINC000016099749 642385106 /nfs/dbraw/zinc/38/51/06/642385106.db2.gz NTLWKTZVMSPJNH-UHFFFAOYSA-N -2 3 379.747 2.377 20 0 GEADHL Cc1[nH]nc(C(=O)[N-]NC(=O)c2cc3ccccc3cc2[O-])c1Br ZINC000053790931 642738601 /nfs/dbraw/zinc/73/86/01/642738601.db2.gz FLGYFSFUPNFMEU-UHFFFAOYSA-N -2 3 389.209 2.414 20 0 GEADHL Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc(Br)ccc1[O-] ZINC000156389544 644093520 /nfs/dbraw/zinc/09/35/20/644093520.db2.gz HQSHYUCCUKCKFX-UHFFFAOYSA-N -2 3 391.225 2.298 20 0 GEADHL Cc1ncc(C(=O)[N-]c2nnc([N-]S(=O)(=O)c3ccccc3)s2)s1 ZINC000499703705 650891046 /nfs/dbraw/zinc/89/10/46/650891046.db2.gz VSPKUDCANQDDRU-UHFFFAOYSA-N -2 3 381.464 2.356 20 0 GEADHL CCOC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C(C)C ZINC000232390106 645404809 /nfs/dbraw/zinc/40/48/09/645404809.db2.gz IRVKCLGXBTUZIO-MRVPVSSYSA-N -2 3 384.248 2.080 20 0 GEADHL O=C([O-])[C@@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000547574754 651033553 /nfs/dbraw/zinc/03/35/53/651033553.db2.gz QZAMSDDSWGNLMV-SSDOTTSWSA-N -2 3 379.868 2.468 20 0 GEADHL O=C([O-])[C@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000547574755 651033924 /nfs/dbraw/zinc/03/39/24/651033924.db2.gz QZAMSDDSWGNLMV-ZETCQYMHSA-N -2 3 379.868 2.468 20 0 GEADHL CCc1ncc(S(=O)(=O)[N-][C@H](Cc2c(F)cccc2Cl)C(=O)[O-])s1 ZINC000547585522 651036085 /nfs/dbraw/zinc/03/60/85/651036085.db2.gz RADQRULVRCOPRX-LLVKDONJSA-N -2 3 392.861 2.472 20 0 GEADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C[C@H]2CCOC2)C(=O)[O-])c1Cl ZINC000547877373 651049841 /nfs/dbraw/zinc/04/98/41/651049841.db2.gz XIVGEEDBVNLMLA-MWLCHTKSSA-N -2 3 382.265 2.460 20 0 GEADHL CC[C@H](C[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC)CC(=O)[O-] ZINC000547904319 651053803 /nfs/dbraw/zinc/05/38/03/651053803.db2.gz MWMVJWCLOOCXGC-JTQLQIEISA-N -2 3 385.463 2.467 20 0 GEADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](C)CCC[C@H](C)C(=O)[O-])s1 ZINC000547936253 651056992 /nfs/dbraw/zinc/05/69/92/651056992.db2.gz IKNDWDZLWALQJX-UWVGGRQHSA-N -2 3 393.483 2.101 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(Cl)c2)s1 ZINC000547938488 651057274 /nfs/dbraw/zinc/05/72/74/651057274.db2.gz XYKCEHLODNVZMY-GFCCVEGCSA-N -2 3 389.838 2.292 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2nc(C)c(C)s2)cc1F ZINC000271852185 646234330 /nfs/dbraw/zinc/23/43/30/646234330.db2.gz HHZDLGDUXTVCOX-UHFFFAOYSA-N -2 3 393.487 2.461 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cccnc2C)cc1F ZINC000271902220 646239020 /nfs/dbraw/zinc/23/90/20/646239020.db2.gz OVEIGYRRNRSUKC-UHFFFAOYSA-N -2 3 387.458 2.482 20 0 GEADHL CCOC(=O)CC[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C(=O)[O-] ZINC000278112064 646494464 /nfs/dbraw/zinc/49/44/64/646494464.db2.gz KYVNWPSUSGSOMO-JTQLQIEISA-N -2 3 398.264 2.377 20 0 GEADHL CSC1(C[N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)CC1 ZINC000278589529 646528688 /nfs/dbraw/zinc/52/86/88/646528688.db2.gz DZAFWFONQFUSAG-UHFFFAOYSA-N -2 3 386.314 2.383 20 0 GEADHL COC(=O)c1sc(S(=O)(=O)[N-]CCC[C@@H](C)C(=O)[O-])c(C)c1Cl ZINC000278682803 646538441 /nfs/dbraw/zinc/53/84/41/646538441.db2.gz LXKNCXPSDYTFGP-SSDOTTSWSA-N -2 3 383.875 2.276 20 0 GEADHL COC(=O)c1sc(S(=O)(=O)[N-]CCCCCC(=O)[O-])c(C)c1Cl ZINC000278700564 646540771 /nfs/dbraw/zinc/54/07/71/646540771.db2.gz NIDCEOYFLPHUJS-UHFFFAOYSA-N -2 3 383.875 2.420 20 0 GEADHL COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1cccs1 ZINC000319958043 647291158 /nfs/dbraw/zinc/29/11/58/647291158.db2.gz CWWTYCCYTAUZAE-SECBINFHSA-N -2 3 375.449 2.091 20 0 GEADHL CCCc1ncc(C[N-]S(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)o1 ZINC000414337114 648095599 /nfs/dbraw/zinc/09/55/99/648095599.db2.gz KKWWODOULAEYHA-UHFFFAOYSA-N -2 3 388.829 2.466 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@H]1CCOC1 ZINC000548200896 651067801 /nfs/dbraw/zinc/06/78/01/651067801.db2.gz VBUAQAGQHNYQAW-WRWORJQWSA-N -2 3 387.763 2.127 20 0 GEADHL CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1C(=O)OC)C(=O)[O-] ZINC000548260301 651073753 /nfs/dbraw/zinc/07/37/53/651073753.db2.gz BGOSJNBGZYHORB-ZWNOBZJWSA-N -2 3 375.418 2.170 20 0 GEADHL O=C([O-])c1csc(C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)n1 ZINC000548551458 651079906 /nfs/dbraw/zinc/07/99/06/651079906.db2.gz KKRWDTURTNVCNS-UHFFFAOYSA-N -2 3 381.460 2.443 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@](C)(CCC(C)(C)C)C(=O)[O-])oc1C ZINC000556418585 651243922 /nfs/dbraw/zinc/24/39/22/651243922.db2.gz RBWMJVBABOBJBX-MRXNPFEDSA-N -2 3 375.443 2.323 20 0 GEADHL O=C([O-])[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000567603370 651629099 /nfs/dbraw/zinc/62/90/99/651629099.db2.gz MDYKOXAEUCYGMX-ZCFIWIBFSA-N -2 3 381.250 2.111 20 0 GEADHL CCc1ccc(S(=O)(=O)[N-]c2cccc(F)c2S(=O)(=O)[N-]C)s1 ZINC000567975274 651642428 /nfs/dbraw/zinc/64/24/28/651642428.db2.gz NCZOBTJWZQEDKU-UHFFFAOYSA-N -2 3 378.472 2.159 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1ccccc1F ZINC000568343462 651662176 /nfs/dbraw/zinc/66/21/76/651662176.db2.gz LKBJAODJXVRVQU-GFCCVEGCSA-N -2 3 378.303 2.344 20 0 GEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000645955068 651671730 /nfs/dbraw/zinc/67/17/30/651671730.db2.gz JNSCGDWLHZMIOS-TZMCWYRMSA-N -2 3 382.463 2.288 20 0 GEADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000570704670 651784944 /nfs/dbraw/zinc/78/49/44/651784944.db2.gz LLAVSPHLZXYATD-UHFFFAOYSA-N -2 3 384.454 2.023 20 0 GEADHL Cc1ccc([C@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000571043427 651808191 /nfs/dbraw/zinc/80/81/91/651808191.db2.gz COUKSIWNDUMKPI-SWLSCSKDSA-N -2 3 382.463 2.348 20 0 GEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cccs2)c1 ZINC000614314521 651820848 /nfs/dbraw/zinc/82/08/48/651820848.db2.gz JOVTXGRIMUMIHK-VIFPVBQESA-N -2 3 375.449 2.091 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]C[C@H](Cc2cc(F)c(F)c(F)c2)C(=O)[O-])o1 ZINC000571689785 651848565 /nfs/dbraw/zinc/84/85/65/651848565.db2.gz SQNVXPPJXIHWRQ-JTQLQIEISA-N -2 3 377.340 2.227 20 0 GEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000575151058 652065426 /nfs/dbraw/zinc/06/54/26/652065426.db2.gz GOBHVUIKCGUGTF-STQMWFEESA-N -2 3 381.431 2.126 20 0 GEADHL O=C([O-])CCCNC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000746337805 652100484 /nfs/dbraw/zinc/10/04/84/652100484.db2.gz DNLHOHKZDXLJCL-UHFFFAOYSA-N -2 3 395.264 2.029 20 0 GEADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)cc1C(=O)[O-] ZINC000581334382 652411409 /nfs/dbraw/zinc/41/14/09/652411409.db2.gz USPKUVKXQFHXGD-XMMPIXPASA-N -2 3 383.447 2.322 20 0 GEADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]N=c2nc[nH]c3ccsc32)c1 ZINC000753785572 652415647 /nfs/dbraw/zinc/41/56/47/652415647.db2.gz YJFKSRMHNLGFOS-UHFFFAOYSA-N -2 3 382.398 2.142 20 0 GEADHL C[C@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C[C@@H]1C(=O)[O-] ZINC000582062935 652433819 /nfs/dbraw/zinc/43/38/19/652433819.db2.gz HONMOCYSUTYGOO-CABZTGNLSA-N -2 3 393.237 2.473 20 0 GEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(Br)c(C)c2)c[n-]1 ZINC000585730376 652535085 /nfs/dbraw/zinc/53/50/85/652535085.db2.gz NVNUXJHTTKUVFZ-UHFFFAOYSA-N -2 3 388.243 2.458 20 0 GEADHL CN(C)c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000592429009 652594348 /nfs/dbraw/zinc/59/43/48/652594348.db2.gz HCGKLZRDQZOQLF-UHFFFAOYSA-N -2 3 379.825 2.090 20 0 GEADHL CCOC(=O)[C@@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000761308055 652642430 /nfs/dbraw/zinc/64/24/30/652642430.db2.gz BBKZINYVWZBWID-ZETCQYMHSA-N -2 3 384.237 2.169 20 0 GEADHL Cn1ncc([N-]S(=O)(=O)/C=C/c2ccccc2Br)c1C(=O)[O-] ZINC000774621834 653244323 /nfs/dbraw/zinc/24/43/23/653244323.db2.gz MFPCITQFWCEAGT-VOTSOKGWSA-N -2 3 386.227 2.293 20 0 GEADHL CCOC[C@H]([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000685898434 653315742 /nfs/dbraw/zinc/31/57/42/653315742.db2.gz ZXMILMLWJXSMSM-NSHDSACASA-N -2 3 390.870 2.232 20 0 GEADHL COc1cc([N-]S(=O)(=O)CCOC(F)(F)F)c(Cl)cc1C(=O)[O-] ZINC000685897612 653315922 /nfs/dbraw/zinc/31/59/22/653315922.db2.gz LNBMLAQCLFKQEO-UHFFFAOYSA-N -2 3 377.724 2.325 20 0 GEADHL COc1cc(OC)c([N-]S(=O)(=O)Cc2ccc(Cl)nc2)c(C(=O)[O-])c1 ZINC000776496848 653351808 /nfs/dbraw/zinc/35/18/08/653351808.db2.gz ZTSBASSFPHGHKY-UHFFFAOYSA-N -2 3 386.813 2.392 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1cc(F)ccc1F ZINC000776505633 653352975 /nfs/dbraw/zinc/35/29/75/653352975.db2.gz LJNKJPPJOBWAIZ-LLVKDONJSA-N -2 3 396.165 2.425 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](CC2CCCC2)C(=O)[O-])s1 ZINC000776551541 653356925 /nfs/dbraw/zinc/35/69/25/653356925.db2.gz HXGUWRNEGHLZLQ-LLVKDONJSA-N -2 3 375.468 2.094 20 0 GEADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@H](C)CCC[C@@H](C)C(=O)[O-] ZINC000776574253 653360316 /nfs/dbraw/zinc/36/03/16/653360316.db2.gz PHSBBZCTKQBDTF-NXEZZACHSA-N -2 3 392.861 2.079 20 0 GEADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H](CC(=O)[O-])C1CC1 ZINC000776575558 653360914 /nfs/dbraw/zinc/36/09/14/653360914.db2.gz RYMCCADAVBGTQM-LLVKDONJSA-N -2 3 383.447 2.220 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-]CC[C@H](C)C(=O)[O-])c(Cl)cc1Cl ZINC000776586381 653361710 /nfs/dbraw/zinc/36/17/10/653361710.db2.gz CRXSUTJOOZXSHT-ZETCQYMHSA-N -2 3 384.237 2.169 20 0 GEADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])CC(C)(C)C)c1 ZINC000776590021 653362327 /nfs/dbraw/zinc/36/23/27/653362327.db2.gz YSJACJLCQLJYSV-NSHDSACASA-N -2 3 375.418 2.170 20 0 GEADHL Cn1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc3ccccc3c2)nc1Cl ZINC000776595241 653362807 /nfs/dbraw/zinc/36/28/07/653362807.db2.gz CZMBWLKYLVUWPS-CQSZACIVSA-N -2 3 379.825 2.331 20 0 GEADHL CC[C@H](CC[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)C(=O)[O-] ZINC000837293527 653423088 /nfs/dbraw/zinc/42/30/88/653423088.db2.gz XLSJQEFTVPJANG-SSDOTTSWSA-N -2 3 385.667 2.277 20 0 GEADHL CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1nc(Br)ccc1[O-] ZINC000783904224 653686371 /nfs/dbraw/zinc/68/63/71/653686371.db2.gz CLVZJUVUIZHHRE-UHFFFAOYSA-N -2 3 386.227 2.174 20 0 GEADHL Cc1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CC2)c(F)cc1Br ZINC000840786155 653693908 /nfs/dbraw/zinc/69/39/08/653693908.db2.gz SUMNPHCYGPANQN-NSHDSACASA-N -2 3 380.235 2.428 20 0 GEADHL CC[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000840889660 653697757 /nfs/dbraw/zinc/69/77/57/653697757.db2.gz GHGYQJKVJOPCCK-ZETCQYMHSA-N -2 3 391.314 2.299 20 0 GEADHL CC[C@@](C)(C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br)OC ZINC000840892642 653698350 /nfs/dbraw/zinc/69/83/50/653698350.db2.gz WSNWPXRVNLOKFU-NSHDSACASA-N -2 3 386.289 2.302 20 0 GEADHL Cc1nc(S(=O)(=O)[N-][C@@H](COC(C)C)C(=O)[O-])c(-c2ccccc2)s1 ZINC000863417890 653711394 /nfs/dbraw/zinc/71/13/94/653711394.db2.gz YXBUIAMDUFVRNU-ZDUSSCGKSA-N -2 3 384.479 2.275 20 0 GEADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](C)[C@H](C(=O)[O-])C(C)C)c1 ZINC000819088986 653742864 /nfs/dbraw/zinc/74/28/64/653742864.db2.gz GVYXOKJOMHQIFH-IINYFYTJSA-N -2 3 375.418 2.026 20 0 GEADHL O=C([O-])/C=C/C[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000788444793 653756807 /nfs/dbraw/zinc/75/68/07/653756807.db2.gz BGJNDVFEOZFTKJ-OWOJBTEDSA-N -2 3 388.161 2.387 20 0 GEADHL O=S(=O)([N-]c1ncc(-c2nnn[n-]2)s1)c1cccc(C(F)(F)F)c1 ZINC000823589070 653873419 /nfs/dbraw/zinc/87/34/19/653873419.db2.gz LFYTWKJTDFSOBC-UHFFFAOYSA-N -2 3 376.345 2.143 20 0 GEADHL CCC(CC)(C[N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1F)C(=O)[O-] ZINC000846771149 653909543 /nfs/dbraw/zinc/90/95/43/653909543.db2.gz ZMDVCFRXPUPNMA-UHFFFAOYSA-N -2 3 375.418 2.090 20 0 GEADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-]CCCCCCC(=O)[O-])c1 ZINC000846772565 653909963 /nfs/dbraw/zinc/90/99/63/653909963.db2.gz IPXJQFZTHLNOJO-UHFFFAOYSA-N -2 3 375.418 2.234 20 0 GEADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccsc2)c1 ZINC000794760109 653918839 /nfs/dbraw/zinc/91/88/39/653918839.db2.gz CLCPBVBSWUMRBH-CYBMUJFWSA-N -2 3 387.410 2.168 20 0 GEADHL COC(=O)c1sc(S(=O)(=O)[N-][C@@H](CC2CC2)C(=O)[O-])c(C)c1Cl ZINC000794767626 653919798 /nfs/dbraw/zinc/91/97/98/653919798.db2.gz RJNVVSDFTJVQIL-QMMMGPOBSA-N -2 3 381.859 2.028 20 0 GEADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826334166 653949749 /nfs/dbraw/zinc/94/97/49/653949749.db2.gz KLVFHWOUZCMXLX-UHFFFAOYSA-N -2 3 388.240 2.016 20 0 GEADHL O=S(=O)([N-]c1ccccc1-c1nn[n-]n1)c1c(Cl)nc2sccn21 ZINC000826493057 653952077 /nfs/dbraw/zinc/95/20/77/653952077.db2.gz QQYNFAVAYRQBPB-UHFFFAOYSA-N -2 3 381.830 2.030 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccc(F)cc2)s1 ZINC000917723316 654132020 /nfs/dbraw/zinc/13/20/20/654132020.db2.gz WWTVSNACBKZIMC-LLVKDONJSA-N -2 3 387.410 2.168 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]([C@@H]2CCOC2)C(F)(F)F)ccc1Cl ZINC000903519395 654247294 /nfs/dbraw/zinc/24/72/94/654247294.db2.gz DESGZUKECHLDCE-RDDDGLTNSA-N -2 3 387.763 2.284 20 0 GEADHL COC(=O)c1sc(S(=O)(=O)[N-]C[C@H](C(=O)[O-])C2CCC2)c(C)c1Cl ZINC000853024813 654272910 /nfs/dbraw/zinc/27/29/10/654272910.db2.gz PTWPTGHMSBVSNY-VIFPVBQESA-N -2 3 395.886 2.276 20 0 GEADHL CCC1([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)CCOCC1 ZINC000871929622 654282315 /nfs/dbraw/zinc/28/23/15/654282315.db2.gz DDUJEKULTCFSTQ-UHFFFAOYSA-N -2 3 398.300 2.446 20 0 GEADHL COC(C)(C)[C@H](C)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000903887137 654289882 /nfs/dbraw/zinc/28/98/82/654289882.db2.gz ZLYNILMDTDWSJL-LURJTMIESA-N -2 3 386.289 2.301 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]C[C@H](SCC(=O)[O-])C(F)(F)F)sc1C ZINC000871999540 654306581 /nfs/dbraw/zinc/30/65/81/654306581.db2.gz PTRYTIOCZRKSIK-QMMMGPOBSA-N -2 3 377.431 2.392 20 0 GEADHL C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000872000023 654306866 /nfs/dbraw/zinc/30/68/66/654306866.db2.gz FRQGNJILBFYWMW-JTGULSINSA-N -2 3 398.300 2.299 20 0 GEADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C[C@@H]2CCCO2)C(=O)[O-])s1 ZINC000906002445 654399258 /nfs/dbraw/zinc/39/92/58/654399258.db2.gz XXOJYWYKUIAFOS-WPRPVWTQSA-N -2 3 398.300 2.120 20 0 GEADHL O=C([O-])[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)[C@H]2C[C@H]21 ZINC000926603177 654577213 /nfs/dbraw/zinc/57/72/13/654577213.db2.gz BRRMYTSNRILNBC-XAVMHZPKSA-N -2 3 383.319 2.112 20 0 GEADHL O=C([O-])[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)[C@H]2C[C@H]21 ZINC000926605894 654577667 /nfs/dbraw/zinc/57/76/67/654577667.db2.gz ZCMIYZSMTHDUFC-LOKLDPHHSA-N -2 3 394.674 2.490 20 0 GEADHL CS(=O)(=O)[N-]c1nnc(NC(=O)c2cc3cc(Cl)sc3[n-]2)s1 ZINC000485886148 531439441 /nfs/dbraw/zinc/43/94/41/531439441.db2.gz YQPWKTHJXYSERZ-UHFFFAOYSA-N -2 3 377.860 2.358 20 0 GEADHL O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000152778411 531569964 /nfs/dbraw/zinc/56/99/64/531569964.db2.gz HWLJZGFHQZYNFU-UHFFFAOYSA-N -2 3 380.773 2.229 20 0 GEADHL O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000152778411 531569969 /nfs/dbraw/zinc/56/99/69/531569969.db2.gz HWLJZGFHQZYNFU-UHFFFAOYSA-N -2 3 380.773 2.229 20 0 GEADHL Cn1cc(S(=O)(=O)[N-]c2ccc(F)cc2Br)cc1C(=O)[O-] ZINC000020430675 531583337 /nfs/dbraw/zinc/58/33/37/531583337.db2.gz YODCTIJURHZPCX-UHFFFAOYSA-N -2 3 377.191 2.426 20 0 GEADHL CCc1ccc(S(=O)(=O)[N-]c2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)s1 ZINC000055586480 531795717 /nfs/dbraw/zinc/79/57/17/531795717.db2.gz JKEBLWUZGFFEOO-MRXNPFEDSA-N -2 3 379.463 2.166 20 0 GEADHL COc1ccc(Br)cc1S(=O)(=O)[N-]C1(CC(=O)[O-])CCC1 ZINC000123363947 532098916 /nfs/dbraw/zinc/09/89/16/532098916.db2.gz IPYXJOITHZCYSM-UHFFFAOYSA-N -2 3 378.244 2.133 20 0 GEADHL COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)CCCC(=O)[O-] ZINC000131862629 532205401 /nfs/dbraw/zinc/20/54/01/532205401.db2.gz RUBGNRYXOJODNN-SECBINFHSA-N -2 3 380.260 2.379 20 0 GEADHL CC[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1OC)CC(=O)[O-] ZINC000147325000 532299035 /nfs/dbraw/zinc/29/90/35/532299035.db2.gz WJGOQWFZHMKUIR-VIFPVBQESA-N -2 3 380.260 2.237 20 0 GEADHL C[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)N1CCC[C@H](C)C1 ZINC000184915489 532335891 /nfs/dbraw/zinc/33/58/91/532335891.db2.gz SUJYDYLUWTZGMP-QWRGUYRKSA-N -2 3 376.425 2.062 20 0 GEADHL Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1nc(Br)ccc1[O-] ZINC000188337212 532347776 /nfs/dbraw/zinc/34/77/76/532347776.db2.gz ACQSQRGOXAHXGX-UHFFFAOYSA-N -2 3 381.230 2.491 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(C(=O)N=c2nc(-c3ccsc3)[n-]s2)cc1 ZINC000557811220 532374815 /nfs/dbraw/zinc/37/48/15/532374815.db2.gz YBLHTNNMUSCLKX-UHFFFAOYSA-N -2 3 380.476 2.312 20 0 GEADHL Cc1oc(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1C(=O)[O-] ZINC000516075914 532377679 /nfs/dbraw/zinc/37/76/79/532377679.db2.gz JKUAIXJOYCWHGM-UHFFFAOYSA-N -2 3 384.479 2.291 20 0 GEADHL CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000278514139 532384149 /nfs/dbraw/zinc/38/41/49/532384149.db2.gz BDLSNKPGFZQRBH-ZDUSSCGKSA-N -2 3 384.479 2.264 20 0 GEADHL COC(=O)Cc1ccc(S(=O)(=O)[N-][C@H](CC2CCCCC2)C(=O)[O-])s1 ZINC000558686455 532397851 /nfs/dbraw/zinc/39/78/51/532397851.db2.gz FLXHCGMKZNTVMH-CYBMUJFWSA-N -2 3 389.495 2.166 20 0 GEADHL Cc1nc(C2([N-]S(=O)(=O)c3cc(Cl)cc(C(=O)[O-])c3)CCCC2)no1 ZINC000517187695 532408367 /nfs/dbraw/zinc/40/83/67/532408367.db2.gz VFEDBKVHLCPORL-UHFFFAOYSA-N -2 3 385.829 2.477 20 0 GEADHL O=C(c1ccc([O-])c(F)c1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000681016419 532421152 /nfs/dbraw/zinc/42/11/52/532421152.db2.gz VXCAIEAWWFPMDW-UHFFFAOYSA-N -2 3 384.454 2.176 20 0 GEADHL CC(C)c1nc(S(=O)(=O)[N-]C[C@H](Cc2cccc(Cl)c2)C(=O)[O-])c[nH]1 ZINC000681570370 532432239 /nfs/dbraw/zinc/43/22/39/532432239.db2.gz KUCZDJQUKAJFHC-LBPRGKRZSA-N -2 3 385.873 2.408 20 0 GEADHL C[C@@H](C(=O)[O-])N(C)C(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000427989360 532439854 /nfs/dbraw/zinc/43/98/54/532439854.db2.gz SCYOZAHSWWJXRK-NSHDSACASA-N -2 3 388.511 2.294 20 0 GEADHL COC1(C[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)C(=O)[O-])CCC1 ZINC000650433029 532446691 /nfs/dbraw/zinc/44/66/91/532446691.db2.gz ONFRWZNVUQAFAA-MRVPVSSYSA-N -2 3 387.401 2.458 20 0 GEADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C1([C@H](C)C(=O)[O-])CC1 ZINC000650427498 532447317 /nfs/dbraw/zinc/44/73/17/532447317.db2.gz LAFBGMZEQQBCCM-SSDOTTSWSA-N -2 3 396.234 2.128 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@H]2[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000562546833 532471875 /nfs/dbraw/zinc/47/18/75/532471875.db2.gz OZMNEEOJYDAYCK-JYAVWHMHSA-N -2 3 376.475 2.054 20 0 GEADHL Cc1sc(Br)cc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)F ZINC000685209796 532491507 /nfs/dbraw/zinc/49/15/07/532491507.db2.gz GIZWYXACDBETNC-ZCFIWIBFSA-N -2 3 392.243 2.453 20 0 GEADHL O=C([O-])[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000521202859 532507228 /nfs/dbraw/zinc/50/72/28/532507228.db2.gz QHAVRAQIQWWZND-GHMZBOCLSA-N -2 3 386.857 2.004 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)[C@H]1CCCO1 ZINC000630423162 532519243 /nfs/dbraw/zinc/51/92/43/532519243.db2.gz PJHHRLUYJQZKHT-KOLCDFICSA-N -2 3 398.662 2.013 20 0 GEADHL CCC(=O)C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000283040580 532515705 /nfs/dbraw/zinc/51/57/05/532515705.db2.gz RGWRVZFOUMHBQA-JTQLQIEISA-N -2 3 398.662 2.203 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)[C@@H]1CCCO1 ZINC000630422177 532518468 /nfs/dbraw/zinc/51/84/68/532518468.db2.gz KSJJQQIOLHNTTO-QWRGUYRKSA-N -2 3 398.662 2.013 20 0 GEADHL CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000564855535 532535177 /nfs/dbraw/zinc/53/51/77/532535177.db2.gz FLNIUTYJTHPACY-PSLIRLAXSA-N -2 3 388.873 2.248 20 0 GEADHL COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC(C)(C)C(=O)[O-] ZINC000526061488 532539145 /nfs/dbraw/zinc/53/91/45/532539145.db2.gz KDAASDXCYRNSRB-JTQLQIEISA-N -2 3 379.862 2.143 20 0 GEADHL COc1ccsc1S(=O)(=O)[N-]c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000471129122 532543131 /nfs/dbraw/zinc/54/31/31/532543131.db2.gz LGHHOWNTJCEHOA-UHFFFAOYSA-N -2 3 380.444 2.068 20 0 GEADHL COc1cc(Br)c(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)cc1Cl ZINC000296878421 532550527 /nfs/dbraw/zinc/55/05/27/532550527.db2.gz FGWSYPBQVBLYJV-UHFFFAOYSA-N -2 3 398.662 2.254 20 0 GEADHL O=C([O-])[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000297098572 532566285 /nfs/dbraw/zinc/56/62/85/532566285.db2.gz YWOLQWVWNJZSKK-PSASIEDQSA-N -2 3 380.235 2.367 20 0 GEADHL COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C ZINC000262335121 532590403 /nfs/dbraw/zinc/59/04/03/532590403.db2.gz BQMIKDFAWHNKIJ-YGRLFVJLSA-N -2 3 379.862 2.141 20 0 GEADHL CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CCC(=O)[O-])s1 ZINC000297251854 532577202 /nfs/dbraw/zinc/57/72/02/532577202.db2.gz QSSOQRGFUBRZLY-JSGCOSHPSA-N -2 3 388.511 2.086 20 0 GEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@H](C)C[C@H]1CCCO1 ZINC000566559731 532615892 /nfs/dbraw/zinc/61/58/92/532615892.db2.gz UZGUSNQJSXMSNG-MWLCHTKSSA-N -2 3 377.846 2.283 20 0 GEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000566558348 532616091 /nfs/dbraw/zinc/61/60/91/532616091.db2.gz AHQXGUIPHZQNDU-CUOATXAZSA-N -2 3 389.857 2.139 20 0 GEADHL O=C([O-])c1c(Br)cccc1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000530144606 532617227 /nfs/dbraw/zinc/61/72/27/532617227.db2.gz IEEKYDLNZCIZBQ-SECBINFHSA-N -2 3 378.244 2.458 20 0 GEADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474437540 532618327 /nfs/dbraw/zinc/61/83/27/532618327.db2.gz HVWXCLGRUOVRJU-ZETCQYMHSA-N -2 3 391.808 2.095 20 0 GEADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CC1CCC1)C(=O)[O-] ZINC000530420321 532619150 /nfs/dbraw/zinc/61/91/50/532619150.db2.gz BHEJZGZSFBAFCT-GFCCVEGCSA-N -2 3 375.830 2.048 20 0 GEADHL CO[C@H](C[C@@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)[O-])C1CC1 ZINC000656169407 532606789 /nfs/dbraw/zinc/60/67/89/532606789.db2.gz OKCGGCXGLBWKKN-VXGBXAGGSA-N -2 3 381.372 2.252 20 0 GEADHL CO[C@H](C[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-])C1CC1 ZINC000656168718 532606798 /nfs/dbraw/zinc/60/67/98/532606798.db2.gz KASYVTWOKWGWNP-DTWKUNHWSA-N -2 3 398.300 2.057 20 0 GEADHL CO[C@H](CS(=O)(=O)[N-]c1cc(Cl)c(Cl)c(C(=O)[O-])c1)[C@H]1CCOC1 ZINC000656625169 532626713 /nfs/dbraw/zinc/62/67/13/532626713.db2.gz XTNCNVNRIYFMMZ-QPUJVOFHSA-N -2 3 398.264 2.485 20 0 GEADHL CO[C@@H](CS(=O)(=O)[N-]c1cc(C)ccc1[N-]S(C)(=O)=O)C1CCCC1 ZINC000656625157 532627165 /nfs/dbraw/zinc/62/71/65/532627165.db2.gz XMLMWMUDHGHFFE-INIZCTEOSA-N -2 3 390.527 2.313 20 0 GEADHL CC(=O)N1CCc2sc(S(=O)(=O)[N-]c3cc([O-])c(F)cc3F)cc2C1 ZINC000656632695 532627920 /nfs/dbraw/zinc/62/79/20/532627920.db2.gz ZCHSNBGHNFINIB-UHFFFAOYSA-N -2 3 388.417 2.437 20 0 GEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@@H]1[C@@H](C)[C@H](OC)C1(C)C ZINC000567231778 532646252 /nfs/dbraw/zinc/64/62/52/532646252.db2.gz SUOSJSPHPGIIGT-WZYXQFPFSA-N -2 3 391.873 2.385 20 0 GEADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1CC(=O)[O-] ZINC000569203684 532692785 /nfs/dbraw/zinc/69/27/85/532692785.db2.gz RFRCXONXOZVQKY-ZWNOBZJWSA-N -2 3 389.857 2.438 20 0 GEADHL CS(=O)(=O)[N-]c1cncc(C(=O)Nc2ccc(Br)cc2[O-])c1 ZINC000536594587 532695541 /nfs/dbraw/zinc/69/55/41/532695541.db2.gz SLZGEIZKBUGNLB-UHFFFAOYSA-N -2 3 386.227 2.174 20 0 GEADHL COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C)[C@@H](C(=O)[O-])C(C)C)c1 ZINC000569686343 532703796 /nfs/dbraw/zinc/70/37/96/532703796.db2.gz FIEKWVJBAIPJSW-ZANVPECISA-N -2 3 394.287 2.481 20 0 GEADHL Cc1csc(C[N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)n1 ZINC000574576659 532714703 /nfs/dbraw/zinc/71/47/03/532714703.db2.gz POHIVNCGHVJCKJ-UHFFFAOYSA-N -2 3 384.479 2.482 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@H]2CC23CCCCC3)c(F)c1 ZINC000538844105 532721389 /nfs/dbraw/zinc/72/13/89/532721389.db2.gz ZCXYAVWYOSARFS-AWEZNQCLSA-N -2 3 376.475 2.198 20 0 GEADHL COc1cccc([C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)N(C)C)c1 ZINC000267146123 532734266 /nfs/dbraw/zinc/73/42/66/532734266.db2.gz KHZQRJGBURRASX-AWEZNQCLSA-N -2 3 384.479 2.036 20 0 GEADHL CC(C)Cc1nc(=NC(=O)c2ccc(Cl)c([N-]S(C)(=O)=O)c2)s[n-]1 ZINC000618347785 532756456 /nfs/dbraw/zinc/75/64/56/532756456.db2.gz RUFBSJOXWGIBQF-UHFFFAOYSA-N -2 3 388.902 2.436 20 0 GEADHL CS[C@H](C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(C)(C)C ZINC000541309942 532751459 /nfs/dbraw/zinc/75/14/59/532751459.db2.gz RRSDUAMXPSKNKG-CYBMUJFWSA-N -2 3 398.547 2.253 20 0 GEADHL CCOc1cc([N-]S(=O)(=O)CCOC(C)C)c(C(=O)[O-])cc1OCC ZINC000542729037 532777222 /nfs/dbraw/zinc/77/72/22/532777222.db2.gz WRSJFIIRASHRDU-UHFFFAOYSA-N -2 3 375.443 2.349 20 0 GEADHL O=C([O-])[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000312717201 532778586 /nfs/dbraw/zinc/77/85/86/532778586.db2.gz ULCMJYIVNDFDEM-MRVPVSSYSA-N -2 3 376.150 2.133 20 0 GEADHL N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CC(=O)c1cccs1)C(=O)[O-] ZINC000547570746 532787095 /nfs/dbraw/zinc/78/70/95/532787095.db2.gz ZUDFIKMHPCAEEA-NSHDSACASA-N -2 3 398.849 2.278 20 0 GEADHL COc1ccc(Br)c(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCC2)c1 ZINC000547612663 532787872 /nfs/dbraw/zinc/78/78/72/532787872.db2.gz OFWRSKFUXHFTIU-UHFFFAOYSA-N -2 3 392.271 2.381 20 0 GEADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]CCC(C)(C)CCC(=O)[O-] ZINC000547611711 532787914 /nfs/dbraw/zinc/78/79/14/532787914.db2.gz CFBBRGSSPXQMGR-UHFFFAOYSA-N -2 3 375.418 2.172 20 0 GEADHL CCn1cc(S(=O)(=O)[N-]C[C@@H](Cc2ccccc2Cl)C(=O)[O-])nc1C ZINC000548203956 532788865 /nfs/dbraw/zinc/78/88/65/532788865.db2.gz WYVOLPPFHZEUCF-CYBMUJFWSA-N -2 3 385.873 2.087 20 0 GEADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cnn(C)c2)c1Cl ZINC000548204425 532788990 /nfs/dbraw/zinc/78/89/90/532788990.db2.gz YGRSHUROICEFNA-NSHDSACASA-N -2 3 378.237 2.140 20 0 GEADHL Cn1cc([C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C(=O)[O-])cn1 ZINC000327168615 532791406 /nfs/dbraw/zinc/79/14/06/532791406.db2.gz USTLWIHCFVZWDI-NSHDSACASA-N -2 3 397.762 2.197 20 0 GEADHL O=C([O-])COc1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000548578475 532792394 /nfs/dbraw/zinc/79/23/94/532792394.db2.gz ZLAGTNMDWKRXLG-UHFFFAOYSA-N -2 3 375.855 2.386 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCSC2)c(Br)cc1F ZINC000273746347 532833106 /nfs/dbraw/zinc/83/31/06/532833106.db2.gz PGWVCGFGTBBRPF-SSDOTTSWSA-N -2 3 398.275 2.460 20 0 GEADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H](C)CCC(=O)[O-] ZINC000274917587 532859602 /nfs/dbraw/zinc/85/96/02/532859602.db2.gz AHBSSVBSFDKTEB-SSDOTTSWSA-N -2 3 384.223 2.128 20 0 GEADHL COC(=O)Cc1ccc(S(=O)(=O)[N-][C@H]2CCCCCC[C@H]2C(=O)[O-])s1 ZINC000275055421 532862877 /nfs/dbraw/zinc/86/28/77/532862877.db2.gz TUEAUKPUNNBJOY-OLZOCXBDSA-N -2 3 389.495 2.166 20 0 GEADHL O=C([O-])[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000275372346 532874116 /nfs/dbraw/zinc/87/41/16/532874116.db2.gz YVLQFNTVBGPNHU-MRVPVSSYSA-N -2 3 394.140 2.272 20 0 GEADHL COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H](CCC(C)(C)C)C(=O)[O-] ZINC000417443644 532879911 /nfs/dbraw/zinc/87/99/11/532879911.db2.gz ZCKXVEPQJAFUAK-JTQLQIEISA-N -2 3 377.484 2.401 20 0 GEADHL O=C([O-])[C@@H]1C=C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000276894146 532903114 /nfs/dbraw/zinc/90/31/14/532903114.db2.gz KPYOFUVWBJXORT-HTQZYQBOSA-N -2 3 380.647 2.410 20 0 GEADHL O=C([O-])[C@]1([N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)CCOC1 ZINC000367254375 532924096 /nfs/dbraw/zinc/92/40/96/532924096.db2.gz VUQINRRZVYGGKH-INIZCTEOSA-N -2 3 389.857 2.041 20 0 GEADHL O=S(=O)([N-]c1cccc(OC(F)F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738341129 598844069 /nfs/dbraw/zinc/84/40/69/598844069.db2.gz FYOHFCAIIMWMII-UHFFFAOYSA-N -2 3 385.327 2.408 20 0 GEADHL O=S(=O)([N-]c1cccc(OC(F)F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738341129 598844070 /nfs/dbraw/zinc/84/40/70/598844070.db2.gz FYOHFCAIIMWMII-UHFFFAOYSA-N -2 3 385.327 2.408 20 0 GEADHL Cc1cc(C)c([N-]S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c(C(=O)[O-])c1 ZINC000737249249 598844099 /nfs/dbraw/zinc/84/40/99/598844099.db2.gz USYKGNQLWAAPMM-UHFFFAOYSA-N -3 3 391.384 2.122 20 0 GEADHL Cc1cc(C)c([N-]S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c(C(=O)[O-])c1 ZINC000737249249 598844100 /nfs/dbraw/zinc/84/41/00/598844100.db2.gz USYKGNQLWAAPMM-UHFFFAOYSA-N -3 3 391.384 2.122 20 0 GEADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000737239049 598867289 /nfs/dbraw/zinc/86/72/89/598867289.db2.gz YXXKIPWNMNKFJC-UHFFFAOYSA-N -3 3 393.812 2.328 20 0 GEADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000737239049 598867291 /nfs/dbraw/zinc/86/72/91/598867291.db2.gz YXXKIPWNMNKFJC-UHFFFAOYSA-N -3 3 393.812 2.328 20 0 GEADHL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000738214397 598867548 /nfs/dbraw/zinc/86/75/48/598867548.db2.gz MCRLBPKNJPMVCZ-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000738214397 598867550 /nfs/dbraw/zinc/86/75/50/598867550.db2.gz MCRLBPKNJPMVCZ-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000736352842 598924844 /nfs/dbraw/zinc/92/48/44/598924844.db2.gz ZZRBJIMQGPYWMP-CQSZACIVSA-N -2 3 391.497 2.419 20 0 GEADHL CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000736352842 598924845 /nfs/dbraw/zinc/92/48/45/598924845.db2.gz ZZRBJIMQGPYWMP-CQSZACIVSA-N -2 3 391.497 2.419 20 0 GEADHL CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736352172 598924849 /nfs/dbraw/zinc/92/48/49/598924849.db2.gz WYYLGSDJKBYSFA-CYBMUJFWSA-N -2 3 377.470 2.278 20 0 GEADHL CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736352172 598924850 /nfs/dbraw/zinc/92/48/50/598924850.db2.gz WYYLGSDJKBYSFA-CYBMUJFWSA-N -2 3 377.470 2.278 20 0 GEADHL COCCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000737012999 598948027 /nfs/dbraw/zinc/94/80/27/598948027.db2.gz DBFRWNTUDWQENG-UHFFFAOYSA-N -2 3 389.437 2.001 20 0 GEADHL COCCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000737012999 598948029 /nfs/dbraw/zinc/94/80/29/598948029.db2.gz DBFRWNTUDWQENG-UHFFFAOYSA-N -2 3 389.437 2.001 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1cc2ccccc2o1 ZINC000737300425 598975021 /nfs/dbraw/zinc/97/50/21/598975021.db2.gz WUGFYLIANOFRTN-UHFFFAOYSA-N -2 3 383.389 2.040 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1cc2ccccc2o1 ZINC000737300425 598975023 /nfs/dbraw/zinc/97/50/23/598975023.db2.gz WUGFYLIANOFRTN-UHFFFAOYSA-N -2 3 383.389 2.040 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccc(Br)cn1 ZINC000737223578 599029584 /nfs/dbraw/zinc/02/95/84/599029584.db2.gz AANGHIOZNGZBEH-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL Cc1ccccc1[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737421809 599190725 /nfs/dbraw/zinc/19/07/25/599190725.db2.gz MKGPMAXRUPRFKM-CQSZACIVSA-N -2 3 399.476 2.315 20 0 GEADHL Cc1ccccc1[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737421809 599190727 /nfs/dbraw/zinc/19/07/27/599190727.db2.gz MKGPMAXRUPRFKM-CQSZACIVSA-N -2 3 399.476 2.315 20 0 GEADHL Cc1ccccc1[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000737422975 599190799 /nfs/dbraw/zinc/19/07/99/599190799.db2.gz PXDYFWYUJFABMG-AWEZNQCLSA-N -2 3 399.476 2.482 20 0 GEADHL Cc1ccccc1[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000737422975 599190802 /nfs/dbraw/zinc/19/08/02/599190802.db2.gz PXDYFWYUJFABMG-AWEZNQCLSA-N -2 3 399.476 2.482 20 0 GEADHL O=S(=O)([N-]c1ccc(N2CCCCC2)cn1)c1cccc(-c2nnn[n-]2)c1 ZINC000738342831 599194063 /nfs/dbraw/zinc/19/40/63/599194063.db2.gz QYWDKEUEXXNPHP-UHFFFAOYSA-N -2 3 385.453 2.053 20 0 GEADHL O=S(=O)([N-]c1ccc(N2CCCCC2)cn1)c1cccc(-c2nn[n-]n2)c1 ZINC000738342831 599194066 /nfs/dbraw/zinc/19/40/66/599194066.db2.gz QYWDKEUEXXNPHP-UHFFFAOYSA-N -2 3 385.453 2.053 20 0 GEADHL Cc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1C(=O)[O-] ZINC000737399204 599197924 /nfs/dbraw/zinc/19/79/24/599197924.db2.gz ISXDVINIAKHVRS-UHFFFAOYSA-N -3 3 393.812 2.328 20 0 GEADHL Cc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c1C(=O)[O-] ZINC000737399204 599197926 /nfs/dbraw/zinc/19/79/26/599197926.db2.gz ISXDVINIAKHVRS-UHFFFAOYSA-N -3 3 393.812 2.328 20 0 GEADHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(-c4nn[n-]n4)cn3)cc(Cl)c2O1 ZINC000820814247 599230063 /nfs/dbraw/zinc/23/00/63/599230063.db2.gz UAOGRULGWRGSLT-QMMMGPOBSA-N -2 3 392.828 2.039 20 0 GEADHL O=S(=O)([N-]c1ccccc1CC(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000738340988 599237572 /nfs/dbraw/zinc/23/75/72/599237572.db2.gz AYRYXACPMWRKNC-UHFFFAOYSA-N -2 3 384.343 2.167 20 0 GEADHL O=S(=O)([N-]c1ccccc1CC(F)(F)F)c1ccc(-c2nn[n-]n2)nc1 ZINC000738340988 599237574 /nfs/dbraw/zinc/23/75/74/599237574.db2.gz AYRYXACPMWRKNC-UHFFFAOYSA-N -2 3 384.343 2.167 20 0 GEADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000818985455 597270143 /nfs/dbraw/zinc/27/01/43/597270143.db2.gz BRVTWSABZBHFJB-SFHVURJKSA-N -2 3 392.415 2.015 20 0 GEADHL C[C@H](C(=O)[O-])N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000675989614 597465882 /nfs/dbraw/zinc/46/58/82/597465882.db2.gz KNUUFPHNYYIYQU-LLVKDONJSA-N -2 3 380.397 2.172 20 0 GEADHL CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000820841897 607328481 /nfs/dbraw/zinc/32/84/81/607328481.db2.gz HEVQLHIJWXYRDV-UHFFFAOYSA-N -2 3 375.385 2.399 20 0 GEADHL CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000820841897 607328482 /nfs/dbraw/zinc/32/84/82/607328482.db2.gz HEVQLHIJWXYRDV-UHFFFAOYSA-N -2 3 375.385 2.399 20 0 GEADHL Cc1ccc(-c2nc(NC(=O)C3=NN(c4ccccc4)[C@@H](C(=O)[O-])C3)n[n-]2)o1 ZINC000821058624 598213193 /nfs/dbraw/zinc/21/31/93/598213193.db2.gz YYWKEVWNYITXJX-CYBMUJFWSA-N -2 3 380.364 2.031 20 0 GEADHL O=C(Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)c1ncccc1[O-] ZINC000738209019 598286324 /nfs/dbraw/zinc/28/63/24/598286324.db2.gz QOHRAXJWSXDGEB-UHFFFAOYSA-N -2 3 379.405 2.267 20 0 GEADHL C[C@H](CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000735974843 598306375 /nfs/dbraw/zinc/30/63/75/598306375.db2.gz JZOGHOACFPYBTK-CYBMUJFWSA-N -2 3 391.497 2.419 20 0 GEADHL C[C@H](CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000735974843 598306377 /nfs/dbraw/zinc/30/63/77/598306377.db2.gz JZOGHOACFPYBTK-CYBMUJFWSA-N -2 3 391.497 2.419 20 0 GEADHL C[C@H](CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1F ZINC000735974416 598372017 /nfs/dbraw/zinc/37/20/17/598372017.db2.gz HEAYNIOMZKIAGU-LLVKDONJSA-N -2 3 389.412 2.005 20 0 GEADHL C[C@H](CC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1F ZINC000735974416 598372019 /nfs/dbraw/zinc/37/20/19/598372019.db2.gz HEAYNIOMZKIAGU-LLVKDONJSA-N -2 3 389.412 2.005 20 0 GEADHL O=S(=O)([N-]c1ccnn1Cc1ccccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000738338164 598375021 /nfs/dbraw/zinc/37/50/21/598375021.db2.gz CYFUQGSAMSZNTM-UHFFFAOYSA-N -2 3 399.411 2.051 20 0 GEADHL O=S(=O)([N-]c1ccnn1Cc1ccccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000738338164 598375022 /nfs/dbraw/zinc/37/50/22/598375022.db2.gz CYFUQGSAMSZNTM-UHFFFAOYSA-N -2 3 399.411 2.051 20 0 GEADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c(C)c1 ZINC000737313200 598415332 /nfs/dbraw/zinc/41/53/32/598415332.db2.gz RJUHWCOEFSIFNR-UHFFFAOYSA-N -2 3 391.840 2.256 20 0 GEADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c(C)c1 ZINC000737313200 598415334 /nfs/dbraw/zinc/41/53/34/598415334.db2.gz RJUHWCOEFSIFNR-UHFFFAOYSA-N -2 3 391.840 2.256 20 0 GEADHL Cc1ccc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737321144 598415372 /nfs/dbraw/zinc/41/53/72/598415372.db2.gz DQUHGYIMIBQSBJ-UHFFFAOYSA-N -2 3 391.840 2.256 20 0 GEADHL Cc1ccc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737321144 598415374 /nfs/dbraw/zinc/41/53/74/598415374.db2.gz DQUHGYIMIBQSBJ-UHFFFAOYSA-N -2 3 391.840 2.256 20 0 GEADHL CC(C)C[C@H](C)n1nccc1[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735762259 598437274 /nfs/dbraw/zinc/43/72/74/598437274.db2.gz WCQBPCABMPRTGW-LBPRGKRZSA-N -2 3 375.458 2.471 20 0 GEADHL CC(C)C[C@H](C)n1nccc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735762259 598437275 /nfs/dbraw/zinc/43/72/75/598437275.db2.gz WCQBPCABMPRTGW-LBPRGKRZSA-N -2 3 375.458 2.471 20 0 GEADHL CC(C)C[C@H](C)n1nccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735761685 598437672 /nfs/dbraw/zinc/43/76/72/598437672.db2.gz PSYLZLHUDALAQA-LBPRGKRZSA-N -2 3 375.458 2.471 20 0 GEADHL CC(C)C[C@H](C)n1nccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735761685 598437674 /nfs/dbraw/zinc/43/76/74/598437674.db2.gz PSYLZLHUDALAQA-LBPRGKRZSA-N -2 3 375.458 2.471 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n(-c2ccccc2F)n1 ZINC000737281751 598438057 /nfs/dbraw/zinc/43/80/57/598438057.db2.gz YBTRCVUVSSZKJW-UHFFFAOYSA-N -2 3 399.411 2.301 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n(-c2ccccc2F)n1 ZINC000737281751 598438058 /nfs/dbraw/zinc/43/80/58/598438058.db2.gz YBTRCVUVSSZKJW-UHFFFAOYSA-N -2 3 399.411 2.301 20 0 GEADHL Cc1nc(S(=O)(=O)[N-]c2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)c[nH]1 ZINC000737502864 598452503 /nfs/dbraw/zinc/45/25/03/598452503.db2.gz ZLPVGVKDLXYLOQ-UHFFFAOYSA-N -2 3 397.420 2.491 20 0 GEADHL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000819891985 599303094 /nfs/dbraw/zinc/30/30/94/599303094.db2.gz OSJBGFNOQKIUGQ-UHFFFAOYSA-N -3 3 387.421 2.030 20 0 GEADHL Cc1nnc(-c2ccc([N-]S(=O)(=O)c3ccccc3-c3nnn[n-]3)cc2)o1 ZINC000822505682 599304970 /nfs/dbraw/zinc/30/49/70/599304970.db2.gz RGLWHTQIRLPCKA-UHFFFAOYSA-N -2 3 383.393 2.026 20 0 GEADHL Cc1nnc(-c2ccc([N-]S(=O)(=O)c3ccccc3-c3nn[n-]n3)cc2)o1 ZINC000822505682 599304973 /nfs/dbraw/zinc/30/49/73/599304973.db2.gz RGLWHTQIRLPCKA-UHFFFAOYSA-N -2 3 383.393 2.026 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1nc(-c2ccccc2)ns1 ZINC000737301098 599362437 /nfs/dbraw/zinc/36/24/37/599362437.db2.gz HPICOVUGFFSDDF-UHFFFAOYSA-N -2 3 399.461 2.494 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1nc(-c2ccccc2)ns1 ZINC000737301098 599362440 /nfs/dbraw/zinc/36/24/40/599362440.db2.gz HPICOVUGFFSDDF-UHFFFAOYSA-N -2 3 399.461 2.494 20 0 GEADHL Cc1cnn(-c2ccc([N-]S(=O)(=O)c3ccccc3-c3nn[n-]n3)cc2F)c1 ZINC000737442485 599383074 /nfs/dbraw/zinc/38/30/74/599383074.db2.gz GKMKXMBWZROIFN-UHFFFAOYSA-N -2 3 399.411 2.301 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cnn1-c1ccccc1 ZINC000822130592 607376188 /nfs/dbraw/zinc/37/61/88/607376188.db2.gz WUAJMCHEPSKKFU-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cnn1-c1ccccc1 ZINC000822130592 607376190 /nfs/dbraw/zinc/37/61/90/607376190.db2.gz WUAJMCHEPSKKFU-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL COc1ccccc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821903698 607376470 /nfs/dbraw/zinc/37/64/70/607376470.db2.gz LGCAJKGAPGZLAQ-UHFFFAOYSA-N -2 3 389.437 2.463 20 0 GEADHL COc1ccccc1S(=O)(=O)[N-]c1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821903698 607376472 /nfs/dbraw/zinc/37/64/72/607376472.db2.gz LGCAJKGAPGZLAQ-UHFFFAOYSA-N -2 3 389.437 2.463 20 0 GEADHL C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736204473 599515857 /nfs/dbraw/zinc/51/58/57/599515857.db2.gz QCAULMROGYOBGN-CYBMUJFWSA-N -2 3 385.449 2.007 20 0 GEADHL C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736204473 599515858 /nfs/dbraw/zinc/51/58/58/599515858.db2.gz QCAULMROGYOBGN-CYBMUJFWSA-N -2 3 385.449 2.007 20 0 GEADHL C[C@@H](NC(=O)c1nn(-c2ccccc2F)cc1[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820402852 599554438 /nfs/dbraw/zinc/55/44/38/599554438.db2.gz GPISNYTWAJKLIM-LLVKDONJSA-N -2 3 393.382 2.388 20 0 GEADHL CC(C)[C@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000820017455 599619455 /nfs/dbraw/zinc/61/94/55/599619455.db2.gz XMDCBUDBKQADLR-KRWDZBQOSA-N -2 3 399.476 2.253 20 0 GEADHL CC(C)[C@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000820017455 599619456 /nfs/dbraw/zinc/61/94/56/599619456.db2.gz XMDCBUDBKQADLR-KRWDZBQOSA-N -2 3 399.476 2.253 20 0 GEADHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c(C(=O)[O-])c1 ZINC000060360597 599768304 /nfs/dbraw/zinc/76/83/04/599768304.db2.gz KUWJQUFOCSXHBD-UHFFFAOYSA-N -3 3 379.390 2.266 20 0 GEADHL CC[C@](C)([N-]S(=O)(=O)c1cc(Br)cc(F)c1OC)C(=O)[O-] ZINC000736864807 599776569 /nfs/dbraw/zinc/77/65/69/599776569.db2.gz YGFDGVKUUZEPQA-LBPRGKRZSA-N -2 3 384.223 2.128 20 0 GEADHL CCc1noc(-c2ccc(CC[N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)cc2)n1 ZINC000737292363 599778000 /nfs/dbraw/zinc/77/80/00/599778000.db2.gz PNUKQTOFGJVUOV-UHFFFAOYSA-N -2 3 391.405 2.111 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NC[C@@H](C)C(=O)[O-] ZINC000738654691 599779919 /nfs/dbraw/zinc/77/99/19/599779919.db2.gz FWNVIWKIAORTOE-GFCCVEGCSA-N -2 3 394.424 2.385 20 0 GEADHL CSc1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2c(C)nc(C)[n-]c2=O)cc1 ZINC000738199409 599853118 /nfs/dbraw/zinc/85/31/18/599853118.db2.gz AZALBMOGBKTVFA-OAHLLOKOSA-N -2 3 375.450 2.396 20 0 GEADHL Cc1cc(C)[n-]c(=NNS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])n1 ZINC000738378511 600051996 /nfs/dbraw/zinc/05/19/96/600051996.db2.gz HPQNOIXRSIQMGU-UHFFFAOYSA-N -2 3 378.435 2.312 20 0 GEADHL Cc1ccc(C(=O)NCCC(=O)N(CCC(=O)[O-])Cc2ccccc2)c([O-])c1 ZINC000738514858 600361527 /nfs/dbraw/zinc/36/15/27/600361527.db2.gz JHIDWJPBNLOGNZ-UHFFFAOYSA-N -2 3 384.432 2.324 20 0 GEADHL O=C([O-])CCCOc1ccc(CNC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000739685930 600526529 /nfs/dbraw/zinc/52/65/29/600526529.db2.gz GPEYWZIXFRVIHK-UHFFFAOYSA-N -2 3 397.387 2.136 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(C)=O)cc1C(=O)[O-] ZINC000042122950 600541174 /nfs/dbraw/zinc/54/11/74/600541174.db2.gz KOBQBOLKSFQIEN-UHFFFAOYSA-N -2 3 390.417 2.103 20 0 GEADHL COCCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cc1F ZINC000057124293 600543869 /nfs/dbraw/zinc/54/38/69/600543869.db2.gz KTJZYHYFCCRZEN-UHFFFAOYSA-N -2 3 399.396 2.359 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cc1C(=O)N(C)C ZINC000522359061 600612099 /nfs/dbraw/zinc/61/20/99/600612099.db2.gz RLHMNCNQJYJOTQ-UHFFFAOYSA-N -2 3 392.433 2.204 20 0 GEADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1csc2ccc(Cl)cc21 ZINC000826492676 607462378 /nfs/dbraw/zinc/46/23/78/607462378.db2.gz XNDSQFMKCRTQAX-UHFFFAOYSA-N -2 3 381.830 2.259 20 0 GEADHL COC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)ccc1C(=O)[O-] ZINC000831328263 600688050 /nfs/dbraw/zinc/68/80/50/600688050.db2.gz UAWRBMLPGNTIQF-JTQLQIEISA-N -2 3 391.401 2.296 20 0 GEADHL Cc1csc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)n1 ZINC000038090787 600698740 /nfs/dbraw/zinc/69/87/40/600698740.db2.gz LVZJGKBPCPNZRD-UHFFFAOYSA-N -2 3 391.268 2.391 20 0 GEADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000327402886 600775265 /nfs/dbraw/zinc/77/52/65/600775265.db2.gz CHTMGKCKCMUZCM-LBPRGKRZSA-N -2 3 384.797 2.395 20 0 GEADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000776616788 601128912 /nfs/dbraw/zinc/12/89/12/601128912.db2.gz TURCILNZMBKIEZ-MEDUHNTESA-N -2 3 395.408 2.353 20 0 GEADHL Cc1oc(S(=O)(=O)[N-]Cc2ccc(N3CCC(C)CC3)nc2)cc1C(=O)[O-] ZINC000833027483 601217090 /nfs/dbraw/zinc/21/70/90/601217090.db2.gz UTAWZUJKQPSOEQ-UHFFFAOYSA-N -2 3 393.465 2.396 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@H](C)COc2ccc(F)cc2F)cc1C(=O)[O-] ZINC000577726723 601218332 /nfs/dbraw/zinc/21/83/32/601218332.db2.gz DKNOINCRMYBPEN-MRVPVSSYSA-N -2 3 375.349 2.310 20 0 GEADHL CC[C@](C)([N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl)C(=O)[O-] ZINC000828693391 601231258 /nfs/dbraw/zinc/23/12/58/601231258.db2.gz VXIPVFCWWNVGJP-ZDUSSCGKSA-N -2 3 384.237 2.312 20 0 GEADHL O=C([O-])CC1([N-]S(=O)(=O)c2ccc(Br)cn2)CCCCC1 ZINC000833206492 601266273 /nfs/dbraw/zinc/26/62/73/601266273.db2.gz WIVWKHFVHRQGOK-UHFFFAOYSA-N -2 3 377.260 2.300 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCOC3)cc2)ccc1F ZINC000738678235 601332565 /nfs/dbraw/zinc/33/25/65/601332565.db2.gz DBDAQFAEEYKYPN-ZDUSSCGKSA-N -2 3 381.381 2.492 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)cc1C(=O)[O-] ZINC000438713808 601334429 /nfs/dbraw/zinc/33/44/29/601334429.db2.gz GYCMXUPELDTRAQ-UHFFFAOYSA-N -3 3 379.390 2.266 20 0 GEADHL C/C(=C/COC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000825759019 601411614 /nfs/dbraw/zinc/41/16/14/601411614.db2.gz VBQMISCZKPCLKB-TWGQIWQCSA-N -2 3 396.248 2.236 20 0 GEADHL CCOC(=O)c1sc2[n-]c([C@@H](C)N3CC[C@](F)(C(=O)[O-])C3)nc(=O)c2c1C ZINC000829901782 601552820 /nfs/dbraw/zinc/55/28/20/601552820.db2.gz RROJGTZRHBZVDE-VVVCHXIZSA-N -2 3 397.428 2.029 20 0 GEADHL O=C([O-])CN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C1CC1 ZINC000532259444 601746058 /nfs/dbraw/zinc/74/60/58/601746058.db2.gz SUHVJBCYAGLKOM-UHFFFAOYSA-N -2 3 392.408 2.316 20 0 GEADHL CC[C@H](NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl)C(=O)[O-] ZINC000828965068 601754242 /nfs/dbraw/zinc/75/42/42/601754242.db2.gz YBZAHKLMJKVWNA-NSHDSACASA-N -2 3 395.264 2.027 20 0 GEADHL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc(N2CCOCC2)cc1 ZINC000833294984 601848111 /nfs/dbraw/zinc/84/81/11/601848111.db2.gz PYDUWQQXQLEXPR-UHFFFAOYSA-N -2 3 380.397 2.161 20 0 GEADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OCCC(=O)[O-])cc1 ZINC000507567091 601860322 /nfs/dbraw/zinc/86/03/22/601860322.db2.gz MXRRJAPPDQCLTC-UHFFFAOYSA-N -3 3 379.390 2.348 20 0 GEADHL CC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c1C ZINC000824005460 607533125 /nfs/dbraw/zinc/53/31/25/607533125.db2.gz SXHZHZVDOKTOPE-UHFFFAOYSA-N -2 3 386.437 2.243 20 0 GEADHL CCOC(=O)c1[n-]c(C)c(S(=O)(=O)Oc2ccc(CC(=O)[O-])cc2)c1C ZINC000829869688 601934878 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GEADHL COCCC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CCC1 ZINC000831684831 602167026 /nfs/dbraw/zinc/16/70/26/602167026.db2.gz SAGJDAIIXGNNRS-UHFFFAOYSA-N -2 3 396.259 2.225 20 0 GEADHL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@H](C)C(=O)[O-])ccc2C)cc1 ZINC000426703629 602243100 /nfs/dbraw/zinc/24/31/00/602243100.db2.gz HALKXVUDMVTYJU-GFCCVEGCSA-N -2 3 392.433 2.007 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)N[C@H](C)C(=O)[O-] ZINC000426703579 602252827 /nfs/dbraw/zinc/25/28/27/602252827.db2.gz GSLVWEBTJNQRRN-LLVKDONJSA-N -2 3 380.397 2.138 20 0 GEADHL O=C([O-])NCCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000740654774 602350896 /nfs/dbraw/zinc/35/08/96/602350896.db2.gz GRICYYZNEIPGGW-UHFFFAOYSA-N -2 3 395.412 2.014 20 0 GEADHL O=C([O-])N1CC[C@@H](CC[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)C1 ZINC000740497972 602538974 /nfs/dbraw/zinc/53/89/74/602538974.db2.gz PIKJDWIFELMDGL-GFCCVEGCSA-N -2 3 381.479 2.478 20 0 GEADHL C[C@](CNC(=O)[O-])([N-]S(=O)(=O)c1ccc(Br)s1)C1CC1 ZINC000738927838 602709003 /nfs/dbraw/zinc/70/90/03/602709003.db2.gz VTLVEYPNVIEDBR-LLVKDONJSA-N -2 3 383.289 2.225 20 0 GEADHL O=C([O-])Nc1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)c([O-])c1 ZINC000740697920 602841532 /nfs/dbraw/zinc/84/15/32/602841532.db2.gz LTSCZMCAZQOSAN-UHFFFAOYSA-N -2 3 385.420 2.244 20 0 GEADHL CN(CCCNC(=O)[O-])C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000739677146 603236597 /nfs/dbraw/zinc/23/65/97/603236597.db2.gz KHNMHSFOYZMLGI-UHFFFAOYSA-N -2 3 382.214 2.020 20 0 GEADHL CC(C)(CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)NC(=O)[O-] ZINC000823997887 603659784 /nfs/dbraw/zinc/65/97/84/603659784.db2.gz VJDMGJKWIAGUIS-UHFFFAOYSA-N -2 3 382.214 2.067 20 0 GEADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3[C@H](C)OC(C)(C)N3C(=O)[O-])cc2)n1 ZINC000829893295 603695180 /nfs/dbraw/zinc/69/51/80/603695180.db2.gz FLOKLJQVNAKULP-XHDPSFHLSA-N -2 3 386.408 2.187 20 0 GEADHL CC(C)(NC(=O)[O-])C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000824020433 603908575 /nfs/dbraw/zinc/90/85/75/603908575.db2.gz NJCNMJXCOUUEHT-UHFFFAOYSA-N -2 3 383.832 2.269 20 0 GEADHL Cc1ccc(C(=O)NCCC(=O)Nc2cccc3c2CCN3C(=O)[O-])c([O-])c1 ZINC000830217169 604021400 /nfs/dbraw/zinc/02/14/00/604021400.db2.gz RALCKVDUSXHWJK-UHFFFAOYSA-N -2 3 383.404 2.500 20 0 GEADHL CCOC(=O)Nc1ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc1-c1nnn[n-]1 ZINC000825530713 607679291 /nfs/dbraw/zinc/67/92/91/607679291.db2.gz DLTCCWFXDJOIPE-UHFFFAOYSA-N -2 3 390.400 2.265 20 0 GEADHL CCOC(=O)Nc1ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc1-c1nn[n-]n1 ZINC000825530713 607679292 /nfs/dbraw/zinc/67/92/92/607679292.db2.gz DLTCCWFXDJOIPE-UHFFFAOYSA-N -2 3 390.400 2.265 20 0 GEADHL O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000832476718 604279295 /nfs/dbraw/zinc/27/92/95/604279295.db2.gz YCBXYLFBPKXLHJ-JQWIXIFHSA-N -2 3 386.246 2.390 20 0 GEADHL C[C@@H](NC(=O)[O-])c1ccc(CNC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000825389740 604308752 /nfs/dbraw/zinc/30/87/52/604308752.db2.gz VVNNPLIJZGFBRN-SNVBAGLBSA-N -2 3 382.376 2.221 20 0 GEADHL CCCCCCn1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c(=O)[nH]c1=O ZINC000772569095 604664890 /nfs/dbraw/zinc/66/48/90/604664890.db2.gz PLFANFGORPGPRO-UHFFFAOYSA-N -2 3 395.437 2.028 20 0 GEADHL O=C([O-])C[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000455879961 604669185 /nfs/dbraw/zinc/66/91/85/604669185.db2.gz SIVWCRPZTTWRLN-NSHDSACASA-N -2 3 395.412 2.034 20 0 GEADHL Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000833029927 604669253 /nfs/dbraw/zinc/66/92/53/604669253.db2.gz MJOYVZRVTLOPBL-CYBMUJFWSA-N -2 3 397.387 2.072 20 0 GEADHL CC(C)NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC000833502832 604687451 /nfs/dbraw/zinc/68/74/51/604687451.db2.gz XSVRIGRTJCWNCR-UHFFFAOYSA-N -2 3 397.840 2.372 20 0 GEADHL CN1CC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)[C@H]1c1ccccc1 ZINC000833697936 604706445 /nfs/dbraw/zinc/70/64/45/604706445.db2.gz JXEIERJXOJIWAN-CXAGYDPISA-N -2 3 396.415 2.387 20 0 GEADHL CN1CC[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)[C@@H]1c1ccccc1 ZINC000833697938 604706517 /nfs/dbraw/zinc/70/65/17/604706517.db2.gz JXEIERJXOJIWAN-GUYCJALGSA-N -2 3 396.415 2.387 20 0 GEADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](CCC(=O)[O-])c1ccccc1 ZINC000548531984 605025479 /nfs/dbraw/zinc/02/54/79/605025479.db2.gz AAXDGDPMKAWPBH-OAHLLOKOSA-N -2 3 395.408 2.497 20 0 GEADHL CC(C)(C)c1cccc(OCC[N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000833450093 605027659 /nfs/dbraw/zinc/02/76/59/605027659.db2.gz YQODYFNWUIRDKJ-UHFFFAOYSA-N -2 3 384.479 2.496 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC2(O)CCCCCC2)c(Br)o1 ZINC000316581430 605032642 /nfs/dbraw/zinc/03/26/42/605032642.db2.gz SGDMJYCKNCZODV-UHFFFAOYSA-N -2 3 396.259 2.104 20 0 GEADHL CC(C)C[C@H](CCO)C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000833475032 605042530 /nfs/dbraw/zinc/04/25/30/605042530.db2.gz GRXCNYVJZRUNGM-VIFPVBQESA-N -2 3 398.275 2.063 20 0 GEADHL Cc1cc(Br)c(S(=O)(=O)[N-]CC2(NC(=O)[O-])CCC2)s1 ZINC000833898051 605408683 /nfs/dbraw/zinc/40/86/83/605408683.db2.gz QPYBNBXNGWQUAM-UHFFFAOYSA-N -2 3 383.289 2.288 20 0 GEADHL O=C([O-])Nc1cccc(CC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000834265958 605831779 /nfs/dbraw/zinc/83/17/79/605831779.db2.gz UULCLXFXIUGHLX-UHFFFAOYSA-N -2 3 383.404 2.009 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000821669259 606178363 /nfs/dbraw/zinc/17/83/63/606178363.db2.gz CVPYBOOVWZTVOS-UHFFFAOYSA-N -2 3 393.812 2.108 20 0 GEADHL COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)c1 ZINC000821824075 606210887 /nfs/dbraw/zinc/21/08/87/606210887.db2.gz GCLCCFVSJOAOCX-UHFFFAOYSA-N -2 3 381.801 2.035 20 0 GEADHL Cc1noc(C)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822523750 606339857 /nfs/dbraw/zinc/33/98/57/606339857.db2.gz UCIFGTSVPWJULA-UHFFFAOYSA-N -2 3 388.331 2.291 20 0 GEADHL Cc1noc(C)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822523750 606339859 /nfs/dbraw/zinc/33/98/59/606339859.db2.gz UCIFGTSVPWJULA-UHFFFAOYSA-N -2 3 388.331 2.291 20 0 GEADHL CC(C)(C)c1nnc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)s1 ZINC000819971824 606468238 /nfs/dbraw/zinc/46/82/38/606468238.db2.gz SXNMEHTVVYZDIC-UHFFFAOYSA-N -2 3 399.889 2.470 20 0 GEADHL CC(C)(C)c1nnc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)s1 ZINC000819971824 606468239 /nfs/dbraw/zinc/46/82/39/606468239.db2.gz SXNMEHTVVYZDIC-UHFFFAOYSA-N -2 3 399.889 2.470 20 0 GEADHL CC(C)(C)OCc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000819950294 606590380 /nfs/dbraw/zinc/59/03/80/606590380.db2.gz HSZIVYALCVMRDD-UHFFFAOYSA-N -2 3 388.453 2.378 20 0 GEADHL CC(C)(C)OCc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000819950294 606590382 /nfs/dbraw/zinc/59/03/82/606590382.db2.gz HSZIVYALCVMRDD-UHFFFAOYSA-N -2 3 388.453 2.378 20 0 GEADHL CC(C)(C)n1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc(Cl)cc2F)n1 ZINC000819971411 606621032 /nfs/dbraw/zinc/62/10/32/606621032.db2.gz KHHCFFMMTUZNSU-UHFFFAOYSA-N -2 3 399.839 2.412 20 0 GEADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1nnc(-c2ccco2)s1 ZINC000822153797 606636644 /nfs/dbraw/zinc/63/66/44/606636644.db2.gz PJRWXUPBLKLKSK-UHFFFAOYSA-N -2 3 389.422 2.087 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1nnc(-c2ccco2)s1 ZINC000822153797 606636645 /nfs/dbraw/zinc/63/66/45/606636645.db2.gz PJRWXUPBLKLKSK-UHFFFAOYSA-N -2 3 389.422 2.087 20 0 GEADHL CC(C)(C)n1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc3ncccc3c2)n1 ZINC000819971040 606706804 /nfs/dbraw/zinc/70/68/04/606706804.db2.gz BVIIIZBRROSUNL-UHFFFAOYSA-N -2 3 398.452 2.167 20 0 GEADHL CCc1cccc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nnn[n-]2)c1 ZINC000821492505 606707406 /nfs/dbraw/zinc/70/74/06/606707406.db2.gz ORRNNIGMRVVOSV-UHFFFAOYSA-N -2 3 375.458 2.181 20 0 GEADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000821589212 606751147 /nfs/dbraw/zinc/75/11/47/606751147.db2.gz CQISOUFZGJVLDZ-UHFFFAOYSA-N -2 3 384.465 2.222 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc2sccc2c1 ZINC000823285520 606760692 /nfs/dbraw/zinc/76/06/92/606760692.db2.gz VCAUKRRRJQRNPC-UHFFFAOYSA-N -2 3 399.457 2.341 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc2sccc2c1 ZINC000823285520 606760694 /nfs/dbraw/zinc/76/06/94/606760694.db2.gz VCAUKRRRJQRNPC-UHFFFAOYSA-N -2 3 399.457 2.341 20 0 GEADHL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)c1 ZINC000819835402 606787944 /nfs/dbraw/zinc/78/79/44/606787944.db2.gz XJMQOYMMFXAFMN-UHFFFAOYSA-N -2 3 393.812 2.229 20 0 GEADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000821765838 606820814 /nfs/dbraw/zinc/82/08/14/606820814.db2.gz LZOQXVMILKIPLB-UHFFFAOYSA-N -2 3 381.364 2.263 20 0 GEADHL CC(C)CC1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000820061492 606838710 /nfs/dbraw/zinc/83/87/10/606838710.db2.gz DCQVGIKYCPESQI-UHFFFAOYSA-N -2 3 377.470 2.029 20 0 GEADHL CC(C)CC1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000820061492 606838712 /nfs/dbraw/zinc/83/87/12/606838712.db2.gz DCQVGIKYCPESQI-UHFFFAOYSA-N -2 3 377.470 2.029 20 0 GEADHL O=S(=O)([N-]c1ccc2c(c1)CCCO2)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823589227 606867252 /nfs/dbraw/zinc/86/72/52/606867252.db2.gz UJMUMNRQHFOZQN-UHFFFAOYSA-N -2 3 393.375 2.271 20 0 GEADHL O=S(=O)([N-]c1ccc2c(c1)CCCO2)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823589227 606867254 /nfs/dbraw/zinc/86/72/54/606867254.db2.gz UJMUMNRQHFOZQN-UHFFFAOYSA-N -2 3 393.375 2.271 20 0 GEADHL O=S(=O)([N-][C@@H]1CCCc2occc21)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572800 606885435 /nfs/dbraw/zinc/88/54/35/606885435.db2.gz NBZKOWXHICXDSU-GFCCVEGCSA-N -2 3 381.364 2.094 20 0 GEADHL CC(C)(C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000819983967 606885658 /nfs/dbraw/zinc/88/56/58/606885658.db2.gz KWZCRIHYJWMSJA-UHFFFAOYSA-N -2 3 393.419 2.401 20 0 GEADHL C[C@@H](Cc1cccs1)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820300559 606885962 /nfs/dbraw/zinc/88/59/62/606885962.db2.gz QPDIBPKHRLEQCM-QMMMGPOBSA-N -2 3 385.421 2.116 20 0 GEADHL C[C@@H](C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1 ZINC000820276162 606887389 /nfs/dbraw/zinc/88/73/89/606887389.db2.gz SZMHJLFXWXRJOS-VIFPVBQESA-N -2 3 397.382 2.366 20 0 GEADHL CC(C)(C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1cccs1 ZINC000819984163 606891424 /nfs/dbraw/zinc/89/14/24/606891424.db2.gz PLRSTBKRJVJGIP-UHFFFAOYSA-N -2 3 399.448 2.463 20 0 GEADHL CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821453424 606894207 /nfs/dbraw/zinc/89/42/07/606894207.db2.gz AEQTYJJLECPPQM-NEPJUHHUSA-N -2 3 389.453 2.097 20 0 GEADHL O=S(=O)([N-]c1ncc(-c2nnn[n-]2)s1)c1ccc(F)cc1C(F)(F)F ZINC000823589032 607027431 /nfs/dbraw/zinc/02/74/31/607027431.db2.gz JANPVKMMDAPMFS-UHFFFAOYSA-N -2 3 394.335 2.282 20 0 GEADHL COc1ccc(O)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000821837704 607035154 /nfs/dbraw/zinc/03/51/54/607035154.db2.gz GCYYQMLKQUXQTR-UHFFFAOYSA-N -2 3 381.801 2.035 20 0 GEADHL COc1ccc(O)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000821837704 607035155 /nfs/dbraw/zinc/03/51/55/607035155.db2.gz GCYYQMLKQUXQTR-UHFFFAOYSA-N -2 3 381.801 2.035 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1ccc(Cl)cc1C ZINC000822202372 607090400 /nfs/dbraw/zinc/09/04/00/607090400.db2.gz XCPMFFWLDRWCQL-UHFFFAOYSA-N -2 3 391.840 2.256 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1ccc(Cl)cc1C ZINC000822202372 607090402 /nfs/dbraw/zinc/09/04/02/607090402.db2.gz XCPMFFWLDRWCQL-UHFFFAOYSA-N -2 3 391.840 2.256 20 0 GEADHL C[C@@H](C(=O)[O-])[C@@H](NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000820541248 607108300 /nfs/dbraw/zinc/10/83/00/607108300.db2.gz CRBLWBYYNNFPRO-IIYDPXPESA-N -2 3 395.419 2.212 20 0 GEADHL C[C@@H](C(=O)[O-])[C@@H](NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000820541248 607108302 /nfs/dbraw/zinc/10/83/02/607108302.db2.gz CRBLWBYYNNFPRO-IIYDPXPESA-N -2 3 395.419 2.212 20 0 GEADHL COC(=O)c1csc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000821671096 607155644 /nfs/dbraw/zinc/15/56/44/607155644.db2.gz HYPHPOHGOKZKCG-UHFFFAOYSA-N -2 3 399.841 2.169 20 0 GEADHL COC(=O)c1csc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000821671096 607155647 /nfs/dbraw/zinc/15/56/47/607155647.db2.gz HYPHPOHGOKZKCG-UHFFFAOYSA-N -2 3 399.841 2.169 20 0 GEADHL CC1(C)CCC[C@@H](CC(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824802018 607922140 /nfs/dbraw/zinc/92/21/40/607922140.db2.gz JVDDKASQBDVRCW-LBPRGKRZSA-N -2 3 377.470 2.278 20 0 GEADHL CC1(C)CCC[C@@H](CC(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824802018 607922141 /nfs/dbraw/zinc/92/21/41/607922141.db2.gz JVDDKASQBDVRCW-LBPRGKRZSA-N -2 3 377.470 2.278 20 0 GEADHL Cc1scc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1C ZINC000826350305 608332095 /nfs/dbraw/zinc/33/20/95/608332095.db2.gz PWPGQILYRQYMPN-UHFFFAOYSA-N -2 3 397.869 2.317 20 0 GEADHL Cc1scc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1C ZINC000826350305 608332096 /nfs/dbraw/zinc/33/20/96/608332096.db2.gz PWPGQILYRQYMPN-UHFFFAOYSA-N -2 3 397.869 2.317 20 0 GEADHL O=S(=O)([N-]c1nc2ccccc2[nH]1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826492751 608491175 /nfs/dbraw/zinc/49/11/75/608491175.db2.gz BCCIZJDHEHXKJM-UHFFFAOYSA-N -2 3 375.801 2.197 20 0 GEADHL O=S(=O)([N-]c1nc2ccccc2[nH]1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826492751 608491176 /nfs/dbraw/zinc/49/11/76/608491176.db2.gz BCCIZJDHEHXKJM-UHFFFAOYSA-N -2 3 375.801 2.197 20 0 GEADHL CC[C@H](C)n1nc([N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)cc1C ZINC000825082645 608581896 /nfs/dbraw/zinc/58/18/96/608581896.db2.gz UJJKFUOSQFBBMN-NSHDSACASA-N -2 3 375.458 2.452 20 0 GEADHL CC[C@H](C)n1nc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cc1C ZINC000825082645 608581898 /nfs/dbraw/zinc/58/18/98/608581898.db2.gz UJJKFUOSQFBBMN-NSHDSACASA-N -2 3 375.458 2.452 20 0 GEADHL Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000826333149 609274107 /nfs/dbraw/zinc/27/41/07/609274107.db2.gz WDLSTVAWOWUPHP-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826333149 609274108 /nfs/dbraw/zinc/27/41/08/609274108.db2.gz WDLSTVAWOWUPHP-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL CO[C@H]1Cc2ccc([N-]S(=O)(=O)c3cccc(C)c3-c3nn[n-]n3)cc2C1 ZINC000826147198 609469576 /nfs/dbraw/zinc/46/95/76/609469576.db2.gz PTKWYBQSBXTEIF-HNNXBMFYSA-N -2 3 385.449 2.090 20 0 GEADHL CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000824004924 609522845 /nfs/dbraw/zinc/52/28/45/609522845.db2.gz GRGGUCOBQPTLSG-UHFFFAOYSA-N -2 3 392.828 2.279 20 0 GEADHL CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000824004924 609522847 /nfs/dbraw/zinc/52/28/47/609522847.db2.gz GRGGUCOBQPTLSG-UHFFFAOYSA-N -2 3 392.828 2.279 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cnn1CC(C)C ZINC000826243173 609530583 /nfs/dbraw/zinc/53/05/83/609530583.db2.gz XOQIGVIXUXCYKA-UHFFFAOYSA-N -2 3 395.876 2.482 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cnn1CC(C)C ZINC000826243173 609530585 /nfs/dbraw/zinc/53/05/85/609530585.db2.gz XOQIGVIXUXCYKA-UHFFFAOYSA-N -2 3 395.876 2.482 20 0 GEADHL COc1cc(O)cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000826181015 609530759 /nfs/dbraw/zinc/53/07/59/609530759.db2.gz IDVUJCNHPHHLNT-UHFFFAOYSA-N -2 3 381.801 2.035 20 0 GEADHL COc1cc(O)cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000826181015 609530760 /nfs/dbraw/zinc/53/07/60/609530760.db2.gz IDVUJCNHPHHLNT-UHFFFAOYSA-N -2 3 381.801 2.035 20 0 GEADHL CCS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])cc1 ZINC000451113238 650087922 /nfs/dbraw/zinc/08/79/22/650087922.db2.gz INIADAOCNKXRGP-UHFFFAOYSA-N -2 3 385.463 2.136 20 0 GEADHL O=S(=O)([N-]c1cc([O-])c(Br)cc1Br)c1cn[nH]c1 ZINC000507962740 650470652 /nfs/dbraw/zinc/47/06/52/650470652.db2.gz DXUCLUBESBFCNB-UHFFFAOYSA-N -2 3 397.048 2.441 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2nccs2)cc1F ZINC000476237948 650546991 /nfs/dbraw/zinc/54/69/91/650546991.db2.gz XICKPUMVEURXBC-UHFFFAOYSA-N -2 3 379.460 2.235 20 0 GEADHL CC[C@@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)c1nccs1 ZINC000524123068 650638645 /nfs/dbraw/zinc/63/86/45/650638645.db2.gz KGZWLUIEEFKFFH-LLVKDONJSA-N -2 3 393.487 2.083 20 0 GEADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-][N-]C(=O)C1CCCC1 ZINC000029048628 642457273 /nfs/dbraw/zinc/45/72/73/642457273.db2.gz XJJYZSUHHOFQGV-UHFFFAOYSA-N -2 3 391.287 2.348 20 0 GEADHL COc1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1[N-]S(C)(=O)=O ZINC000044259381 642572744 /nfs/dbraw/zinc/57/27/44/642572744.db2.gz CBKBWUYEPJYYPR-UHFFFAOYSA-N -2 3 392.405 2.146 20 0 GEADHL O=S(=O)([N-]c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cn[nH]c1 ZINC000048231904 642647757 /nfs/dbraw/zinc/64/77/57/642647757.db2.gz KMJAECXGSHVIRI-UHFFFAOYSA-N -2 3 378.435 2.011 20 0 GEADHL O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c1 ZINC000054795512 642759429 /nfs/dbraw/zinc/75/94/29/642759429.db2.gz FQGBBSKDENEOJW-UHFFFAOYSA-N -3 3 375.280 2.301 20 0 GEADHL CC(C)C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000060051337 642832674 /nfs/dbraw/zinc/83/26/74/642832674.db2.gz GSJXSNBPVRYXFD-VIFPVBQESA-N -2 3 384.332 2.391 20 0 GEADHL O=C([N-][N-]S(=O)(=O)c1cc(Br)ccc1Cl)c1ccccn1 ZINC000067890570 642979419 /nfs/dbraw/zinc/97/94/19/642979419.db2.gz IMEOTEYHDZVLHF-UHFFFAOYSA-N -2 3 390.646 2.121 20 0 GEADHL O=S(=O)([N-]N=c1c(F)c(F)[n-]c(F)c1F)c1c(Cl)nc2ccccn21 ZINC000105386699 643204645 /nfs/dbraw/zinc/20/46/45/643204645.db2.gz RIHCQJJJPSEVSE-UHFFFAOYSA-N -2 3 395.725 2.245 20 0 GEADHL Cn1cnc(S(=O)(=O)[N-]Cc2ccc([O-])c(Br)c2)c1Cl ZINC000127275277 643767623 /nfs/dbraw/zinc/76/76/23/643767623.db2.gz IXKJCBVEFPVKSE-UHFFFAOYSA-N -2 3 380.651 2.020 20 0 GEADHL COc1cc(Br)cc(S(=O)(=O)[N-][N-]C(=O)CCC(C)C)c1 ZINC000185578520 645050348 /nfs/dbraw/zinc/05/03/48/645050348.db2.gz KUFVGLKUNDZTHA-UHFFFAOYSA-N -2 3 379.276 2.203 20 0 GEADHL COc1cc(S(=O)(=O)[N-][N-]C(=O)c2ccc(Cl)cc2F)ccc1F ZINC000190790604 645165593 /nfs/dbraw/zinc/16/55/93/645165593.db2.gz PTEDHHSBFMXKTR-UHFFFAOYSA-N -2 3 376.768 2.250 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000262236768 645621441 /nfs/dbraw/zinc/62/14/41/645621441.db2.gz VXDGOBGYMWEBTK-BDAKNGLRSA-N -2 3 380.344 2.126 20 0 GEADHL Cc1cnn(C[C@H]([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)C(=O)[O-])c1 ZINC000547556507 651031957 /nfs/dbraw/zinc/03/19/57/651031957.db2.gz VJSCYGUZRSCPQS-NSHDSACASA-N -2 3 392.264 2.238 20 0 GEADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C[C@@H]2CCOC2)C(=O)[O-])c1Cl ZINC000547877365 651049810 /nfs/dbraw/zinc/04/98/10/651049810.db2.gz XIVGEEDBVNLMLA-GXSJLCMTSA-N -2 3 382.265 2.460 20 0 GEADHL Cc1cc(C)n(C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C(=O)[O-])n1 ZINC000547878806 651050131 /nfs/dbraw/zinc/05/01/31/651050131.db2.gz CZUDLHVIUCGGFJ-LLVKDONJSA-N -2 3 392.264 2.238 20 0 GEADHL CCC[C@@H](C)CS(=O)(=O)[N-]c1cc(S(=O)(=O)CC)ccc1C(=O)[O-] ZINC000547903730 651053842 /nfs/dbraw/zinc/05/38/42/651053842.db2.gz IKWGEQKCRHPGBN-LLVKDONJSA-N -2 3 377.484 2.356 20 0 GEADHL O=C([O-])[C@H](Cc1ccco1)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000547935869 651056731 /nfs/dbraw/zinc/05/67/31/651056731.db2.gz CEMIVCXEZFDBDI-ZDUSSCGKSA-N -2 3 378.431 2.377 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@H](C(=O)[O-])C(C)C)cc1Cl ZINC000274965435 646337630 /nfs/dbraw/zinc/33/76/30/646337630.db2.gz IEKAABNXGMGVRF-VIFPVBQESA-N -2 3 380.825 2.073 20 0 GEADHL O=C([O-])[C@H]1C=C[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000274993629 646340486 /nfs/dbraw/zinc/34/04/86/646340486.db2.gz KYWUMCCFEWAUMA-IONNQARKSA-N -2 3 380.647 2.410 20 0 GEADHL CCOC(C)(C)C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000275474840 646355088 /nfs/dbraw/zinc/35/50/88/646355088.db2.gz MEHCNPYYNLZVIK-UHFFFAOYSA-N -2 3 386.289 2.302 20 0 GEADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C(C)C ZINC000548265479 651074460 /nfs/dbraw/zinc/07/44/60/651074460.db2.gz CAOJCELPCREJLI-LLVKDONJSA-N -2 3 385.463 2.323 20 0 GEADHL O=C([O-])[C@@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000548548373 651079873 /nfs/dbraw/zinc/07/98/73/651079873.db2.gz DPILBNRUQVFRJS-CYBMUJFWSA-N -2 3 377.315 2.217 20 0 GEADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CC[C@H](C)CC(=O)[O-] ZINC000548592949 651081328 /nfs/dbraw/zinc/08/13/28/651081328.db2.gz GKVCHDPULAJNCM-JTQLQIEISA-N -2 3 385.463 2.467 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)CCC[C@H](C)C(=O)[O-])c(F)c1 ZINC000554783498 651213210 /nfs/dbraw/zinc/21/32/10/651213210.db2.gz KZWMGTFOBBLVDV-WDEREUQCSA-N -2 3 375.418 2.170 20 0 GEADHL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000643434138 651487157 /nfs/dbraw/zinc/48/71/57/651487157.db2.gz JGTGDLFLNZNNPA-UWVGGRQHSA-N -2 3 393.237 2.473 20 0 GEADHL CS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000726519850 651496095 /nfs/dbraw/zinc/49/60/95/651496095.db2.gz OXHWAJPFUUXQSQ-UHFFFAOYSA-N -2 3 377.447 2.407 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccsc2)c(F)c1 ZINC000567601029 651628819 /nfs/dbraw/zinc/62/88/19/651628819.db2.gz APSSXSRVSKZBCM-GFCCVEGCSA-N -2 3 387.410 2.168 20 0 GEADHL CSc1cc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)ccn1 ZINC000611231330 651714760 /nfs/dbraw/zinc/71/47/60/651714760.db2.gz QZRZMXVBHNQCAU-UHFFFAOYSA-N -2 3 391.471 2.115 20 0 GEADHL CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2ccc(CC(=O)[O-])c(F)c2)s1 ZINC000581069916 652400427 /nfs/dbraw/zinc/40/04/27/652400427.db2.gz WNJDKMMLKGPIOY-UHFFFAOYSA-N -2 3 387.458 2.080 20 0 GEADHL C[C@H]1CCCc2nc(S(=O)(=O)[N-]C[C@H](CCC(=O)[O-])C(F)(F)F)cn21 ZINC000663293930 652490213 /nfs/dbraw/zinc/49/02/13/652490213.db2.gz MULJHSBBGXIEJB-UWVGGRQHSA-N -2 3 383.392 2.102 20 0 GEADHL C/C=C\C[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000584758866 652527936 /nfs/dbraw/zinc/52/79/36/652527936.db2.gz ARUOPLDJEFWQGR-ZZKXABKFSA-N -2 3 379.210 2.440 20 0 GEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cccc(Br)c2C)c[n-]1 ZINC000585730933 652535411 /nfs/dbraw/zinc/53/54/11/652535411.db2.gz QUYYXUWYGXDXMT-UHFFFAOYSA-N -2 3 388.243 2.458 20 0 GEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c[n-]1 ZINC000585730960 652535429 /nfs/dbraw/zinc/53/54/29/652535429.db2.gz SEYQOZNFLJYZHH-UHFFFAOYSA-N -2 3 379.316 2.286 20 0 GEADHL O=C([O-])[C@@H](Cc1ccc(O)cc1)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000776439465 653349062 /nfs/dbraw/zinc/34/90/62/653349062.db2.gz DJFPKAAGIPGPLA-SNVBAGLBSA-N -2 3 391.232 2.068 20 0 GEADHL CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC)C(=O)[O-] ZINC000776583831 653361456 /nfs/dbraw/zinc/36/14/56/653361456.db2.gz MPZVHMKPEYWPGF-ZJUUUORDSA-N -2 3 392.861 2.079 20 0 GEADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)C(=O)[O-] ZINC000837287279 653418577 /nfs/dbraw/zinc/41/85/77/653418577.db2.gz XTNWQXAMGOIZEB-RCOVLWMOSA-N -2 3 385.667 2.275 20 0 GEADHL COC(=O)[C@H](CC1CC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000840900109 653700193 /nfs/dbraw/zinc/70/01/93/653700193.db2.gz VUJMULYHLXWBNW-JTQLQIEISA-N -2 3 396.248 2.312 20 0 GEADHL CCCC(C)(C)CC(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000786471743 653722971 /nfs/dbraw/zinc/72/29/71/653722971.db2.gz NYTROMLWZYNPPV-UHFFFAOYSA-N -2 3 394.490 2.219 20 0 GEADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000864443528 653736752 /nfs/dbraw/zinc/73/67/52/653736752.db2.gz ZGVCAFASXQOKOI-WCBMZHEXSA-N -2 3 396.234 2.128 20 0 GEADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](C)[C@@H](C(=O)[O-])C(C)C)c1 ZINC000819088985 653742855 /nfs/dbraw/zinc/74/28/55/653742855.db2.gz GVYXOKJOMHQIFH-HZMBPMFUSA-N -2 3 375.418 2.026 20 0 GEADHL CC(C)(C)OC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000787932962 653746439 /nfs/dbraw/zinc/74/64/39/653746439.db2.gz UQTXKDWQPLEUMB-SNVBAGLBSA-N -2 3 398.264 2.457 20 0 GEADHL COC(=O)c1sc(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-])c(C)c1Cl ZINC000788438147 653756177 /nfs/dbraw/zinc/75/61/77/653756177.db2.gz IWPOOIWWMMGVDN-MRVPVSSYSA-N -2 3 383.875 2.274 20 0 GEADHL COC(=O)c1sc(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)(C)C)c(C)c1Cl ZINC000788441402 653756386 /nfs/dbraw/zinc/75/63/86/653756386.db2.gz RWGSMHJKZRUMKP-SECBINFHSA-N -2 3 383.875 2.274 20 0 GEADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](O)c2ccccc2)sc1Cl ZINC000788697378 653763670 /nfs/dbraw/zinc/76/36/70/653763670.db2.gz SNFFDPKVVKFWLY-RYUDHWBXSA-N -2 3 375.855 2.175 20 0 GEADHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](O)c2ccccc2)sc1Cl ZINC000788697379 653763737 /nfs/dbraw/zinc/76/37/37/653763737.db2.gz SNFFDPKVVKFWLY-VXGBXAGGSA-N -2 3 375.855 2.175 20 0 GEADHL CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CCO1 ZINC000844900015 653828304 /nfs/dbraw/zinc/82/83/04/653828304.db2.gz YYXKYIDFXOXDRJ-RKDXNWHRSA-N -2 3 396.259 2.222 20 0 GEADHL CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000824280295 653890403 /nfs/dbraw/zinc/89/04/03/653890403.db2.gz IXTUGKKYZPYDSH-UHFFFAOYSA-N -2 3 381.849 2.173 20 0 GEADHL CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000824280295 653890407 /nfs/dbraw/zinc/89/04/07/653890407.db2.gz IXTUGKKYZPYDSH-UHFFFAOYSA-N -2 3 381.849 2.173 20 0 GEADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@@H](CC1CC1)C(=O)[O-] ZINC000794767800 653920160 /nfs/dbraw/zinc/92/01/60/653920160.db2.gz WNLDEYTWPAHHPL-JTQLQIEISA-N -2 3 396.234 2.128 20 0 GEADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-]C1CC(CC(=O)[O-])C1 ZINC000899933034 654038974 /nfs/dbraw/zinc/03/89/74/654038974.db2.gz GOSPVCDAMXEJMA-UHFFFAOYSA-N -2 3 396.234 2.128 20 0 GEADHL COc1cc(C)[n-]c(=N[N-]S(=O)(=O)c2cccc(Br)c2F)n1 ZINC000799123448 654085136 /nfs/dbraw/zinc/08/51/36/654085136.db2.gz VYTUIDICDQERAJ-UHFFFAOYSA-N -2 3 391.222 2.001 20 0 GEADHL O=C([O-])C1([N-]C(=O)C(F)(F)c2ccc(Br)cc2)CCOCC1 ZINC000851607515 654165689 /nfs/dbraw/zinc/16/56/89/654165689.db2.gz NIJIUCAPXMSXEB-UHFFFAOYSA-N -2 3 378.169 2.291 20 0 GEADHL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1CC[C@H]1CC1(Cl)Cl ZINC000852737406 654258023 /nfs/dbraw/zinc/25/80/23/654258023.db2.gz SHNOHZHUHJJVST-YIZRAAEISA-N -2 3 377.190 2.166 20 0 GEADHL CC[C@@H]([N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br)[C@@H]1CCCO1 ZINC000871927053 654281621 /nfs/dbraw/zinc/28/16/21/654281621.db2.gz ORRBMIQGYBWDJR-BDAKNGLRSA-N -2 3 398.300 2.445 20 0 GEADHL C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)O1 ZINC000871983601 654300697 /nfs/dbraw/zinc/30/06/97/654300697.db2.gz KGYTYZUZPRKXRZ-JGVFFNPUSA-N -2 3 398.300 2.445 20 0 GEADHL CC1(C)OCC[C@H]1C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000871989376 654302770 /nfs/dbraw/zinc/30/27/70/654302770.db2.gz MNOITMUXTRSCNT-ZETCQYMHSA-N -2 3 398.300 2.302 20 0 GEADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]CC[C@H]2CCCOC2)s1 ZINC000871992543 654304487 /nfs/dbraw/zinc/30/44/87/654304487.db2.gz AAGZVRSVMHEMFV-MRVPVSSYSA-N -2 3 398.300 2.304 20 0 GEADHL CC[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000835237022 654373720 /nfs/dbraw/zinc/37/37/20/654373720.db2.gz RQLHFKAFLDGJGX-LLVKDONJSA-N -2 3 394.490 2.074 20 0 GEADHL O=C([O-])[C@@H](F)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000906005278 654400214 /nfs/dbraw/zinc/40/02/14/654400214.db2.gz OUTRBOVAPCALLP-ZETCQYMHSA-N -2 3 394.140 2.169 20 0 GEADHL CSC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000906005727 654400321 /nfs/dbraw/zinc/40/03/21/654400321.db2.gz SLQQXMAFHVZEEQ-QMMMGPOBSA-N -2 3 388.692 2.197 20 0 GEADHL C[C@@]1(C(=O)[O-])C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCO1 ZINC000906010320 654401810 /nfs/dbraw/zinc/40/18/10/654401810.db2.gz NSHJGJXELSOTHG-ZANVPECISA-N -2 3 385.335 2.145 20 0 GEADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2ccc(Cn3cccn3)cc2)c1 ZINC000013240467 531557692 /nfs/dbraw/zinc/55/76/92/531557692.db2.gz BDHAPYAQBDYABT-UHFFFAOYSA-N -2 3 377.447 2.170 20 0 GEADHL CC[N-]S(=O)(=O)c1cc(F)ccc1[N-]S(=O)(=O)Cc1cccc(C)c1 ZINC000153717411 531606703 /nfs/dbraw/zinc/60/67/03/531606703.db2.gz ZEBYSAWHNCTNTD-UHFFFAOYSA-N -2 3 386.470 2.374 20 0 GEADHL C[N-]S(=O)(=O)c1cc(C(=O)[N-]c2nnc(-c3ccsc3)s2)c(C)o1 ZINC000176132756 532128011 /nfs/dbraw/zinc/12/80/11/532128011.db2.gz OSVDBAYKJYYGQE-UHFFFAOYSA-N -2 3 384.464 2.328 20 0 GEADHL O=C(NCCCNC(=O)c1ccc(Br)c([O-])c1)c1cccc([O-])c1 ZINC000133373598 532233345 /nfs/dbraw/zinc/23/33/45/532233345.db2.gz FETDUJCFFDVRLI-UHFFFAOYSA-N -2 3 393.237 2.410 20 0 GEADHL O=S(=O)([N-]c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccc(F)cc1 ZINC000150868456 532303644 /nfs/dbraw/zinc/30/36/44/532303644.db2.gz FFHVTAHEUPFJDS-UHFFFAOYSA-N -2 3 388.417 2.206 20 0 GEADHL COc1nc(NC(=O)c2cc(Br)c([O-])c(Br)c2)n[n-]1 ZINC000182972201 532319805 /nfs/dbraw/zinc/31/98/05/532319805.db2.gz XQLLLBYUMZRGFB-UHFFFAOYSA-N -2 3 392.007 2.296 20 0 GEADHL COc1nnc(NC(=O)c2cc(Br)c([O-])c(Br)c2)[n-]1 ZINC000182972201 532319808 /nfs/dbraw/zinc/31/98/08/532319808.db2.gz XQLLLBYUMZRGFB-UHFFFAOYSA-N -2 3 392.007 2.296 20 0 GEADHL COc1n[n-]c(NC(=O)c2cc(Br)c([O-])c(Br)c2)n1 ZINC000182972201 532319809 /nfs/dbraw/zinc/31/98/09/532319809.db2.gz XQLLLBYUMZRGFB-UHFFFAOYSA-N -2 3 392.007 2.296 20 0 GEADHL C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)c(Cl)c(C(=O)[O-])c2)CN1C1CC1 ZINC000185105695 532336972 /nfs/dbraw/zinc/33/69/72/532336972.db2.gz OVPINBPZEKFZQN-BDAKNGLRSA-N -2 3 376.837 2.081 20 0 GEADHL COc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1nc(C)c(C(=O)[O-])s1 ZINC000278333235 532375110 /nfs/dbraw/zinc/37/51/10/532375110.db2.gz VFFANTKGTUMKPA-UHFFFAOYSA-N -2 3 390.870 2.333 20 0 GEADHL O=C([O-])[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000516001474 532376757 /nfs/dbraw/zinc/37/67/57/532376757.db2.gz HOJSSNCQEIDVBY-RKDXNWHRSA-N -2 3 380.235 2.367 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)[C@@H]1CCOC2(CCC2)C1 ZINC000372262721 532380218 /nfs/dbraw/zinc/38/02/18/532380218.db2.gz SEPCDRDTGUNNRJ-QMTHXVAHSA-N -2 3 375.393 2.046 20 0 GEADHL O=C(c1cc(Br)c(F)cc1[O-])N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425318468 532383135 /nfs/dbraw/zinc/38/31/35/532383135.db2.gz IDANPVRBPZMYOS-UHFFFAOYSA-N -2 3 386.177 2.402 20 0 GEADHL Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1F ZINC000427290854 532420502 /nfs/dbraw/zinc/42/05/02/532420502.db2.gz CJSWFXLHZFXWGI-UHFFFAOYSA-N -2 3 387.410 2.037 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C[C@H](C)C2CC2)c(F)c1 ZINC000649686204 532423002 /nfs/dbraw/zinc/42/30/02/532423002.db2.gz RJSDBEJVBJOAMZ-NSHDSACASA-N -2 3 378.491 2.302 20 0 GEADHL O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c1 ZINC000517923172 532430835 /nfs/dbraw/zinc/43/08/35/532430835.db2.gz AHVWIWXHLQNSAU-UHFFFAOYSA-N -3 3 375.280 2.301 20 0 GEADHL Cc1ncc(S(=O)(=O)[N-][C@H]2CCCN(c3ccc(C(=O)[O-])cc3)C2)s1 ZINC000518002985 532434083 /nfs/dbraw/zinc/43/40/83/532434083.db2.gz UQQSAXVVJJTZEM-ZDUSSCGKSA-N -2 3 381.479 2.097 20 0 GEADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1F)CC1CC1 ZINC000650431607 532446622 /nfs/dbraw/zinc/44/66/22/532446622.db2.gz XEDFQFNYSQSOQI-VIFPVBQESA-N -2 3 380.235 2.367 20 0 GEADHL CO[C@H](CS(=O)(=O)[N-]c1cc(I)ccc1[O-])C(C)C ZINC000592353816 532452172 /nfs/dbraw/zinc/45/21/72/532452172.db2.gz XCJIOYKPZGWQGV-GFCCVEGCSA-N -2 3 399.250 2.410 20 0 GEADHL CO[C@H](C)CS(=O)(=O)[N-]c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000282275259 532452888 /nfs/dbraw/zinc/45/28/88/532452888.db2.gz UKTIBOAXGGAYQU-CYBMUJFWSA-N -2 3 384.479 2.264 20 0 GEADHL Cc1nc(C)c(C(=O)[N-]c2nnc([N-]S(=O)(=O)c3ccccc3)s2)o1 ZINC000467988042 532458690 /nfs/dbraw/zinc/45/86/90/532458690.db2.gz JAFPQXPWNAJCOU-UHFFFAOYSA-N -2 3 379.423 2.196 20 0 GEADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C1([C@H](C)C(=O)[O-])CC1 ZINC000593273372 532479568 /nfs/dbraw/zinc/47/95/68/532479568.db2.gz IZIZGBSAABYCRH-SECBINFHSA-N -2 3 383.447 2.220 20 0 GEADHL CC[C@H]([N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)CC)c(F)c1)C(F)(F)F ZINC000469056721 532488916 /nfs/dbraw/zinc/48/89/16/532488916.db2.gz TVURFQKRPVAONU-NSHDSACASA-N -2 3 392.396 2.207 20 0 GEADHL COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)(C)C ZINC000685208028 532491762 /nfs/dbraw/zinc/49/17/62/532491762.db2.gz QGNRKLFONJROBE-ZDUSSCGKSA-N -2 3 392.861 2.085 20 0 GEADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)C[C@H]1CCCC1(F)F)Oc1ccc(F)cc1 ZINC000562644848 532475824 /nfs/dbraw/zinc/47/58/24/532475824.db2.gz LGWSLCKNZBIVFV-ZWNOBZJWSA-N -2 3 381.372 2.013 20 0 GEADHL O=C([O-])[C@@H]1C=C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000282882927 532503976 /nfs/dbraw/zinc/50/39/76/532503976.db2.gz CUUJPRJWEVIDPZ-HTQZYQBOSA-N -2 3 380.647 2.410 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1Br ZINC000521604425 532516093 /nfs/dbraw/zinc/51/60/93/532516093.db2.gz VFBXIUMLFARPOV-UHFFFAOYSA-N -2 3 395.234 2.442 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCCO1 ZINC000630421452 532518179 /nfs/dbraw/zinc/51/81/79/532518179.db2.gz FMYWXPNGMPKNTC-ONGXEEELSA-N -2 3 387.763 2.269 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)[C@@H]1CCCO1 ZINC000630423183 532518375 /nfs/dbraw/zinc/51/83/75/532518375.db2.gz PUWKDNMXBPWZRZ-GXSJLCMTSA-N -2 3 398.662 2.013 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)[C@@H]1CCCO1 ZINC000630423011 532518388 /nfs/dbraw/zinc/51/83/88/532518388.db2.gz PHHFBLVCWCFXRC-GXSJLCMTSA-N -2 3 387.763 2.269 20 0 GEADHL Cc1nc(-c2ccc(S(=O)(=O)[N-][C@]3(CC(=O)[O-])CCOC3)s2)cs1 ZINC000564856590 532535566 /nfs/dbraw/zinc/53/55/66/532535566.db2.gz XKZCTOLLRMZRMH-AWEZNQCLSA-N -2 3 388.492 2.092 20 0 GEADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H]1CCO[C@@H]1c1ccccc1 ZINC000564917276 532537131 /nfs/dbraw/zinc/53/71/31/532537131.db2.gz OIGOHDZGJPBMQA-SMDDNHRTSA-N -2 3 383.447 2.263 20 0 GEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)c2ccccc2)c1 ZINC000594679468 532519514 /nfs/dbraw/zinc/51/95/14/532519514.db2.gz DXIYXASKFMDABW-QMTHXVAHSA-N -2 3 383.447 2.070 20 0 GEADHL CS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000525330125 532531117 /nfs/dbraw/zinc/53/11/17/532531117.db2.gz YOXJXRPAQJBFDH-UHFFFAOYSA-N -2 3 377.447 2.407 20 0 GEADHL CC(C)(C)n1ncnc1C[N-]S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000283827329 532560308 /nfs/dbraw/zinc/56/03/08/532560308.db2.gz QSWOLYVGOTUTQN-UHFFFAOYSA-N -2 3 390.824 2.002 20 0 GEADHL CO[C@H](C)c1nc(=NC(=O)NCc2ccc([O-])c(Br)c2)s[n-]1 ZINC000565920171 532584202 /nfs/dbraw/zinc/58/42/02/532584202.db2.gz PZANOPZYNNVHFS-SSDOTTSWSA-N -2 3 387.259 2.457 20 0 GEADHL CCC[C@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1OC)C(=O)[O-] ZINC000262424935 532592635 /nfs/dbraw/zinc/59/26/35/532592635.db2.gz NOULDLNEDKSTCE-VIFPVBQESA-N -2 3 384.223 2.128 20 0 GEADHL CCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCCCOC)C(=O)[O-] ZINC000262414171 532593434 /nfs/dbraw/zinc/59/34/34/532593434.db2.gz LYHVKBHGXQRHEJ-GFCCVEGCSA-N -2 3 379.862 2.287 20 0 GEADHL Cc1c(C[S@](C)=O)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000433505503 532571573 /nfs/dbraw/zinc/57/15/73/532571573.db2.gz IJKYOIAJRAFFOO-DEOSSOPVSA-N -3 3 383.447 2.078 20 0 GEADHL CO[C@@H](CS(=O)(=O)[N-]c1cccc(Br)c1C(=O)[O-])C1CC1 ZINC000530148212 532617296 /nfs/dbraw/zinc/61/72/96/532617296.db2.gz CNELWNNBYJXZDS-NSHDSACASA-N -2 3 378.244 2.314 20 0 GEADHL CC[C@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1)C(=O)[O-] ZINC000566172853 532598177 /nfs/dbraw/zinc/59/81/77/532598177.db2.gz HAYSTGQQQIPTJL-ZBEGNZNMSA-N -2 3 391.873 2.287 20 0 GEADHL COC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)C(=O)[O-] ZINC000566184582 532599378 /nfs/dbraw/zinc/59/93/78/532599378.db2.gz NJFSLSJSFJSKLX-MRXNPFEDSA-N -2 3 391.873 2.287 20 0 GEADHL CO[C@@H](C[C@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1Cl)C(=O)[O-])C1CC1 ZINC000656167158 532606222 /nfs/dbraw/zinc/60/62/22/532606222.db2.gz KUJJDBKGQUTXIX-STQMWFEESA-N -2 3 379.837 2.334 20 0 GEADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-][C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000656181118 532609039 /nfs/dbraw/zinc/60/90/39/532609039.db2.gz PAYXLUKQTSCDAQ-GWCFXTLKSA-N -2 3 381.372 2.472 20 0 GEADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-][C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000656181119 532609239 /nfs/dbraw/zinc/60/92/39/532609239.db2.gz PAYXLUKQTSCDAQ-GXFFZTMASA-N -2 3 381.372 2.472 20 0 GEADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-][C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000656180805 532609577 /nfs/dbraw/zinc/60/95/77/532609577.db2.gz MEFBVJYFFKBFFK-YPMHNXCESA-N -2 3 381.372 2.472 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](CC2CCC2)C(=O)[O-])cc1Cl ZINC000530525666 532624282 /nfs/dbraw/zinc/62/42/82/532624282.db2.gz NKPIRYGFKCDJIX-ZDUSSCGKSA-N -2 3 392.836 2.359 20 0 GEADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000436665434 532640575 /nfs/dbraw/zinc/64/05/75/532640575.db2.gz OOJFALSUALXUHM-UHFFFAOYSA-N -3 3 385.781 2.331 20 0 GEADHL O=C([O-])[C@@H]1CCCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000531995487 532643010 /nfs/dbraw/zinc/64/30/10/532643010.db2.gz ZYBSXOQHJWBROQ-ZDUSSCGKSA-N -2 3 379.210 2.370 20 0 GEADHL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](COC(C)(C)C)C(=O)[O-])c1 ZINC000285067279 532644254 /nfs/dbraw/zinc/64/42/54/532644254.db2.gz KJELVODNXOMYLY-LBPRGKRZSA-N -2 3 377.846 2.089 20 0 GEADHL CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)c(F)c1)C(=O)[O-] ZINC000567320388 532649689 /nfs/dbraw/zinc/64/96/89/532649689.db2.gz GWLSCNRACWLOJL-QMTHXVAHSA-N -2 3 375.418 2.170 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cccnc2)c(OC)c1 ZINC000534902879 532673788 /nfs/dbraw/zinc/67/37/88/532673788.db2.gz CJGBAOLDFKRNHV-UHFFFAOYSA-N -2 3 385.467 2.043 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccsc2)c(OC)c1 ZINC000534899351 532674391 /nfs/dbraw/zinc/67/43/91/532674391.db2.gz HVOOJBQZUCLFLA-UHFFFAOYSA-N -2 3 376.481 2.319 20 0 GEADHL C[C@H]1CC([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C[C@H](C)C1 ZINC000606908782 532703923 /nfs/dbraw/zinc/70/39/23/532703923.db2.gz BKVGEXIJASNGBR-GHMZBOCLSA-N -2 3 378.491 2.300 20 0 GEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCO[C@H](C)C1 ZINC000386811590 532704847 /nfs/dbraw/zinc/70/48/47/532704847.db2.gz PYMGMPWKPIMDJJ-ZJUUUORDSA-N -2 3 377.846 2.140 20 0 GEADHL Cc1cc2cccnc2c(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)(F)F)c1 ZINC000671645370 532723210 /nfs/dbraw/zinc/72/32/10/532723210.db2.gz JWYSAWDMKGPLKY-LLVKDONJSA-N -2 3 376.356 2.475 20 0 GEADHL C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1 ZINC000442779770 532734267 /nfs/dbraw/zinc/73/42/67/532734267.db2.gz DYIGBKKIGPDQJE-RYUDHWBXSA-N -2 3 378.491 2.444 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](C)[C@H](C(=O)[O-])C(C)C)cc1Cl ZINC000583747833 532766746 /nfs/dbraw/zinc/76/67/46/532766746.db2.gz GDRXKUYFGYJPFB-XLKFXECMSA-N -2 3 394.852 2.461 20 0 GEADHL CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]CCCC(C)(C)C(=O)[O-])c1 ZINC000547565776 532786937 /nfs/dbraw/zinc/78/69/37/532786937.db2.gz RETRSRBULLUTEM-UHFFFAOYSA-N -2 3 375.418 2.172 20 0 GEADHL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]CCCC(C)(C)C(=O)[O-] ZINC000547568856 532787078 /nfs/dbraw/zinc/78/70/78/532787078.db2.gz HBTWXEHUMNYJTJ-UHFFFAOYSA-N -2 3 377.846 2.296 20 0 GEADHL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)(C)C ZINC000547612353 532787559 /nfs/dbraw/zinc/78/75/59/532787559.db2.gz HGOFGVWTJBQREO-GFCCVEGCSA-N -2 3 377.846 2.294 20 0 GEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@H]1CCOC(C)(C)C1 ZINC000325403941 532788994 /nfs/dbraw/zinc/78/89/94/532788994.db2.gz ZNOBFDOTYOTLRQ-JTQLQIEISA-N -2 3 377.846 2.283 20 0 GEADHL Cc1nc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2F)sc1C(=O)[O-] ZINC000548203108 532789116 /nfs/dbraw/zinc/78/91/16/532789116.db2.gz NWOPKRAQIBVFCK-UHFFFAOYSA-N -2 3 378.834 2.463 20 0 GEADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000548222487 532789681 /nfs/dbraw/zinc/78/96/81/532789681.db2.gz DABROKKPRUURJP-VIFPVBQESA-N -2 3 392.271 2.163 20 0 GEADHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)c(C)n1 ZINC000414453139 532827984 /nfs/dbraw/zinc/82/79/84/532827984.db2.gz CGLYFLJSUVPPCI-UHFFFAOYSA-N -2 3 387.458 2.318 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCCCO2)c(Br)cc1F ZINC000273661623 532829931 /nfs/dbraw/zinc/82/99/31/532829931.db2.gz IGEMYWGITMEYFM-QMMMGPOBSA-N -2 3 396.234 2.134 20 0 GEADHL O=C([O-])[C@H](CN1CCCCC1)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000274947618 532860068 /nfs/dbraw/zinc/86/00/68/532860068.db2.gz HNXINFCWLUGREA-NSHDSACASA-N -2 3 381.281 2.211 20 0 GEADHL COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C(C)C ZINC000274940219 532860128 /nfs/dbraw/zinc/86/01/28/532860128.db2.gz FAWMAIMDOLWNQH-CYBMUJFWSA-N -2 3 393.889 2.390 20 0 GEADHL CC(=O)NCCc1ccc(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])s1 ZINC000275183634 532867824 /nfs/dbraw/zinc/86/78/24/532867824.db2.gz DRHHKASAEWKZIR-UHFFFAOYSA-N -2 3 390.527 2.130 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-])c(Br)c1 ZINC000275354655 532873598 /nfs/dbraw/zinc/87/35/98/532873598.db2.gz WQZHPCUZPAOBMG-MRVPVSSYSA-N -2 3 390.177 2.441 20 0 GEADHL Cc1nnc(CC[N-]S(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)s1 ZINC000290699118 532887346 /nfs/dbraw/zinc/88/73/46/532887346.db2.gz SAYRVWVKXUWNCD-UHFFFAOYSA-N -2 3 396.277 2.373 20 0 GEADHL CN1CCN(c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)c(C(=O)[O-])c2)CC1 ZINC000064461862 136156764 /nfs/dbraw/zinc/15/67/64/136156764.db2.gz XSOGEPDGKLXLIY-UHFFFAOYSA-N -2 3 393.440 2.077 20 0 GEADHL CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736624593 598843220 /nfs/dbraw/zinc/84/32/20/598843220.db2.gz FEVFGCVYTZZASY-UHFFFAOYSA-N -2 3 381.364 2.344 20 0 GEADHL CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736624593 598843221 /nfs/dbraw/zinc/84/32/21/598843221.db2.gz FEVFGCVYTZZASY-UHFFFAOYSA-N -2 3 381.364 2.344 20 0 GEADHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c(C(=O)[O-])c1 ZINC000737249187 598843853 /nfs/dbraw/zinc/84/38/53/598843853.db2.gz SQEIXEMASIHDMF-UHFFFAOYSA-N -3 3 391.384 2.122 20 0 GEADHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c(C(=O)[O-])c1 ZINC000737249187 598843854 /nfs/dbraw/zinc/84/38/54/598843854.db2.gz SQEIXEMASIHDMF-UHFFFAOYSA-N -3 3 391.384 2.122 20 0 GEADHL O=S(=O)([N-]c1ccc(Oc2ccccn2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738342204 598867464 /nfs/dbraw/zinc/86/74/64/598867464.db2.gz OOPVWEXCZIHNQJ-UHFFFAOYSA-N -2 3 395.404 2.250 20 0 GEADHL O=S(=O)([N-]c1ccc(Oc2ccccn2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738342204 598867466 /nfs/dbraw/zinc/86/74/66/598867466.db2.gz OOPVWEXCZIHNQJ-UHFFFAOYSA-N -2 3 395.404 2.250 20 0 GEADHL CC(C)[C@@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735712125 598909341 /nfs/dbraw/zinc/90/93/41/598909341.db2.gz ROLJEIUDHQPBKA-QGZVFWFLSA-N -2 3 399.476 2.187 20 0 GEADHL CC(C)[C@@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735712125 598909342 /nfs/dbraw/zinc/90/93/42/598909342.db2.gz ROLJEIUDHQPBKA-QGZVFWFLSA-N -2 3 399.476 2.187 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cnn(-c2ccccc2)c1 ZINC000737301911 598931755 /nfs/dbraw/zinc/93/17/55/598931755.db2.gz VYPJPFLMYOXTLZ-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1cc(CC(C)(C)C)nn1C ZINC000737300568 598968436 /nfs/dbraw/zinc/96/84/36/598968436.db2.gz BKWZYPKRIYVUOT-UHFFFAOYSA-N -2 3 389.485 2.298 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cc(CC(C)(C)C)nn1C ZINC000737300568 598968437 /nfs/dbraw/zinc/96/84/37/598968437.db2.gz BKWZYPKRIYVUOT-UHFFFAOYSA-N -2 3 389.485 2.298 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CCCc1cccs1 ZINC000737299514 598975074 /nfs/dbraw/zinc/97/50/74/598975074.db2.gz RCSCYVGZFJXQHK-UHFFFAOYSA-N -2 3 391.478 2.064 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CCCc1cccs1 ZINC000737299514 598975076 /nfs/dbraw/zinc/97/50/76/598975076.db2.gz RCSCYVGZFJXQHK-UHFFFAOYSA-N -2 3 391.478 2.064 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C[C@@H](C)c1ccccc1 ZINC000737300059 598977239 /nfs/dbraw/zinc/97/72/39/598977239.db2.gz VPUBVOQRNGZIFU-CYBMUJFWSA-N -2 3 385.449 2.174 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C[C@@H](C)c1ccccc1 ZINC000737300059 598977240 /nfs/dbraw/zinc/97/72/40/598977240.db2.gz VPUBVOQRNGZIFU-CYBMUJFWSA-N -2 3 385.449 2.174 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1coc2ccccc12 ZINC000737297517 598978200 /nfs/dbraw/zinc/97/82/00/598978200.db2.gz AQTVUEKIXVYCEL-UHFFFAOYSA-N -2 3 383.389 2.040 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1coc2ccccc12 ZINC000737297517 598978202 /nfs/dbraw/zinc/97/82/02/598978202.db2.gz AQTVUEKIXVYCEL-UHFFFAOYSA-N -2 3 383.389 2.040 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C[C@H]1CCc2ccccc21 ZINC000737297531 599157113 /nfs/dbraw/zinc/15/71/13/599157113.db2.gz AYPQLFBMRYQEBZ-CQSZACIVSA-N -2 3 397.460 2.100 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C[C@H]1CCc2ccccc21 ZINC000737297531 599157116 /nfs/dbraw/zinc/15/71/16/599157116.db2.gz AYPQLFBMRYQEBZ-CQSZACIVSA-N -2 3 397.460 2.100 20 0 GEADHL C[C@H](CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000735977907 599189666 /nfs/dbraw/zinc/18/96/66/599189666.db2.gz WWAGIBAQXXZWBG-LLVKDONJSA-N -2 3 389.412 2.005 20 0 GEADHL C[C@H](CC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000735977907 599189667 /nfs/dbraw/zinc/18/96/67/599189667.db2.gz WWAGIBAQXXZWBG-LLVKDONJSA-N -2 3 389.412 2.005 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1ccc(N2CCCCC2)cn1 ZINC000737301724 599193801 /nfs/dbraw/zinc/19/38/01/599193801.db2.gz RHVVUZTZKRIXLB-UHFFFAOYSA-N -2 3 399.480 2.361 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccc(N2CCCCC2)cn1 ZINC000737301724 599193804 /nfs/dbraw/zinc/19/38/04/599193804.db2.gz RHVVUZTZKRIXLB-UHFFFAOYSA-N -2 3 399.480 2.361 20 0 GEADHL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000823387660 599302946 /nfs/dbraw/zinc/30/29/46/599302946.db2.gz SRZWLVBKMFYHRT-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000823387660 599302949 /nfs/dbraw/zinc/30/29/49/599302949.db2.gz SRZWLVBKMFYHRT-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c2cccnc2c1C ZINC000822209577 599233964 /nfs/dbraw/zinc/23/39/64/599233964.db2.gz OREKNBGCZABPSO-UHFFFAOYSA-N -2 3 381.421 2.228 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c2cccnc2c1C ZINC000822209577 599233966 /nfs/dbraw/zinc/23/39/66/599233966.db2.gz OREKNBGCZABPSO-UHFFFAOYSA-N -2 3 381.421 2.228 20 0 GEADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1nc2cc(F)ccc2n1C ZINC000822153455 599234249 /nfs/dbraw/zinc/23/42/49/599234249.db2.gz LNVCHBFVIQAQIV-UHFFFAOYSA-N -2 3 387.400 2.002 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1nc2cc(F)ccc2n1C ZINC000822153455 599234251 /nfs/dbraw/zinc/23/42/51/599234251.db2.gz LNVCHBFVIQAQIV-UHFFFAOYSA-N -2 3 387.400 2.002 20 0 GEADHL C[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)C1CCCCC1 ZINC000735974815 598306771 /nfs/dbraw/zinc/30/67/71/598306771.db2.gz JNYCHSUQEGBCIS-CYBMUJFWSA-N -2 3 391.497 2.419 20 0 GEADHL C[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C1CCCCC1 ZINC000735974815 598306773 /nfs/dbraw/zinc/30/67/73/598306773.db2.gz JNYCHSUQEGBCIS-CYBMUJFWSA-N -2 3 391.497 2.419 20 0 GEADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c(C)s1 ZINC000737236973 598414836 /nfs/dbraw/zinc/41/48/36/598414836.db2.gz WZIHVCCVUJRGQX-UHFFFAOYSA-N -2 3 397.869 2.317 20 0 GEADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c(C)s1 ZINC000737236973 598414838 /nfs/dbraw/zinc/41/48/38/598414838.db2.gz WZIHVCCVUJRGQX-UHFFFAOYSA-N -2 3 397.869 2.317 20 0 GEADHL CCCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)c2C1 ZINC000736457340 598451967 /nfs/dbraw/zinc/45/19/67/598451967.db2.gz NRKUGSKAFIJCGU-UHFFFAOYSA-N -2 3 399.480 2.178 20 0 GEADHL CCCCN1Cc2cccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)c2C1 ZINC000736457340 598451969 /nfs/dbraw/zinc/45/19/69/598451969.db2.gz NRKUGSKAFIJCGU-UHFFFAOYSA-N -2 3 399.480 2.178 20 0 GEADHL CCc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000736690859 598536256 /nfs/dbraw/zinc/53/62/56/598536256.db2.gz WGODVGCVBQGTLC-ZDUSSCGKSA-N -2 3 399.476 2.179 20 0 GEADHL CCc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000736690859 598536258 /nfs/dbraw/zinc/53/62/58/598536258.db2.gz WGODVGCVBQGTLC-ZDUSSCGKSA-N -2 3 399.476 2.179 20 0 GEADHL O=C(NCc1cc(-c2nn[n-]n2)ccc1F)c1cccc(Br)c1[O-] ZINC000823241695 599491289 /nfs/dbraw/zinc/49/12/89/599491289.db2.gz CGJNIOKEYBLABJ-UHFFFAOYSA-N -2 3 392.188 2.404 20 0 GEADHL CCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821009573 599619791 /nfs/dbraw/zinc/61/97/91/599619791.db2.gz WBKARIWFXWODSK-QMMMGPOBSA-N -2 3 391.375 2.127 20 0 GEADHL CCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821009573 599619792 /nfs/dbraw/zinc/61/97/92/599619792.db2.gz WBKARIWFXWODSK-QMMMGPOBSA-N -2 3 391.375 2.127 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000823285722 599620455 /nfs/dbraw/zinc/62/04/55/599620455.db2.gz ZSQBTXUBIYQPSJ-HZPDHXFCSA-N -2 3 389.481 2.029 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000823285722 599620456 /nfs/dbraw/zinc/62/04/56/599620456.db2.gz ZSQBTXUBIYQPSJ-HZPDHXFCSA-N -2 3 389.481 2.029 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000823285475 599622031 /nfs/dbraw/zinc/62/20/31/599622031.db2.gz UFLBGSMXVVPERL-HZPDHXFCSA-N -2 3 389.481 2.029 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000823285475 599622032 /nfs/dbraw/zinc/62/20/32/599622032.db2.gz UFLBGSMXVVPERL-HZPDHXFCSA-N -2 3 389.481 2.029 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000822222604 599624609 /nfs/dbraw/zinc/62/46/09/599624609.db2.gz NLQBPLIULLJBDG-CABCVRRESA-N -2 3 389.481 2.196 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000822222604 599624610 /nfs/dbraw/zinc/62/46/10/599624610.db2.gz NLQBPLIULLJBDG-CABCVRRESA-N -2 3 389.481 2.196 20 0 GEADHL CC[C@H](C)[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C(=O)[O-] ZINC000486033294 599743878 /nfs/dbraw/zinc/74/38/78/599743878.db2.gz ZGYDDMXOCWWNFV-BONVTDFDSA-N -2 3 397.428 2.184 20 0 GEADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2C(=O)[O-])cc1C(=O)[O-] ZINC000536394337 599746820 /nfs/dbraw/zinc/74/68/20/599746820.db2.gz IGJNTZGNCYVGDQ-UHFFFAOYSA-N -3 3 395.389 2.291 20 0 GEADHL Cc1cc(C)n(-c2ccc(CC[N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)cc2)n1 ZINC000738371474 599770863 /nfs/dbraw/zinc/77/08/63/599770863.db2.gz KEODYKDOSZOKPQ-UHFFFAOYSA-N -2 3 389.433 2.301 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(F)cc2Br)o1 ZINC000740176672 599773681 /nfs/dbraw/zinc/77/36/81/599773681.db2.gz OVJWDYGYWVGKOE-UHFFFAOYSA-N -2 3 378.175 2.358 20 0 GEADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000826249738 607397698 /nfs/dbraw/zinc/39/76/98/607397698.db2.gz RTDSJLGNLLUMLU-UHFFFAOYSA-N -2 3 397.460 2.173 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000826249738 607397699 /nfs/dbraw/zinc/39/76/99/607397699.db2.gz RTDSJLGNLLUMLU-UHFFFAOYSA-N -2 3 397.460 2.173 20 0 GEADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000826249807 607399638 /nfs/dbraw/zinc/39/96/38/607399638.db2.gz VUGPGKQZFLSHMO-UHFFFAOYSA-N -2 3 395.444 2.222 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000826249807 607399640 /nfs/dbraw/zinc/39/96/40/607399640.db2.gz VUGPGKQZFLSHMO-UHFFFAOYSA-N -2 3 395.444 2.222 20 0 GEADHL CSc1ccc([C@H](CC(=O)[O-])NC(=O)CNC(=O)c2ccc([O-])cc2)cc1 ZINC000738201587 599862996 /nfs/dbraw/zinc/86/29/96/599862996.db2.gz RQTGSGSQJIXUGH-INIZCTEOSA-N -2 3 388.445 2.176 20 0 GEADHL CCNC(=O)COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1 ZINC000477394022 599905681 /nfs/dbraw/zinc/90/56/81/599905681.db2.gz QWDYHOYCFXHCSD-UHFFFAOYSA-N -2 3 392.433 2.009 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)cc1C(=O)[O-] ZINC000738064060 600100722 /nfs/dbraw/zinc/10/07/22/600100722.db2.gz PZGFPOQFBDSENH-UHFFFAOYSA-N -3 3 384.341 2.423 20 0 GEADHL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-]c2ccc(N(C)C)c(C)c2)c1 ZINC000737682527 600105496 /nfs/dbraw/zinc/10/54/96/600105496.db2.gz NVEUXVABEBVTDX-UHFFFAOYSA-N -2 3 392.433 2.347 20 0 GEADHL C[C@@H](CC(=O)Nc1ccc(C(=O)[O-])cc1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000736549071 600173482 /nfs/dbraw/zinc/17/34/82/600173482.db2.gz ROFASBGQQNZGGA-JTQLQIEISA-N -2 3 397.840 2.129 20 0 GEADHL C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)[N-]c1n[nH]c(CC(=O)[O-])n1 ZINC000736825616 600182591 /nfs/dbraw/zinc/18/25/91/600182591.db2.gz OAWDRFLYRDKPIJ-NSHDSACASA-N -2 3 381.392 2.228 20 0 GEADHL O=C([O-])CCc1nc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)no1 ZINC000739773720 600182785 /nfs/dbraw/zinc/18/27/85/600182785.db2.gz YKGOEXABPOEOEU-UHFFFAOYSA-N -2 3 398.404 2.214 20 0 GEADHL Cc1c(C[S@](C)=O)cccc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000738287132 600254827 /nfs/dbraw/zinc/25/48/27/600254827.db2.gz AOGDNMMWOUXMJC-DEOSSOPVSA-N -2 3 383.447 2.078 20 0 GEADHL CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NC(C)(C)CCC(=O)[O-])ccc1F ZINC000268888684 600417294 /nfs/dbraw/zinc/41/72/94/600417294.db2.gz HTWUPOJJGPLBLP-UHFFFAOYSA-N -2 3 388.461 2.276 20 0 GEADHL Cc1c(C(=O)[N-]c2nnc(CCCC(=O)[O-])s2)nnn1-c1ccc(C)cc1 ZINC000738500163 600536048 /nfs/dbraw/zinc/53/60/48/600536048.db2.gz QLLOMBSDEJFORD-UHFFFAOYSA-N -2 3 386.437 2.395 20 0 GEADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(F)c2)cc1 ZINC000175005727 600626103 /nfs/dbraw/zinc/62/61/03/600626103.db2.gz FUZFWDCJBDTYCN-UHFFFAOYSA-N -2 3 375.381 2.439 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)cs1 ZINC000831348361 600673794 /nfs/dbraw/zinc/67/37/94/600673794.db2.gz FSCZUTRHCJMJIT-UHFFFAOYSA-N -2 3 377.346 2.312 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3nc([C@H]4CCCO4)[nH]c3c2)c[nH]1 ZINC000299548024 600677778 /nfs/dbraw/zinc/67/77/78/600677778.db2.gz CKZPRPVQKVEMPP-CQSZACIVSA-N -2 3 376.394 2.242 20 0 GEADHL O=C([O-])C[C@H](NC(=O)CNC(=O)c1ccc([O-])cc1)c1cccc(Cl)c1 ZINC000833197652 600815639 /nfs/dbraw/zinc/81/56/39/600815639.db2.gz MBJRYZFCYFACQG-HNNXBMFYSA-N -2 3 376.796 2.108 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(F)c2)ccc1C(=O)[O-] ZINC000506677622 600889816 /nfs/dbraw/zinc/88/98/16/600889816.db2.gz VXRBHLWMRVAJAL-UHFFFAOYSA-N -2 3 376.369 2.214 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2cccc(CS(C)(=O)=O)c2)ccc1C(=O)[O-] ZINC000506617035 600891174 /nfs/dbraw/zinc/89/11/74/600891174.db2.gz NCQIZOOFYSMUST-UHFFFAOYSA-N -2 3 383.447 2.039 20 0 GEADHL COC(=O)C(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000737561145 600899475 /nfs/dbraw/zinc/89/94/75/600899475.db2.gz CUHPCQPQICGXJF-UHFFFAOYSA-N -2 3 393.417 2.342 20 0 GEADHL CN(CCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1ccccc1 ZINC000830776954 600991825 /nfs/dbraw/zinc/99/18/25/600991825.db2.gz DTWBBKMJYTXMPI-UHFFFAOYSA-N -2 3 384.404 2.468 20 0 GEADHL Cc1nc(C)c(CC(=O)OCCOc2ccc(C(=O)[O-])cc2Cl)c(=O)[n-]1 ZINC000832994638 601104991 /nfs/dbraw/zinc/10/49/91/601104991.db2.gz PGBXGPFPVOTPGM-UHFFFAOYSA-N -2 3 380.784 2.315 20 0 GEADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000776616786 601129001 /nfs/dbraw/zinc/12/90/01/601129001.db2.gz TURCILNZMBKIEZ-BDJLRTHQSA-N -2 3 395.408 2.353 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@@H](c2nccn2C)c2cccc(F)c2)cc1C(=O)[O-] ZINC000833027594 601215297 /nfs/dbraw/zinc/21/52/97/601215297.db2.gz HMYQKWNHRNJEIW-OAHLLOKOSA-N -2 3 393.396 2.227 20 0 GEADHL CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000828790012 601306325 /nfs/dbraw/zinc/30/63/25/601306325.db2.gz HMEVLXZAEKEWNU-UHFFFAOYSA-N -2 3 386.445 2.030 20 0 GEADHL COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)ccc1C ZINC000831327804 601334131 /nfs/dbraw/zinc/33/41/31/601334131.db2.gz PUKMMSLMXXYOEO-UHFFFAOYSA-N -2 3 393.417 2.436 20 0 GEADHL CCCCC[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(=O)OC ZINC000829339109 601403116 /nfs/dbraw/zinc/40/31/16/601403116.db2.gz CYIJIHMSBUIKTD-JTQLQIEISA-N -2 3 379.381 2.063 20 0 GEADHL CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000828637978 601469870 /nfs/dbraw/zinc/46/98/70/601469870.db2.gz BRDFTYQZJMVIGF-QGZVFWFLSA-N -2 3 388.461 2.276 20 0 GEADHL Cc1oc(S(=O)(=O)[N-]C(C)(C)c2cn(-c3ccccc3)nn2)cc1C(=O)[O-] ZINC000833027518 601594612 /nfs/dbraw/zinc/59/46/12/601594612.db2.gz GCFKXHXBDDQRMD-UHFFFAOYSA-N -2 3 390.421 2.081 20 0 GEADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)ccc1F ZINC000831029182 601624721 /nfs/dbraw/zinc/62/47/21/601624721.db2.gz JQAIPVJOGYWILP-UHFFFAOYSA-N -2 3 385.348 2.215 20 0 GEADHL O=C([O-])[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000462646325 601744041 /nfs/dbraw/zinc/74/40/41/601744041.db2.gz WGILBIMOFPGFGW-OAHLLOKOSA-N -2 3 395.412 2.034 20 0 GEADHL O=C([O-])[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C1CCCCC1 ZINC000833124170 601748817 /nfs/dbraw/zinc/74/88/17/601748817.db2.gz OTUKNKWWKKZDPE-INIZCTEOSA-N -2 3 398.456 2.030 20 0 GEADHL CC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C(=O)[O-] ZINC000486202405 601754383 /nfs/dbraw/zinc/75/43/83/601754383.db2.gz CKNRLNHONMDWJA-AWEZNQCLSA-N -2 3 380.397 2.220 20 0 GEADHL COC[C@@](C)([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000514789296 601805481 /nfs/dbraw/zinc/80/54/81/601805481.db2.gz KEOQIYWZOYITAC-CQSZACIVSA-N -2 3 390.870 2.232 20 0 GEADHL O=C([O-])c1ccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1F ZINC000833109914 601878790 /nfs/dbraw/zinc/87/87/90/601878790.db2.gz CWZHASHUNVYJBO-UHFFFAOYSA-N -2 3 392.817 2.156 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c(N(C)C)n1 ZINC000826291394 607534043 /nfs/dbraw/zinc/53/40/43/607534043.db2.gz DHFKTRZLKPNHBA-UHFFFAOYSA-N -2 3 393.860 2.090 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c(N(C)C)n1 ZINC000826291394 607534045 /nfs/dbraw/zinc/53/40/45/607534045.db2.gz DHFKTRZLKPNHBA-UHFFFAOYSA-N -2 3 393.860 2.090 20 0 GEADHL CCOC(=O)c1[n-]c(C)c(S(=O)(=O)Oc2cc(OC)ccc2C(=O)[O-])c1C ZINC000829869669 601934936 /nfs/dbraw/zinc/93/49/36/601934936.db2.gz KNLZFSSRNFHPPW-UHFFFAOYSA-N -2 3 397.405 2.283 20 0 GEADHL Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@@H](C(=O)[O-])C(C)(C)C ZINC000833029729 601946398 /nfs/dbraw/zinc/94/63/98/601946398.db2.gz HZRQLNALFJUBJR-AWEZNQCLSA-N -2 3 399.403 2.222 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)OC(C)(C)C)cc1C(=O)[O-] ZINC000833027138 601969252 /nfs/dbraw/zinc/96/92/52/601969252.db2.gz QEGOYIWRDBBAGE-GFCCVEGCSA-N -2 3 375.443 2.321 20 0 GEADHL O=C([O-])N1CCC(C[N-]S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000740496621 601988652 /nfs/dbraw/zinc/98/86/52/601988652.db2.gz OMIAVLIVFYIMAS-UHFFFAOYSA-N -2 3 383.289 2.179 20 0 GEADHL O=C([O-])N1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000740512418 601991556 /nfs/dbraw/zinc/99/15/56/601991556.db2.gz MRTFGQQVWHWVPO-QMMMGPOBSA-N -2 3 383.289 2.179 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(OCCF)c2)c1-c1nnn[n-]1 ZINC000826304019 607538226 /nfs/dbraw/zinc/53/82/26/607538226.db2.gz RKEJUEMWVXDQTG-UHFFFAOYSA-N -2 3 377.401 2.324 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(OCCF)c2)c1-c1nn[n-]n1 ZINC000826304019 607538228 /nfs/dbraw/zinc/53/82/28/607538228.db2.gz RKEJUEMWVXDQTG-UHFFFAOYSA-N -2 3 377.401 2.324 20 0 GEADHL O=C([O-])NC1(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])CCCCC1 ZINC000740545972 602031517 /nfs/dbraw/zinc/03/15/17/602031517.db2.gz SCJSXYGCJKPKME-OAHLLOKOSA-N -2 3 389.452 2.084 20 0 GEADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)c1cccnc1 ZINC000055313479 602153362 /nfs/dbraw/zinc/15/33/62/602153362.db2.gz FVBZPWIWBOANFD-ZETCQYMHSA-N -2 3 375.200 2.175 20 0 GEADHL CO[C@]1(C)C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)C1(C)C ZINC000761317561 602160036 /nfs/dbraw/zinc/16/00/36/602160036.db2.gz FERAZHQNDZSKPT-TVQRCGJNSA-N -2 3 396.259 2.222 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCNc2ncc(Cl)cc2Cl)o1 ZINC000833323447 602166342 /nfs/dbraw/zinc/16/63/42/602166342.db2.gz SDVWNRRZKBZPHV-UHFFFAOYSA-N -2 3 380.209 2.070 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCOc2ccc(Cl)cn2)c1F ZINC000833294009 602167759 /nfs/dbraw/zinc/16/77/59/602167759.db2.gz KZXSEBOKTNLHRK-UHFFFAOYSA-N -2 3 392.767 2.069 20 0 GEADHL O=C([O-])N1CCC[C@@H](C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)C1 ZINC000740513258 602539112 /nfs/dbraw/zinc/53/91/12/602539112.db2.gz USNUYUOQZHLECM-LBPRGKRZSA-N -2 3 381.479 2.478 20 0 GEADHL Cc1cc(N2CCC[C@H](NC(=O)c3ccc(NC(=O)[O-])cc3[O-])C2)nc(C)n1 ZINC000740081282 602863311 /nfs/dbraw/zinc/86/33/11/602863311.db2.gz WBYHNKVGBFLZKR-AWEZNQCLSA-N -2 3 385.424 2.288 20 0 GEADHL C[N-]S(=O)(=O)c1cc(-c2nc(-c3cccc(NC(=O)[O-])c3)no2)c(C)o1 ZINC000828580152 603515320 /nfs/dbraw/zinc/51/53/20/603515320.db2.gz WCQBOFNSQMJGBS-UHFFFAOYSA-N -2 3 378.366 2.303 20 0 GEADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(NC(=O)[O-])ccc2F)ccc1F ZINC000828579550 603796991 /nfs/dbraw/zinc/79/69/91/603796991.db2.gz NHNCKOIMSZEASI-UHFFFAOYSA-N -2 3 385.348 2.215 20 0 GEADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000826243663 607654392 /nfs/dbraw/zinc/65/43/92/607654392.db2.gz PTKHOSBSUKRFCE-UHFFFAOYSA-N -2 3 381.421 2.158 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000826243663 607654394 /nfs/dbraw/zinc/65/43/94/607654394.db2.gz PTKHOSBSUKRFCE-UHFFFAOYSA-N -2 3 381.421 2.158 20 0 GEADHL O=C([O-])N[C@H]1CCCCCC[C@@H]1C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000832357636 603931831 /nfs/dbraw/zinc/93/18/31/603931831.db2.gz GXQPMDPHJJVXCE-RYUDHWBXSA-N -2 3 382.438 2.154 20 0 GEADHL CCOC(=O)c1[n-]c(C)c(S(=O)(=O)Oc2ccc(C(=O)[O-])cc2C=O)c1C ZINC000829869672 604356224 /nfs/dbraw/zinc/35/62/24/604356224.db2.gz KUTIZADEURZPBQ-UHFFFAOYSA-N -2 3 395.389 2.087 20 0 GEADHL CC(C)CSCC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000397242090 604568711 /nfs/dbraw/zinc/56/87/11/604568711.db2.gz YJUMRBPTIQAHIJ-UHFFFAOYSA-N -2 3 386.289 2.408 20 0 GEADHL C[C@@H](Oc1ccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)cc1)C(=O)[O-] ZINC000833537932 604578865 /nfs/dbraw/zinc/57/88/65/604578865.db2.gz ABVNMCDLTHWTPO-OAHLLOKOSA-N -2 3 384.432 2.202 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H]2CCOC3(CCCC3)C2)c1F ZINC000833295392 604661953 /nfs/dbraw/zinc/66/19/53/604661953.db2.gz UJMJNTKPTHVRCQ-JTQLQIEISA-N -2 3 375.393 2.433 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCOC3(CCC3)C2)c(Br)o1 ZINC000833303749 604665433 /nfs/dbraw/zinc/66/54/33/604665433.db2.gz YXTWPDYHIURSMB-QMMMGPOBSA-N -2 3 394.243 2.120 20 0 GEADHL CC1(C)Cc2ccc(C(=O)Nc3ccc(CC(=O)NCC(=O)[O-])cc3)c([O-])c2O1 ZINC000833562134 604705063 /nfs/dbraw/zinc/70/50/63/604705063.db2.gz JLLYIIHBCFQZIZ-UHFFFAOYSA-N -2 3 398.415 2.101 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)Cc2cccc(C(=O)[O-])c2)cc1OC ZINC000537474893 604716499 /nfs/dbraw/zinc/71/64/99/604716499.db2.gz JTBOBKLDYWYLAT-UHFFFAOYSA-N -2 3 392.433 2.336 20 0 GEADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@H]3CN(C(=O)[O-])CCO3)c2)n1 ZINC000827556027 604718410 /nfs/dbraw/zinc/71/84/10/604718410.db2.gz CMIWOAJWKWUEKH-HNNXBMFYSA-N -2 3 386.408 2.119 20 0 GEADHL COc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])cc1NC(C)=O ZINC000833733273 604745521 /nfs/dbraw/zinc/74/55/21/604745521.db2.gz KTHCWCYZRTWOIO-UHFFFAOYSA-N -2 3 382.369 2.292 20 0 GEADHL O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)Nc3ccc(Cl)cc3[O-])cc2)[n-]1 ZINC000833775365 604796561 /nfs/dbraw/zinc/79/65/61/604796561.db2.gz FWCSUDKWZXLVGG-UHFFFAOYSA-N -3 3 387.779 2.404 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ncccc2Br)ccc1F ZINC000091272141 604796845 /nfs/dbraw/zinc/79/68/45/604796845.db2.gz NCLCIVHJUQPGHM-UHFFFAOYSA-N -2 3 375.175 2.482 20 0 GEADHL CNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)c(Cl)c1 ZINC000833699975 605008205 /nfs/dbraw/zinc/00/82/05/605008205.db2.gz FPLYCGSQUCQIDP-UHFFFAOYSA-N -2 3 398.824 2.207 20 0 GEADHL CC(C)(C)c1ccc(OCC[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000833449049 605014177 /nfs/dbraw/zinc/01/41/77/605014177.db2.gz MRXBHCUYEXCVIA-UHFFFAOYSA-N -2 3 384.479 2.496 20 0 GEADHL C[C@@H](c1ccccc1)[C@H](CO)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000833549300 605036408 /nfs/dbraw/zinc/03/64/08/605036408.db2.gz PZTRZJXTQZWZRM-GWCFXTLKSA-N -2 3 385.388 2.106 20 0 GEADHL CC(C)CC[C@](C)(O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000833481462 605038662 /nfs/dbraw/zinc/03/86/62/605038662.db2.gz VCEDAPWGFAPDRP-ZDUSSCGKSA-N -2 3 398.275 2.206 20 0 GEADHL O=C([O-])c1csc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000833784709 605039435 /nfs/dbraw/zinc/03/94/35/605039435.db2.gz JGYRUFZAPCTPRU-UHFFFAOYSA-N -2 3 375.406 2.142 20 0 GEADHL C[C@@H]1CN(C(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C[C@H]1C(=O)[O-] ZINC000833617871 605718811 /nfs/dbraw/zinc/71/88/11/605718811.db2.gz ICHKPLLZQHDDBF-ZMYBRWDISA-N -2 3 396.443 2.433 20 0 GEADHL Cc1cc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)ccc1NC(=O)[O-] ZINC000829929680 605879101 /nfs/dbraw/zinc/87/91/01/605879101.db2.gz AWMHFELAEDELFL-UHFFFAOYSA-N -2 3 383.404 2.389 20 0 GEADHL O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1ccc2[n-]c(=S)oc2c1 ZINC000823214827 606023383 /nfs/dbraw/zinc/02/33/83/606023383.db2.gz CNNKEQPMYWJGBW-UHFFFAOYSA-N -2 3 382.405 2.105 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000821669278 606179657 /nfs/dbraw/zinc/17/96/57/606179657.db2.gz DRURDYMSXKPKBK-UHFFFAOYSA-N -2 3 393.812 2.108 20 0 GEADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1cccc(Br)c1 ZINC000823582962 606337989 /nfs/dbraw/zinc/33/79/89/606337989.db2.gz FAAVMVNLHSAXAJ-UHFFFAOYSA-N -2 3 396.226 2.136 20 0 GEADHL O=S(=O)([N-]c1ccc(F)c(-c2nnn[n-]2)c1)c1cnc2ccsc2c1 ZINC000823589147 606591539 /nfs/dbraw/zinc/59/15/39/606591539.db2.gz PXMPBTJYVLKRKD-UHFFFAOYSA-N -2 3 376.398 2.416 20 0 GEADHL O=S(=O)([N-]c1ccc(F)c(-c2nn[n-]n2)c1)c1cnc2ccsc2c1 ZINC000823589147 606591541 /nfs/dbraw/zinc/59/15/41/606591541.db2.gz PXMPBTJYVLKRKD-UHFFFAOYSA-N -2 3 376.398 2.416 20 0 GEADHL CC1(C)Cc2cc(S(=O)(=O)[N-]c3cc(-c4nn[n-]n4)ccc3O)ccc2O1 ZINC000820607325 606610971 /nfs/dbraw/zinc/61/09/71/606610971.db2.gz QNHFGJFMPJRNNN-UHFFFAOYSA-N -2 3 387.421 2.087 20 0 GEADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cnn(-c2ccccc2F)c1 ZINC000822153452 606712380 /nfs/dbraw/zinc/71/23/80/606712380.db2.gz LKGPKXXKMNNBDD-UHFFFAOYSA-N -2 3 399.411 2.301 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cnn(-c2ccccc2F)c1 ZINC000822153452 606712381 /nfs/dbraw/zinc/71/23/81/606712381.db2.gz LKGPKXXKMNNBDD-UHFFFAOYSA-N -2 3 399.411 2.301 20 0 GEADHL CC(C)CC1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CCCC1 ZINC000820063482 606745725 /nfs/dbraw/zinc/74/57/25/606745725.db2.gz UTXFGXJPTXEJLV-UHFFFAOYSA-N -2 3 391.497 2.419 20 0 GEADHL CC(C)CC1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CCCC1 ZINC000820063482 606745727 /nfs/dbraw/zinc/74/57/27/606745727.db2.gz UTXFGXJPTXEJLV-UHFFFAOYSA-N -2 3 391.497 2.419 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2-c2nn[n-]n2)cc(C)c1F ZINC000822211504 606820914 /nfs/dbraw/zinc/82/09/14/606820914.db2.gz BNPRXOYIYBYHFW-UHFFFAOYSA-N -2 3 390.444 2.489 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2-c2nn[n-]n2)c(F)cc1F ZINC000822211906 606820986 /nfs/dbraw/zinc/82/09/86/606820986.db2.gz SPVVIJNJGFHPTL-UHFFFAOYSA-N -2 3 394.407 2.320 20 0 GEADHL CCC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)CCCC1 ZINC000820944744 606839455 /nfs/dbraw/zinc/83/94/55/606839455.db2.gz NWNKFZZVPUJSTL-UHFFFAOYSA-N -2 3 383.861 2.295 20 0 GEADHL CCC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)CCCC1 ZINC000820944744 606839457 /nfs/dbraw/zinc/83/94/57/606839457.db2.gz NWNKFZZVPUJSTL-UHFFFAOYSA-N -2 3 383.861 2.295 20 0 GEADHL CC(C)(C)c1ncc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cn1 ZINC000819966010 606865243 /nfs/dbraw/zinc/86/52/43/606865243.db2.gz SEHHZOQZZCKNIZ-UHFFFAOYSA-N -2 3 395.395 2.033 20 0 GEADHL CC(C)(C)c1ncc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cn1 ZINC000819966010 606865244 /nfs/dbraw/zinc/86/52/44/606865244.db2.gz SEHHZOQZZCKNIZ-UHFFFAOYSA-N -2 3 395.395 2.033 20 0 GEADHL O=S(=O)([N-]Cc1ccccc1Cl)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823578372 606883798 /nfs/dbraw/zinc/88/37/98/606883798.db2.gz MYNNSOFPXLCLOA-UHFFFAOYSA-N -2 3 385.783 2.277 20 0 GEADHL C[C@@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)o1 ZINC000820675396 606886150 /nfs/dbraw/zinc/88/61/50/606886150.db2.gz IQCKPKOXUYQYMS-KCJUWKMLSA-N -2 3 395.391 2.340 20 0 GEADHL Cc1ccccc1C[C@@H](C)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822356283 606886987 /nfs/dbraw/zinc/88/69/87/606886987.db2.gz QHCADFJGOHNCPD-LLVKDONJSA-N -2 3 393.419 2.363 20 0 GEADHL O=S(=O)([N-][C@H]1CCc2cc(F)ccc21)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572595 606889177 /nfs/dbraw/zinc/88/91/77/606889177.db2.gz JEJYMCMHYGKXNY-AWEZNQCLSA-N -2 3 395.366 2.250 20 0 GEADHL O=S(=O)([N-][C@@H]1CCc2ccc(F)cc21)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572156 606891102 /nfs/dbraw/zinc/89/11/02/606891102.db2.gz CNAXQNAKLWLQBQ-CQSZACIVSA-N -2 3 395.366 2.250 20 0 GEADHL CC(C)[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccn1 ZINC000820027816 606891697 /nfs/dbraw/zinc/89/16/97/606891697.db2.gz UKZPPSLRBIRHPU-CQSZACIVSA-N -2 3 394.407 2.216 20 0 GEADHL O=S(=O)([N-][C@@H]1CC[C@H]2CCC[C@H]2C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572781 606895111 /nfs/dbraw/zinc/89/51/11/606895111.db2.gz MCXSWSHJQWPWSG-JFGNBEQYSA-N -2 3 383.424 2.392 20 0 GEADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccn(CCC(C)C)n1 ZINC000822154010 607002624 /nfs/dbraw/zinc/00/26/24/607002624.db2.gz SKBSQYLASCOUOR-UHFFFAOYSA-N -2 3 375.458 2.219 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccn(CCC(C)C)n1 ZINC000822154010 607002626 /nfs/dbraw/zinc/00/26/26/607002626.db2.gz SKBSQYLASCOUOR-UHFFFAOYSA-N -2 3 375.458 2.219 20 0 GEADHL Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccccc3-c3nn[n-]n3)cc2)n[nH]1 ZINC000822212005 607021645 /nfs/dbraw/zinc/02/16/45/607021645.db2.gz YERYTQRQFDPTCO-UHFFFAOYSA-N -2 3 397.420 2.491 20 0 GEADHL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2Cl)o1 ZINC000821342510 607121750 /nfs/dbraw/zinc/12/17/50/607121750.db2.gz DFRTYJXDJXSGSW-UHFFFAOYSA-N -2 3 397.800 2.091 20 0 GEADHL O=C([N-]c1nnc(C(F)(F)F)s1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000823382670 607233148 /nfs/dbraw/zinc/23/31/48/607233148.db2.gz CMOGJORPUSXWPW-UHFFFAOYSA-N -2 3 376.711 2.038 20 0 GEADHL CC1(C)CCCC[C@@H]1CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000824801328 607776401 /nfs/dbraw/zinc/77/64/01/607776401.db2.gz DJHSBVUDMQXSEV-CQSZACIVSA-N -2 3 391.497 2.419 20 0 GEADHL CC1(C)CCCC[C@@H]1CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000824801328 607776402 /nfs/dbraw/zinc/77/64/02/607776402.db2.gz DJHSBVUDMQXSEV-CQSZACIVSA-N -2 3 391.497 2.419 20 0 GEADHL CC1(C)CCCC[C@@H]1CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824803739 607776484 /nfs/dbraw/zinc/77/64/84/607776484.db2.gz WNWRTPHQUSBZMQ-OAHLLOKOSA-N -2 3 391.497 2.419 20 0 GEADHL CC1(C)CCCC[C@@H]1CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824803739 607776485 /nfs/dbraw/zinc/77/64/85/607776485.db2.gz WNWRTPHQUSBZMQ-OAHLLOKOSA-N -2 3 391.497 2.419 20 0 GEADHL CC(C)[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824342233 607806082 /nfs/dbraw/zinc/80/60/82/607806082.db2.gz NSQBFMWFGPBIHS-KOMQPUFPSA-N -2 3 391.497 2.275 20 0 GEADHL CC(C)[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824342233 607806083 /nfs/dbraw/zinc/80/60/83/607806083.db2.gz NSQBFMWFGPBIHS-KOMQPUFPSA-N -2 3 391.497 2.275 20 0 GEADHL CC(C)[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000824341763 607806273 /nfs/dbraw/zinc/80/62/73/607806273.db2.gz AUZPIXOWNGRTBW-HDJSIYSDSA-N -2 3 391.497 2.275 20 0 GEADHL CC(C)[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000824341763 607806274 /nfs/dbraw/zinc/80/62/74/607806274.db2.gz AUZPIXOWNGRTBW-HDJSIYSDSA-N -2 3 391.497 2.275 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCCC(C)(C)C1 ZINC000826279010 607924370 /nfs/dbraw/zinc/92/43/70/607924370.db2.gz BRNZYQQGJPMSAJ-CYBMUJFWSA-N -2 3 377.470 2.196 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCCC(C)(C)C1 ZINC000826279010 607924371 /nfs/dbraw/zinc/92/43/71/607924371.db2.gz BRNZYQQGJPMSAJ-CYBMUJFWSA-N -2 3 377.470 2.196 20 0 GEADHL CCc1c([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)cnn1CC(C)C ZINC000825694614 607933221 /nfs/dbraw/zinc/93/32/21/607933221.db2.gz WOTVXHBBAMWKHD-UHFFFAOYSA-N -2 3 389.485 2.391 20 0 GEADHL CCc1c([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cnn1CC(C)C ZINC000825694614 607933222 /nfs/dbraw/zinc/93/32/22/607933222.db2.gz WOTVXHBBAMWKHD-UHFFFAOYSA-N -2 3 389.485 2.391 20 0 GEADHL CC[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1c(C)noc1C ZINC000825147254 607939129 /nfs/dbraw/zinc/93/91/29/607939129.db2.gz GXFKGDAYKZAGGQ-LBPRGKRZSA-N -2 3 398.395 2.179 20 0 GEADHL O=C(c1ccc2c(=O)[nH]c(=S)[n-]c2c1)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826473640 607961975 /nfs/dbraw/zinc/96/19/75/607961975.db2.gz HKPUXVWKYVRXOV-UHFFFAOYSA-N -2 3 391.416 2.007 20 0 GEADHL O=C(c1ccc2c(=O)[nH]c(=S)[n-]c2c1)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826473640 607961976 /nfs/dbraw/zinc/96/19/76/607961976.db2.gz HKPUXVWKYVRXOV-UHFFFAOYSA-N -2 3 391.416 2.007 20 0 GEADHL CC(C)Cn1ncc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1C(F)F ZINC000824284167 608016861 /nfs/dbraw/zinc/01/68/61/608016861.db2.gz CQPKAKDPJBTFMJ-UHFFFAOYSA-N -2 3 397.411 2.458 20 0 GEADHL CC(C)Cn1ncc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1C(F)F ZINC000824284167 608016862 /nfs/dbraw/zinc/01/68/62/608016862.db2.gz CQPKAKDPJBTFMJ-UHFFFAOYSA-N -2 3 397.411 2.458 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1 ZINC000826279940 608054431 /nfs/dbraw/zinc/05/44/31/608054431.db2.gz IMCLJZXNSPGSPK-UHFFFAOYSA-N -2 3 384.343 2.390 20 0 GEADHL O=S(=O)([N-]c1cccc(-c2cn[nH]c2)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826492778 608054673 /nfs/dbraw/zinc/05/46/73/608054673.db2.gz CKSGSCLRNLCRHW-UHFFFAOYSA-N -2 3 385.384 2.197 20 0 GEADHL O=S(=O)([N-]c1cccc(-c2cn[nH]c2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826492778 608054674 /nfs/dbraw/zinc/05/46/74/608054674.db2.gz CKSGSCLRNLCRHW-UHFFFAOYSA-N -2 3 385.384 2.197 20 0 GEADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(-c2ccccc2)o1 ZINC000826450577 608142156 /nfs/dbraw/zinc/14/21/56/608142156.db2.gz SAHLYIMYNSEYAM-UHFFFAOYSA-N -2 3 395.400 2.245 20 0 GEADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(-c2ccccc2)o1 ZINC000826450577 608142157 /nfs/dbraw/zinc/14/21/57/608142157.db2.gz SAHLYIMYNSEYAM-UHFFFAOYSA-N -2 3 395.400 2.245 20 0 GEADHL O=C(NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)c1ccc(F)cc1[O-] ZINC000826443717 608188810 /nfs/dbraw/zinc/18/88/10/608188810.db2.gz ADXNCXNVDLJJIR-UHFFFAOYSA-N -2 3 379.355 2.032 20 0 GEADHL COc1ccc(-c2nc(SCCSC)[n-]c(=O)c2-c2nn[n-]n2)cc1 ZINC000826182022 608291738 /nfs/dbraw/zinc/29/17/38/608291738.db2.gz XCKWSEZNOBVXKP-UHFFFAOYSA-N -2 3 376.467 2.493 20 0 GEADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]c2n[nH]cc2-c2nnn[n-]2)c1Cl ZINC000826267723 608307084 /nfs/dbraw/zinc/30/70/84/608307084.db2.gz SHBFDHJMVREIRA-UHFFFAOYSA-N -2 3 388.240 2.314 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]C(=O)C=Cc2ccccc2-c2nnn[n-]2)sc1C ZINC000826272417 608476407 /nfs/dbraw/zinc/47/64/07/608476407.db2.gz INIZUECDMDBMER-BQYQJAHWSA-N -2 3 389.462 2.063 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]C(=O)C=Cc2ccccc2-c2nn[n-]n2)sc1C ZINC000826272417 608476408 /nfs/dbraw/zinc/47/64/08/608476408.db2.gz INIZUECDMDBMER-BQYQJAHWSA-N -2 3 389.462 2.063 20 0 GEADHL COc1ccc(F)cc1[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826209021 608528587 /nfs/dbraw/zinc/52/85/87/608528587.db2.gz JQAPTKQFZFGOOS-UHFFFAOYSA-N -2 3 385.327 2.093 20 0 GEADHL COc1ccc(F)cc1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826209021 608528588 /nfs/dbraw/zinc/52/85/88/608528588.db2.gz JQAPTKQFZFGOOS-UHFFFAOYSA-N -2 3 385.327 2.093 20 0 GEADHL Cc1[nH]nc(C(F)F)c1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826233644 608871954 /nfs/dbraw/zinc/87/19/54/608871954.db2.gz PUSUDKUNHJCENS-UHFFFAOYSA-N -2 3 389.775 2.290 20 0 GEADHL C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CC(C)(C)C1 ZINC000824867982 609138850 /nfs/dbraw/zinc/13/88/50/609138850.db2.gz RVCANNSAAFFFEF-GXTWGEPZSA-N -2 3 391.497 2.275 20 0 GEADHL C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CC(C)(C)C1 ZINC000824867982 609138851 /nfs/dbraw/zinc/13/88/51/609138851.db2.gz RVCANNSAAFFFEF-GXTWGEPZSA-N -2 3 391.497 2.275 20 0 GEADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC(C)(C)C1 ZINC000824864350 609142518 /nfs/dbraw/zinc/14/25/18/609142518.db2.gz AORVSLHSKHJODI-DOMZBBRYSA-N -2 3 391.497 2.275 20 0 GEADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC(C)(C)C1 ZINC000824864350 609142519 /nfs/dbraw/zinc/14/25/19/609142519.db2.gz AORVSLHSKHJODI-DOMZBBRYSA-N -2 3 391.497 2.275 20 0 GEADHL O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)c1ccc(F)cc1[O-] ZINC000826458173 609312504 /nfs/dbraw/zinc/31/25/04/609312504.db2.gz GLTCTUXWGKNKEU-UHFFFAOYSA-N -2 3 383.318 2.289 20 0 GEADHL O=C(Nc1ccn(-c2cccc(F)c2-c2nn[n-]n2)n1)c1ccc(F)cc1[O-] ZINC000826458173 609312505 /nfs/dbraw/zinc/31/25/05/609312505.db2.gz GLTCTUXWGKNKEU-UHFFFAOYSA-N -2 3 383.318 2.289 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1cc(C2CCCC2)nn1C ZINC000826280008 609383229 /nfs/dbraw/zinc/38/32/29/609383229.db2.gz KUGAVGQHDLWYOD-UHFFFAOYSA-N -2 3 387.469 2.367 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cc(C2CCCC2)nn1C ZINC000826280008 609383230 /nfs/dbraw/zinc/38/32/30/609383230.db2.gz KUGAVGQHDLWYOD-UHFFFAOYSA-N -2 3 387.469 2.367 20 0 GEADHL CC1(C)CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000824795576 609403121 /nfs/dbraw/zinc/40/31/21/609403121.db2.gz AEIFGMQIVXQGHX-SECBINFHSA-N -2 3 383.861 2.151 20 0 GEADHL CC1(C)CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000824795576 609403123 /nfs/dbraw/zinc/40/31/23/609403123.db2.gz AEIFGMQIVXQGHX-SECBINFHSA-N -2 3 383.861 2.151 20 0 GEADHL COCCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccc(C)s1 ZINC000826162410 609469547 /nfs/dbraw/zinc/46/95/47/609469547.db2.gz ASCZTRBNWMUNBQ-UHFFFAOYSA-N -2 3 395.466 2.063 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)nn1[C@H](C)C1CC1 ZINC000826303864 609470488 /nfs/dbraw/zinc/47/04/88/609470488.db2.gz JQUMMPGYGIPFGV-GFCCVEGCSA-N -2 3 387.469 2.452 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)nn1[C@H](C)C1CC1 ZINC000826303864 609470490 /nfs/dbraw/zinc/47/04/90/609470490.db2.gz JQUMMPGYGIPFGV-GFCCVEGCSA-N -2 3 387.469 2.452 20 0 GEADHL COCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1 ZINC000523125255 650632072 /nfs/dbraw/zinc/63/20/72/650632072.db2.gz KPDHARREACDMJL-UHFFFAOYSA-N -2 3 388.442 2.015 20 0 GEADHL O=C([N-][N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ccccn1 ZINC000007386048 642338637 /nfs/dbraw/zinc/33/86/37/642338637.db2.gz CUBRIHYLISZENS-UHFFFAOYSA-N -2 3 379.747 2.377 20 0 GEADHL CC(=O)N[N-]C(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1Cl ZINC000048089290 642643992 /nfs/dbraw/zinc/64/39/92/642643992.db2.gz QIMVOULQULDWSC-UHFFFAOYSA-N -2 3 381.841 2.230 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(Cl)nc2)c(F)c1 ZINC000067244199 642966489 /nfs/dbraw/zinc/96/64/89/642966489.db2.gz NCYWOTDJIKYHCE-UHFFFAOYSA-N -2 3 379.822 2.046 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccccc2O)cc1F ZINC000536497635 650803934 /nfs/dbraw/zinc/80/39/34/650803934.db2.gz OJDCXHSIHPFPDU-UHFFFAOYSA-N -2 3 388.442 2.484 20 0 GEADHL COc1cc(C)[n-]c(=N[N-]S(=O)(=O)c2cc(F)ccc2Br)n1 ZINC000152470637 643969080 /nfs/dbraw/zinc/96/90/80/643969080.db2.gz XTRFEFFXIYVXFR-UHFFFAOYSA-N -2 3 391.222 2.001 20 0 GEADHL CC(=O)c1cc(S(=O)(=O)[N-][N-]C(=O)C(C)(C)C)ccc1Br ZINC000179973347 644481908 /nfs/dbraw/zinc/48/19/08/644481908.db2.gz HRHWZKFSHXSWRJ-UHFFFAOYSA-N -2 3 377.260 2.007 20 0 GEADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H](C(=O)[O-])C1CCC1 ZINC000547608475 651039061 /nfs/dbraw/zinc/03/90/61/651039061.db2.gz CULFCLVYIHZEDN-LBPRGKRZSA-N -2 3 383.447 2.220 20 0 GEADHL CC[C@@](C)(C[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C(=O)[O-] ZINC000274957026 646336524 /nfs/dbraw/zinc/33/65/24/646336524.db2.gz IQSJVSBDLTXUTN-AWEZNQCLSA-N -2 3 380.825 2.217 20 0 GEADHL CC[C@](C)(C[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C(=O)[O-] ZINC000274957027 646337178 /nfs/dbraw/zinc/33/71/78/646337178.db2.gz IQSJVSBDLTXUTN-CQSZACIVSA-N -2 3 380.825 2.217 20 0 GEADHL CSCC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1F)C(=O)[O-] ZINC000281928238 646803607 /nfs/dbraw/zinc/80/36/07/646803607.db2.gz QVDHWHWAHCLRQB-QMMMGPOBSA-N -2 3 386.264 2.073 20 0 GEADHL O=C([O-])[C@@H](CC(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000282044217 646812821 /nfs/dbraw/zinc/81/28/21/646812821.db2.gz SNVNHXXANDFHRE-SSDOTTSWSA-N -2 3 392.605 2.489 20 0 GEADHL COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F)c1cccs1 ZINC000326679676 647304989 /nfs/dbraw/zinc/30/49/89/647304989.db2.gz PEOIVBAWPWNWRY-NSHDSACASA-N -2 3 387.410 2.168 20 0 GEADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccccc1Br ZINC000548200023 651067502 /nfs/dbraw/zinc/06/75/02/651067502.db2.gz VWLYTOADMFSHGE-NSHDSACASA-N -2 3 389.227 2.158 20 0 GEADHL CCC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1C(=O)OC)C(=O)[O-] ZINC000548260299 651073668 /nfs/dbraw/zinc/07/36/68/651073668.db2.gz BGOSJNBGZYHORB-GXFFZTMASA-N -2 3 375.418 2.170 20 0 GEADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@](C)(CC(=O)[O-])C(=O)[O-])c1Cl ZINC000548266881 651074974 /nfs/dbraw/zinc/07/49/74/651074974.db2.gz KBXNDAGEZKUORM-ZDUSSCGKSA-N -3 3 384.237 2.146 20 0 GEADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)Oc1ccc(F)cc1 ZINC000548555462 651080139 /nfs/dbraw/zinc/08/01/39/651080139.db2.gz HDXKPTBZVSRWSG-SNVBAGLBSA-N -2 3 379.818 2.351 20 0 GEADHL O=C([O-])c1ccccc1CC[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000548595648 651081488 /nfs/dbraw/zinc/08/14/88/651081488.db2.gz UQYBEGOEQHOYPW-UHFFFAOYSA-N -2 3 385.239 2.063 20 0 GEADHL C[C@@H]([C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)[O-])C1CC1 ZINC000548990424 651090809 /nfs/dbraw/zinc/09/08/09/651090809.db2.gz MTEIBNMFKVDWCY-JMCQJSRRSA-N -2 3 380.235 2.366 20 0 GEADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000558595360 651282883 /nfs/dbraw/zinc/28/28/83/651282883.db2.gz MDGVUNSHZQABMH-UHFFFAOYSA-N -2 3 378.834 2.188 20 0 GEADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000563788575 651543425 /nfs/dbraw/zinc/54/34/25/651543425.db2.gz QHQUQOIPIVHFRN-UHFFFAOYSA-N -2 3 394.236 2.221 20 0 GEADHL CCOc1ccc([C@@H](C)[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1OC ZINC000645953010 651671031 /nfs/dbraw/zinc/67/10/31/651671031.db2.gz YBGGWIFWGUUULZ-SECBINFHSA-N -2 3 386.451 2.288 20 0 GEADHL CC(C)(C)OC(=O)CCC(C)(C)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000570448277 651768443 /nfs/dbraw/zinc/76/84/43/651768443.db2.gz SHDGBPHUVXUHKS-UHFFFAOYSA-N -2 3 378.472 2.020 20 0 GEADHL Cc1ccc([C@@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2scnc2C(=O)[O-])cc1 ZINC000571438257 651832433 /nfs/dbraw/zinc/83/24/33/651832433.db2.gz CHLMMJWWZMIJPP-JSGCOSHPSA-N -2 3 382.463 2.348 20 0 GEADHL O=C([O-])c1cc(F)c(Br)cc1[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000571976140 651864598 /nfs/dbraw/zinc/86/45/98/651864598.db2.gz FYDDRKTZGYTEAR-ZETCQYMHSA-N -2 3 382.207 2.207 20 0 GEADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)CCC[C@@H](C)C(=O)[O-] ZINC000572575355 651900947 /nfs/dbraw/zinc/90/09/47/651900947.db2.gz RUQNHIAPTIQRMD-MNOVXSKESA-N -2 3 375.418 2.170 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-][C@H](CSCCOc2ccccc2)C(=O)[O-])o1 ZINC000572885771 651919413 /nfs/dbraw/zinc/91/94/13/651919413.db2.gz MMJSKYOOTATDQP-CQSZACIVSA-N -2 3 385.463 2.132 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)c(F)c1 ZINC000574315648 652015434 /nfs/dbraw/zinc/01/54/34/652015434.db2.gz VRNXBFTZTZUUSJ-NSHDSACASA-N -2 3 375.418 2.028 20 0 GEADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](O)Cc2ccccc2)sc1Cl ZINC000577179706 652168475 /nfs/dbraw/zinc/16/84/75/652168475.db2.gz ADTQUOOMTCBBBK-YPMHNXCESA-N -2 3 389.882 2.045 20 0 GEADHL O=C([O-])[C@@H](CC(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000579821628 652355823 /nfs/dbraw/zinc/35/58/23/652355823.db2.gz QCCFHFYOOZALJC-ZCFIWIBFSA-N -2 3 379.715 2.328 20 0 GEADHL O=C([O-])[C@H](CC(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000579821627 652355918 /nfs/dbraw/zinc/35/59/18/652355918.db2.gz QCCFHFYOOZALJC-LURJTMIESA-N -2 3 379.715 2.328 20 0 GEADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)c(F)c1)C(F)F ZINC000580255457 652372849 /nfs/dbraw/zinc/37/28/49/652372849.db2.gz OWMAOSFCVJDKFA-LURJTMIESA-N -2 3 390.177 2.223 20 0 GEADHL C[C@@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C[C@@]1(C)C(=O)[O-] ZINC000580894666 652395738 /nfs/dbraw/zinc/39/57/38/652395738.db2.gz KWKWNGDVQNAMJU-VVVCHXIZSA-N -2 3 393.237 2.473 20 0 GEADHL CC1(C)C[C@@H](S(=O)(=O)[N-]c2cc(Br)cc(C(=O)[O-])c2)CO1 ZINC000629294184 652484401 /nfs/dbraw/zinc/48/44/01/652484401.db2.gz UUWQLWHXLOCQDP-LLVKDONJSA-N -2 3 378.244 2.457 20 0 GEADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000584502597 652523187 /nfs/dbraw/zinc/52/31/87/652523187.db2.gz LWHOMWNYAPGLMC-UHFFFAOYSA-N -2 3 396.824 2.327 20 0 GEADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000584716617 652526873 /nfs/dbraw/zinc/52/68/73/652526873.db2.gz HEARZBUTTJVCTE-DGCLKSJQSA-N -2 3 386.426 2.179 20 0 GEADHL C/C=C/C[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000584758865 652527995 /nfs/dbraw/zinc/52/79/95/652527995.db2.gz ARUOPLDJEFWQGR-QAVQXKDTSA-N -2 3 379.210 2.440 20 0 GEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)c[n-]1 ZINC000585731004 652535465 /nfs/dbraw/zinc/53/54/65/652535465.db2.gz XEBMPOZEMPBPEL-UHFFFAOYSA-N -2 3 379.316 2.128 20 0 GEADHL C[C@@H](Cn1cccn1)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000761263425 652639475 /nfs/dbraw/zinc/63/94/75/652639475.db2.gz NECUYAZDQFSUHM-QMMMGPOBSA-N -2 3 378.237 2.255 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cccc(F)n2)cc1F ZINC000771531470 653114674 /nfs/dbraw/zinc/11/46/74/653114674.db2.gz QJAKJOHNEJXDPU-UHFFFAOYSA-N -2 3 391.421 2.312 20 0 GEADHL Cc1ncc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(Br)c2)s1 ZINC000681564586 653186165 /nfs/dbraw/zinc/18/61/65/653186165.db2.gz JZFNFBVFHFZNPE-NSHDSACASA-N -2 3 391.268 2.318 20 0 GEADHL O=C([N-]CCCS(=O)(=O)c1ncc(-c2ccc(F)cc2)[n-]1)C(F)(F)F ZINC000774007413 653219950 /nfs/dbraw/zinc/21/99/50/653219950.db2.gz IYOARNVSNSRVIO-UHFFFAOYSA-N -2 3 379.335 2.058 20 0 GEADHL CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)CSc1n[n-]c(=S)s1 ZINC000774011183 653220160 /nfs/dbraw/zinc/22/01/60/653220160.db2.gz AOICILJCEZHEDG-UHFFFAOYSA-N -2 3 394.500 2.068 20 0 GEADHL O=C([O-])c1ccc2[nH]c(CC[N-]S(=O)(=O)c3ccc(Cl)s3)nc2c1 ZINC000809553458 653282136 /nfs/dbraw/zinc/28/21/36/653282136.db2.gz XAMUOUVBWXZVAC-UHFFFAOYSA-N -2 3 385.854 2.497 20 0 GEADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000776534386 653355165 /nfs/dbraw/zinc/35/51/65/653355165.db2.gz PCPXDIULKBWTIL-VIFPVBQESA-N -2 3 390.248 2.005 20 0 GEADHL CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1F)C(=O)[O-] ZINC000776583466 653361425 /nfs/dbraw/zinc/36/14/25/653361425.db2.gz IDANUONFQAZNFO-GWCFXTLKSA-N -2 3 375.418 2.170 20 0 GEADHL O=C([O-])[C@H](CC1CCOCC1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000776603177 653363715 /nfs/dbraw/zinc/36/37/15/653363715.db2.gz UWICAXVYYILTCD-VIFPVBQESA-N -2 3 398.300 2.059 20 0 GEADHL CO[C@@H]([C@@H](C)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br)C1CC1 ZINC000840894598 653698705 /nfs/dbraw/zinc/69/87/05/653698705.db2.gz CVNYABNJIYPRHH-LDWIPMOCSA-N -2 3 398.300 2.301 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCC2CC(F)(F)C2)c(Br)o1 ZINC000840896112 653699124 /nfs/dbraw/zinc/69/91/24/653699124.db2.gz CRDJWVCGDGCQHR-UHFFFAOYSA-N -2 3 388.186 2.454 20 0 GEADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]CCC[C@H]2CCOC2)s1 ZINC000840895692 653699157 /nfs/dbraw/zinc/69/91/57/653699157.db2.gz SDOKUHBCGKNCGB-QMMMGPOBSA-N -2 3 398.300 2.304 20 0 GEADHL C[C@@H]1C[C@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)CS1 ZINC000840900080 653700214 /nfs/dbraw/zinc/70/02/14/653700214.db2.gz UKNYSQANPYSKBE-RITPCOANSA-N -2 3 386.314 2.381 20 0 GEADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000841496362 653721463 /nfs/dbraw/zinc/72/14/63/653721463.db2.gz NPFOJGXTHMNOSZ-IONNQARKSA-N -2 3 396.234 2.128 20 0 GEADHL COC(=O)c1sc(S(=O)(=O)[N-][C@@H]2CC[C@H](C(=O)[O-])C2)c(C)c1Cl ZINC000841498200 653721723 /nfs/dbraw/zinc/72/17/23/653721723.db2.gz UINRTIMDLLYZHU-JGVFFNPUSA-N -2 3 381.859 2.028 20 0 GEADHL C[C@@H]1SCC[C@H]1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000843286667 653782756 /nfs/dbraw/zinc/78/27/56/653782756.db2.gz ATFXZEKYQIBMFZ-CAHLUQPWSA-N -2 3 386.314 2.381 20 0 GEADHL CN1CCCC(C)(C)[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000790665128 653795633 /nfs/dbraw/zinc/79/56/33/653795633.db2.gz DJGDGBNILARBSI-CYBMUJFWSA-N -2 3 376.425 2.062 20 0 GEADHL Cc1ccc(C[C@H](C[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)C(=O)[O-])cc1 ZINC000844790147 653818097 /nfs/dbraw/zinc/81/80/97/653818097.db2.gz VYYWNALNJQRAQQ-GFCCVEGCSA-N -2 3 386.832 2.404 20 0 GEADHL CC(C)=CCSC[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C(=O)[O-] ZINC000844790288 653818156 /nfs/dbraw/zinc/81/81/56/653818156.db2.gz RRFKNTKXUYMIQR-NSHDSACASA-N -2 3 382.866 2.305 20 0 GEADHL Cc1ccccc1C[C@@H](C[N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C(=O)[O-] ZINC000844789129 653818183 /nfs/dbraw/zinc/81/81/83/653818183.db2.gz NZXAZDUUAFXSSE-LBPRGKRZSA-N -2 3 386.832 2.404 20 0 GEADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC2=O)C(F)(F)F ZINC000844800725 653819008 /nfs/dbraw/zinc/81/90/08/653819008.db2.gz MBZSAVJSKXTGHI-QMMMGPOBSA-N -2 3 399.774 2.400 20 0 GEADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC2=O)C(F)F ZINC000844802947 653819079 /nfs/dbraw/zinc/81/90/79/653819079.db2.gz GPLISNABQJWHIY-MRVPVSSYSA-N -2 3 381.784 2.103 20 0 GEADHL Cc1nnsc1C[N-]S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000793344767 653875933 /nfs/dbraw/zinc/87/59/33/653875933.db2.gz CNFIHPNNXJVVFR-UHFFFAOYSA-N -2 3 382.250 2.330 20 0 GEADHL COC[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000846767874 653909192 /nfs/dbraw/zinc/90/91/92/653909192.db2.gz PYHMQXOSPDPCPE-MRVPVSSYSA-N -2 3 398.275 2.470 20 0 GEADHL COC(=O)c1cc(C)c(F)c(S(=O)(=O)[N-][C@@H](C)CCCCC(=O)[O-])c1 ZINC000848676051 653990581 /nfs/dbraw/zinc/99/05/81/653990581.db2.gz MEONWRGDDMLXPU-NSHDSACASA-N -2 3 375.418 2.233 20 0 GEADHL O=C(c1cc(Br)cc(F)c1[O-])N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000868064169 654016744 /nfs/dbraw/zinc/01/67/44/654016744.db2.gz PPNIWRPBJDCOJD-UHFFFAOYSA-N -2 3 386.177 2.402 20 0 GEADHL COc1cc(F)c(S(=O)(=O)[N-][C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1F ZINC000899559727 654021838 /nfs/dbraw/zinc/02/18/38/654021838.db2.gz OFKGYVIEPVNQMT-KXUCPTDWSA-N -2 3 377.409 2.387 20 0 GEADHL CN(C[C@H]1CCN(C(=O)NCc2ccc([O-])c(Br)c2)C1)C(=O)[O-] ZINC000828254205 654030659 /nfs/dbraw/zinc/03/06/59/654030659.db2.gz XAPXJFJBAADQNQ-LLVKDONJSA-N -2 3 386.246 2.296 20 0 GEADHL O=C([O-])C1CC2(C1)C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)CCS2 ZINC000899948652 654040354 /nfs/dbraw/zinc/04/03/54/654040354.db2.gz HVLIFACMIVAXJT-UQACVICXSA-N -2 3 377.434 2.372 20 0 GEADHL CCc1cc(=O)[n-]c(SCC(=O)C2([N-]C(=O)C(F)(F)F)CCCC2)n1 ZINC000829463180 654068119 /nfs/dbraw/zinc/06/81/19/654068119.db2.gz HTXDKFFIFKWACE-UHFFFAOYSA-N -2 3 377.388 2.397 20 0 GEADHL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1CC[C@@H]1CC1(Cl)Cl ZINC000852737404 654257977 /nfs/dbraw/zinc/25/79/77/654257977.db2.gz SHNOHZHUHJJVST-VGMNWLOBSA-N -2 3 377.190 2.166 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](C[C@@H]2CCCO2)C(F)(F)F)cc1F ZINC000871979990 654299307 /nfs/dbraw/zinc/29/93/07/654299307.db2.gz ZZBVHQKBASGIPZ-UFBFGSQYSA-N -2 3 385.335 2.302 20 0 GEADHL O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000909159696 654654465 /nfs/dbraw/zinc/65/44/65/654654465.db2.gz OSJVDCTXHMRDOG-VIFPVBQESA-N -2 3 379.157 2.159 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]c2cc(S(C)(=O)=O)ccc2F)cc1C(=O)[O-] ZINC000023144916 531596284 /nfs/dbraw/zinc/59/62/84/531596284.db2.gz DYUSLEUQCLITKC-UHFFFAOYSA-N -2 3 387.410 2.037 20 0 GEADHL Cc1nc(C(C)(C)C)sc1C(=O)[N-]c1nnc([N-]S(C)(=O)=O)s1 ZINC000061413048 531853505 /nfs/dbraw/zinc/85/35/05/531853505.db2.gz SYGRUXOESFFNNX-UHFFFAOYSA-N -2 3 375.501 2.224 20 0 GEADHL COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C1(C(=O)[O-])CCC1 ZINC000164925860 531869112 /nfs/dbraw/zinc/86/91/12/531869112.db2.gz NJPOUVZDGFEWIB-UHFFFAOYSA-N -2 3 398.662 2.397 20 0 GEADHL CC[N-]S(=O)(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000137260499 532289320 /nfs/dbraw/zinc/28/93/20/532289320.db2.gz ARKJWPJTLIJCGD-UHFFFAOYSA-N -2 3 394.396 2.203 20 0 GEADHL O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)c1cc(F)c([O-])c(F)c1 ZINC000186918624 532342521 /nfs/dbraw/zinc/34/25/21/532342521.db2.gz INBHKMZAAORTFM-UHFFFAOYSA-N -2 3 396.824 2.094 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)[C@H]1CCOC2(CCC2)C1 ZINC000372263143 532379844 /nfs/dbraw/zinc/37/98/44/532379844.db2.gz UYAIDGCMOGWYMH-HZMBPMFUSA-N -2 3 375.393 2.046 20 0 GEADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CCO[C@H]1CCCC[C@@H]1C ZINC000516648051 532388903 /nfs/dbraw/zinc/38/89/03/532388903.db2.gz JCZYADFIMMBMQA-QWRGUYRKSA-N -2 3 377.484 2.329 20 0 GEADHL Cc1cc(S(=O)(=O)[N-][C@@H](CC2CC2)C(=O)[O-])c(F)cc1Br ZINC000517223107 532409962 /nfs/dbraw/zinc/40/99/62/532409962.db2.gz KIBDSNRBKJZOCX-NSHDSACASA-N -2 3 380.235 2.428 20 0 GEADHL COC(=O)c1sccc1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1cccs1 ZINC000591587845 532414497 /nfs/dbraw/zinc/41/44/97/532414497.db2.gz QCDLRKJMZPZDCU-MRVPVSSYSA-N -2 3 375.449 2.091 20 0 GEADHL CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c1 ZINC000427308663 532420428 /nfs/dbraw/zinc/42/04/28/532420428.db2.gz OWSOSOWHZDVPPN-UHFFFAOYSA-N -2 3 387.410 2.118 20 0 GEADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000681567956 532430235 /nfs/dbraw/zinc/43/02/35/532430235.db2.gz HEWGCVQDYFMHRC-NSHDSACASA-N -2 3 378.328 2.414 20 0 GEADHL CCn1cnc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)c1 ZINC000681569053 532430444 /nfs/dbraw/zinc/43/04/44/532430444.db2.gz VXXULRLYNWDLGL-GFCCVEGCSA-N -2 3 377.344 2.026 20 0 GEADHL CC(C)c1nc(S(=O)(=O)[N-][C@@H](Cc2c(F)cccc2Cl)C(=O)[O-])c[nH]1 ZINC000681578853 532431690 /nfs/dbraw/zinc/43/16/90/532431690.db2.gz LCGPWCZROPUPLZ-LBPRGKRZSA-N -2 3 389.836 2.300 20 0 GEADHL CCC[C@@H](CCCC[N-]S(=O)(=O)c1ccc(CC(=O)OC)s1)C(=O)[O-] ZINC000281818697 532435431 /nfs/dbraw/zinc/43/54/31/532435431.db2.gz QWLQYRHBRYGPSD-LBPRGKRZSA-N -2 3 391.511 2.413 20 0 GEADHL COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]C1([C@@H](C)C(=O)[O-])CC1 ZINC000650426406 532445083 /nfs/dbraw/zinc/44/50/83/532445083.db2.gz KBWBZYGELGHBCT-NSHDSACASA-N -2 3 391.873 2.287 20 0 GEADHL COCC1(S(=O)(=O)[N-]c2cc(Br)c(F)cc2C(=O)[O-])CC1 ZINC000650420534 532445336 /nfs/dbraw/zinc/44/53/36/532445336.db2.gz AFEAXXFYQRYRFL-UHFFFAOYSA-N -2 3 382.207 2.207 20 0 GEADHL COc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cc(F)ccc2F)c(F)c1 ZINC000682895734 532450402 /nfs/dbraw/zinc/45/04/02/532450402.db2.gz ABSHBERUTRVABS-AWEZNQCLSA-N -2 3 375.324 2.217 20 0 GEADHL O=C([O-])c1csc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)n1 ZINC000682898019 532450522 /nfs/dbraw/zinc/45/05/22/532450522.db2.gz WQWVNMIFQBRTJV-UHFFFAOYSA-N -2 3 384.332 2.478 20 0 GEADHL O=C([O-])[C@@H]1CC(=O)N(C2CCN(Cc3cccc([O-])c3Br)CC2)C1 ZINC000650793320 532454772 /nfs/dbraw/zinc/45/47/72/532454772.db2.gz YGBICPNZUBFJBB-GFCCVEGCSA-N -2 3 397.269 2.052 20 0 GEADHL CC[N-]S(=O)(=O)c1cc(F)ccc1[N-]S(=O)(=O)CCc1ccccc1 ZINC000468696322 532471847 /nfs/dbraw/zinc/47/18/47/532471847.db2.gz WIVXEXAKOOZIKN-UHFFFAOYSA-N -2 3 386.470 2.108 20 0 GEADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)c1C(=O)[O-] ZINC000684895002 532487814 /nfs/dbraw/zinc/48/78/14/532487814.db2.gz ONNNRDQKGFGFLU-UHFFFAOYSA-N -2 3 386.788 2.385 20 0 GEADHL CCOc1ccc(C[C@@H](C[N-]S(=O)(=O)c2cnc(C)s2)C(=O)[O-])cc1 ZINC000521038635 532502941 /nfs/dbraw/zinc/50/29/41/532502941.db2.gz BGFQUMFEJUJGHT-ZDUSSCGKSA-N -2 3 384.479 2.072 20 0 GEADHL C[N-]S(=O)(=O)c1cc([N-]S(=O)(=O)c2sc(C)cc2C)ccc1F ZINC000431176920 532506087 /nfs/dbraw/zinc/50/60/87/532506087.db2.gz FFJIQNIGOIUSCS-UHFFFAOYSA-N -2 3 378.472 2.213 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)c2ccccc2)s1 ZINC000594679423 532519418 /nfs/dbraw/zinc/51/94/18/532519418.db2.gz CJKXFAJZDIAOQD-QMTHXVAHSA-N -2 3 383.447 2.070 20 0 GEADHL O=C([O-])c1cccc(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)c1 ZINC000652392560 532511207 /nfs/dbraw/zinc/51/12/07/532511207.db2.gz RKOFPNWGJHIHSE-UHFFFAOYSA-N -2 3 380.491 2.389 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)[C@H]1CCCO1 ZINC000630421339 532518751 /nfs/dbraw/zinc/51/87/51/532518751.db2.gz DSZSMVJNWQVOPK-MWLCHTKSSA-N -2 3 398.662 2.013 20 0 GEADHL CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000564855536 532535221 /nfs/dbraw/zinc/53/52/21/532535221.db2.gz FLNIUTYJTHPACY-RFAUZJTJSA-N -2 3 388.873 2.248 20 0 GEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]C[C@@H](OC)C(C)(C)C ZINC000564917730 532536745 /nfs/dbraw/zinc/53/67/45/532536745.db2.gz BQFQRYPWAQDSKV-GFCCVEGCSA-N -2 3 379.862 2.386 20 0 GEADHL COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]C1(CC(=O)[O-])CCC1 ZINC000564921230 532538347 /nfs/dbraw/zinc/53/83/47/532538347.db2.gz BBDJBJIOFUYMFJ-UHFFFAOYSA-N -2 3 391.873 2.431 20 0 GEADHL COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](C)CC(=O)[O-] ZINC000526060753 532539432 /nfs/dbraw/zinc/53/94/32/532539432.db2.gz YDRUOEOCYMAOMA-GHMZBOCLSA-N -2 3 379.862 2.143 20 0 GEADHL O=C([O-])[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000564809152 532532767 /nfs/dbraw/zinc/53/27/67/532532767.db2.gz ZMVNPYKTNNSEBK-PSASIEDQSA-N -2 3 399.799 2.100 20 0 GEADHL COCC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])sc2Br)CCC1 ZINC000283752293 532554012 /nfs/dbraw/zinc/55/40/12/532554012.db2.gz GKLFPHSBFZPDQF-UHFFFAOYSA-N -2 3 398.300 2.304 20 0 GEADHL COc1cc(F)c(Br)cc1S(=O)(=O)[N-]C[C@@H](C)CCC(=O)[O-] ZINC000565232731 532554349 /nfs/dbraw/zinc/55/43/49/532554349.db2.gz LOXNMOYESDYPNS-QMMMGPOBSA-N -2 3 398.250 2.376 20 0 GEADHL CC(C)(C)n1ncnc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000283770946 532556186 /nfs/dbraw/zinc/55/61/86/532556186.db2.gz JHEDQAMFRCEHRP-UHFFFAOYSA-N -2 3 390.824 2.002 20 0 GEADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000654783544 532568673 /nfs/dbraw/zinc/56/86/73/532568673.db2.gz LNFVKLREGLGAJB-NSHDSACASA-N -2 3 392.271 2.306 20 0 GEADHL COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C ZINC000262335112 532590445 /nfs/dbraw/zinc/59/04/45/532590445.db2.gz BQMIKDFAWHNKIJ-IINYFYTJSA-N -2 3 379.862 2.141 20 0 GEADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)C(F)(F)F ZINC000566077150 532591168 /nfs/dbraw/zinc/59/11/68/532591168.db2.gz RLVPAEQYBHYALR-LURJTMIESA-N -2 3 395.277 2.359 20 0 GEADHL C[N-]S(=O)(=O)c1cc(C(=O)[N-]c2nnc(/C=C\c3ccco3)s2)co1 ZINC000255356754 532574002 /nfs/dbraw/zinc/57/40/02/532574002.db2.gz JYOSFMMSVWYZIC-PLNGDYQASA-N -2 3 380.407 2.055 20 0 GEADHL CC(=O)c1cccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)c1 ZINC000433616717 532574619 /nfs/dbraw/zinc/57/46/19/532574619.db2.gz NAFYDKGCUYDTMX-UHFFFAOYSA-N -2 3 386.426 2.201 20 0 GEADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000297272774 532576990 /nfs/dbraw/zinc/57/69/90/532576990.db2.gz SQZHNRJKTQFQQW-JTQLQIEISA-N -2 3 380.260 2.379 20 0 GEADHL COC(=O)c1sc2[n-]c(CSc3ncc(C)c(=O)[n-]3)nc(=O)c2c1C ZINC000566497616 532614406 /nfs/dbraw/zinc/61/44/06/532614406.db2.gz DTYIOAKITJDOBF-UHFFFAOYSA-N -2 3 378.435 2.176 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-][C@@H](C[C@@H]2CCCO2)C(F)(F)F)c(C(=O)[O-])c1 ZINC000656180225 532609288 /nfs/dbraw/zinc/60/92/88/532609288.db2.gz FJDMJLRGEADVBC-GWCFXTLKSA-N -2 3 381.372 2.472 20 0 GEADHL CO[C@H](CS(=O)(=O)[N-]c1cc(Cl)c(Cl)c(C(=O)[O-])c1)[C@@H]1CCOC1 ZINC000656625168 532626618 /nfs/dbraw/zinc/62/66/18/532626618.db2.gz XTNCNVNRIYFMMZ-PRHODGIISA-N -2 3 398.264 2.485 20 0 GEADHL CO[C@H](CS(=O)(=O)[N-]c1c([O-])ccc(Br)c1C)[C@H]1CCOC1 ZINC000656630886 532628563 /nfs/dbraw/zinc/62/85/63/532628563.db2.gz GLZRROSINBQQNQ-GXFFZTMASA-N -2 3 394.287 2.256 20 0 GEADHL COC(=O)c1scc(C)c1[N-]S(=O)(=O)c1ccc([O-])c(NC(C)=O)c1 ZINC000436191988 532629967 /nfs/dbraw/zinc/62/99/67/532629967.db2.gz RHDHKWUBGSCXKF-UHFFFAOYSA-N -2 3 384.435 2.308 20 0 GEADHL O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc(Cl)cc1[O-] ZINC000436500998 532634466 /nfs/dbraw/zinc/63/44/66/532634466.db2.gz AYIXUHDYKLUMCW-UHFFFAOYSA-N -2 3 395.289 2.469 20 0 GEADHL O=C([O-])CCCCCS(=O)(=O)[N-]Cc1nc(-c2cccc(Cl)c2)no1 ZINC000567107593 532641864 /nfs/dbraw/zinc/64/18/64/532641864.db2.gz HXVMSHFETIIPNB-UHFFFAOYSA-N -2 3 387.845 2.454 20 0 GEADHL CCOc1cc(/C=C/c2cc(=O)n3[n-]cnc3n2)cc(Br)c1[O-] ZINC000436716828 532642583 /nfs/dbraw/zinc/64/25/83/532642583.db2.gz RGMTYOFIODGVHL-ONEGZZNKSA-N -2 3 377.198 2.455 20 0 GEADHL O=S(=O)([N-]c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F)c1ccco1 ZINC000437659073 532662218 /nfs/dbraw/zinc/66/22/18/532662218.db2.gz WPDLBTMUSQDCGZ-UHFFFAOYSA-N -2 3 394.833 2.314 20 0 GEADHL C/C=C\C[C@@H]([N-]S(=O)(=O)c1cc(Br)cc2c1OCC2)C(=O)[O-] ZINC000567808001 532665687 /nfs/dbraw/zinc/66/56/87/532665687.db2.gz BZXPYRCIYPSAKK-OTDNITJGSA-N -2 3 390.255 2.082 20 0 GEADHL O=C([O-])C[C@H](CC[N-]S(=O)(=O)c1cccc2nsnc21)C(F)(F)F ZINC000285291951 532667856 /nfs/dbraw/zinc/66/78/56/532667856.db2.gz XKKXXBKBOPTWBG-ZETCQYMHSA-N -2 3 383.373 2.013 20 0 GEADHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccccc3[N-]S(C)(=O)=O)ccc2O1 ZINC000264270036 532668237 /nfs/dbraw/zinc/66/82/37/532668237.db2.gz AVCVVELJZAZVQB-NSHDSACASA-N -2 3 382.463 2.182 20 0 GEADHL Cc1ncsc1[C@H]([N-]S(=O)(=O)c1ccc(OC(F)F)c(F)c1)C(=O)[O-] ZINC000569554761 532699064 /nfs/dbraw/zinc/69/90/64/532699064.db2.gz IQYOKWCYRSNIEL-JTQLQIEISA-N -2 3 396.368 2.296 20 0 GEADHL CC(C)(C)OC(=O)C[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000392509817 532708221 /nfs/dbraw/zinc/70/82/21/532708221.db2.gz OPTMYUKSKIOGEA-NSHDSACASA-N -2 3 398.264 2.457 20 0 GEADHL CC[N-]S(=O)(=O)c1cc(F)ccc1[N-]S(=O)(=O)CCC1CCCC1 ZINC000573792193 532711910 /nfs/dbraw/zinc/71/19/10/532711910.db2.gz RZKIPQYZMIWZKL-UHFFFAOYSA-N -2 3 378.491 2.446 20 0 GEADHL CC[C@H](C[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC)CC(=O)[O-] ZINC000575234129 532718367 /nfs/dbraw/zinc/71/83/67/532718367.db2.gz WMFMJPPOIHTPBA-QMMMGPOBSA-N -2 3 398.250 2.376 20 0 GEADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000575225258 532718394 /nfs/dbraw/zinc/71/83/94/532718394.db2.gz HMAHXFSHKJMQRF-UHFFFAOYSA-N -2 3 392.861 2.496 20 0 GEADHL O=C([O-])c1cccc(CC[N-]S(=O)(=O)c2ccc(Br)s2)n1 ZINC000541927569 532763116 /nfs/dbraw/zinc/76/31/16/532763116.db2.gz KBNUEAZJOCYDCW-UHFFFAOYSA-N -2 3 391.268 2.125 20 0 GEADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H](C(=O)[O-])C1CCC1 ZINC000547610136 532787313 /nfs/dbraw/zinc/78/73/13/532787313.db2.gz BJZPQRBMHZPNMQ-GFCCVEGCSA-N -2 3 396.234 2.128 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(Cl)c1 ZINC000547614156 532787359 /nfs/dbraw/zinc/78/73/59/532787359.db2.gz XAHGWZLTGSNGBX-NSHDSACASA-N -2 3 376.799 2.414 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccc(Cl)c1 ZINC000547614155 532787731 /nfs/dbraw/zinc/78/77/31/532787731.db2.gz XAHGWZLTGSNGBX-LLVKDONJSA-N -2 3 376.799 2.414 20 0 GEADHL CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c([N-]S(C)(=O)=O)c2)cc1 ZINC000326674906 532790382 /nfs/dbraw/zinc/79/03/82/532790382.db2.gz LUXLFFRNKASULQ-UHFFFAOYSA-N -2 3 386.426 2.201 20 0 GEADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)c1 ZINC000326878177 532790794 /nfs/dbraw/zinc/79/07/94/532790794.db2.gz BFPTVWJNPYXAMT-UHFFFAOYSA-N -2 3 384.772 2.473 20 0 GEADHL COc1cc(F)c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)cc1OC ZINC000327276845 532791266 /nfs/dbraw/zinc/79/12/66/532791266.db2.gz UQPYPBHOHHZRSK-NSHDSACASA-N -2 3 377.434 2.258 20 0 GEADHL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Br ZINC000315642913 532781533 /nfs/dbraw/zinc/78/15/33/532781533.db2.gz RKWSUAIQHWTSEW-UHFFFAOYSA-N -2 3 388.243 2.298 20 0 GEADHL Cc1ncc(C[N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(Cl)c2)o1 ZINC000414351300 532822008 /nfs/dbraw/zinc/82/20/08/532822008.db2.gz NHCAZGXHMARSRL-UHFFFAOYSA-N -2 3 388.829 2.359 20 0 GEADHL COc1cc(C(=O)[O-])c([N-]S(=O)(=O)CC(C)(C)OC)cc1OC(F)F ZINC000414366865 532822174 /nfs/dbraw/zinc/82/21/74/532822174.db2.gz CGIJYVLHQIGFFZ-UHFFFAOYSA-N -2 3 383.369 2.162 20 0 GEADHL COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](C)CC(=O)[O-] ZINC000274918577 532859585 /nfs/dbraw/zinc/85/95/85/532859585.db2.gz AJOBJCMBCGYOKT-NSHDSACASA-N -2 3 379.862 2.144 20 0 GEADHL C[C@H](C[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F)C(=O)[O-] ZINC000274941610 532860045 /nfs/dbraw/zinc/86/00/45/532860045.db2.gz RATVXDIKOJUYFN-ZCFIWIBFSA-N -2 3 390.177 2.467 20 0 GEADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CC[C@@H](C)CC(=O)[O-] ZINC000274970130 532860822 /nfs/dbraw/zinc/86/08/22/532860822.db2.gz IPWKGHUFHHGHRK-MRVPVSSYSA-N -2 3 398.250 2.376 20 0 GEADHL CCO[C@@H]1C[C@@]([N-]S(=O)(=O)c2ccc(F)cc2Cl)(C(=O)[O-])C1(C)C ZINC000275576110 532879187 /nfs/dbraw/zinc/87/91/87/532879187.db2.gz GWCGOHYYJMSVJQ-IUODEOHRSA-N -2 3 379.837 2.416 20 0 GEADHL CC[C@H](CS(=O)(=O)[N-]c1cc(OC(F)F)c(OC)cc1C(=O)[O-])OC ZINC000421137967 532888306 /nfs/dbraw/zinc/88/83/06/532888306.db2.gz AAEJXJJVZNYFHU-MRVPVSSYSA-N -2 3 383.369 2.162 20 0 GEADHL COc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000737027012 598843542 /nfs/dbraw/zinc/84/35/42/598843542.db2.gz WYMYMRIQWNDKSF-UHFFFAOYSA-N -2 3 383.792 2.469 20 0 GEADHL COc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000737027012 598843543 /nfs/dbraw/zinc/84/35/43/598843543.db2.gz WYMYMRIQWNDKSF-UHFFFAOYSA-N -2 3 383.792 2.469 20 0 GEADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)cc1Cl ZINC000738213246 598843859 /nfs/dbraw/zinc/84/38/59/598843859.db2.gz GRHNZJULESFZCY-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)cc1Cl ZINC000738213246 598843861 /nfs/dbraw/zinc/84/38/61/598843861.db2.gz GRHNZJULESFZCY-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL CC(C)COc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cn1 ZINC000735844088 598844631 /nfs/dbraw/zinc/84/46/31/598844631.db2.gz HFXXYHWUYOFOTO-UHFFFAOYSA-N -2 3 392.416 2.236 20 0 GEADHL CC(C)COc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000735844088 598844632 /nfs/dbraw/zinc/84/46/32/598844632.db2.gz HFXXYHWUYOFOTO-UHFFFAOYSA-N -2 3 392.416 2.236 20 0 GEADHL Cc1cccc([C@H](C)C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000737384701 598909538 /nfs/dbraw/zinc/90/95/38/598909538.db2.gz MXAMIRQXDJKFRO-ZDUSSCGKSA-N -2 3 385.449 2.092 20 0 GEADHL Cc1cccc([C@H](C)C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000737384701 598909541 /nfs/dbraw/zinc/90/95/41/598909541.db2.gz MXAMIRQXDJKFRO-ZDUSSCGKSA-N -2 3 385.449 2.092 20 0 GEADHL C[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735987316 598924071 /nfs/dbraw/zinc/92/40/71/598924071.db2.gz YMUZHUCJVSJHOE-LBPRGKRZSA-N -2 3 377.470 2.029 20 0 GEADHL C[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735987316 598924073 /nfs/dbraw/zinc/92/40/73/598924073.db2.gz YMUZHUCJVSJHOE-LBPRGKRZSA-N -2 3 377.470 2.029 20 0 GEADHL CC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736352800 598924594 /nfs/dbraw/zinc/92/45/94/598924594.db2.gz ZGTZEKGRCGGZIE-HNNXBMFYSA-N -2 3 391.497 2.419 20 0 GEADHL CC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736352800 598924596 /nfs/dbraw/zinc/92/45/96/598924596.db2.gz ZGTZEKGRCGGZIE-HNNXBMFYSA-N -2 3 391.497 2.419 20 0 GEADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cnn(-c2ccccc2)c1 ZINC000737225273 598948573 /nfs/dbraw/zinc/94/85/73/598948573.db2.gz AWHGBILZTXLSDY-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cnn(-c2ccccc2)c1 ZINC000737225273 598948574 /nfs/dbraw/zinc/94/85/74/598948574.db2.gz AWHGBILZTXLSDY-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL CC(C)=C[C@H]1[C@@H](C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)C1(C)C ZINC000735680361 598975521 /nfs/dbraw/zinc/97/55/21/598975521.db2.gz UYLYRFYDYONGKA-ZFWWWQNUSA-N -2 3 389.481 2.218 20 0 GEADHL CC(C)=C[C@H]1[C@@H](C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)C1(C)C ZINC000735680361 598975523 /nfs/dbraw/zinc/97/55/23/598975523.db2.gz UYLYRFYDYONGKA-ZFWWWQNUSA-N -2 3 389.481 2.218 20 0 GEADHL CC(C)Oc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC000735906799 599096946 /nfs/dbraw/zinc/09/69/46/599096946.db2.gz XAGHXNDGHKVIDR-UHFFFAOYSA-N -2 3 391.457 2.232 20 0 GEADHL Cc1ccccc1[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737419851 599191439 /nfs/dbraw/zinc/19/14/39/599191439.db2.gz FSNJIYVUFKISRD-CYBMUJFWSA-N -2 3 385.449 2.174 20 0 GEADHL Cc1ccccc1[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737419851 599191441 /nfs/dbraw/zinc/19/14/41/599191441.db2.gz FSNJIYVUFKISRD-CYBMUJFWSA-N -2 3 385.449 2.174 20 0 GEADHL CCCC[C@H](CC)CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736438962 599245410 /nfs/dbraw/zinc/24/54/10/599245410.db2.gz PTQZWSLIXKPUQR-ZDUSSCGKSA-N -2 3 379.486 2.419 20 0 GEADHL CCCC[C@H](CC)CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736438962 599245413 /nfs/dbraw/zinc/24/54/13/599245413.db2.gz PTQZWSLIXKPUQR-ZDUSSCGKSA-N -2 3 379.486 2.419 20 0 GEADHL CCCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000821128141 599303642 /nfs/dbraw/zinc/30/36/42/599303642.db2.gz PUIGDMBZDWETIJ-UHFFFAOYSA-N -2 3 377.405 2.024 20 0 GEADHL C[C@H](CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000735973627 598306688 /nfs/dbraw/zinc/30/66/88/598306688.db2.gz BZDSTFDEURLPHF-GFCCVEGCSA-N -2 3 377.470 2.278 20 0 GEADHL C[C@H](CC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000735973627 598306690 /nfs/dbraw/zinc/30/66/90/598306690.db2.gz BZDSTFDEURLPHF-GFCCVEGCSA-N -2 3 377.470 2.278 20 0 GEADHL CCC=C(C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000736413543 598331549 /nfs/dbraw/zinc/33/15/49/598331549.db2.gz ZXESJFDQCPGAPY-YWEYNIOJSA-N -2 3 389.359 2.047 20 0 GEADHL CCC=C(C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000736413543 598331551 /nfs/dbraw/zinc/33/15/51/598331551.db2.gz ZXESJFDQCPGAPY-YWEYNIOJSA-N -2 3 389.359 2.047 20 0 GEADHL C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1F ZINC000735977734 598372139 /nfs/dbraw/zinc/37/21/39/598372139.db2.gz VIQBLNBOQLWFPD-NSHDSACASA-N -2 3 389.412 2.005 20 0 GEADHL C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1F ZINC000735977734 598372140 /nfs/dbraw/zinc/37/21/40/598372140.db2.gz VIQBLNBOQLWFPD-NSHDSACASA-N -2 3 389.412 2.005 20 0 GEADHL O=S(=O)([N-]c1ccc(OC2CCCC2)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738342178 598382307 /nfs/dbraw/zinc/38/23/07/598382307.db2.gz NYDHMNKWPXSDLZ-UHFFFAOYSA-N -2 3 386.437 2.384 20 0 GEADHL O=S(=O)([N-]c1ccc(OC2CCCC2)nc1)c1ccccc1-c1nnn[n-]1 ZINC000738342980 598382451 /nfs/dbraw/zinc/38/24/51/598382451.db2.gz UUJBDHMIWGYKTH-UHFFFAOYSA-N -2 3 386.437 2.384 20 0 GEADHL O=S(=O)([N-]c1ccc(OC2CCCC2)nc1)c1ccccc1-c1nn[n-]n1 ZINC000738342980 598382453 /nfs/dbraw/zinc/38/24/53/598382453.db2.gz UUJBDHMIWGYKTH-UHFFFAOYSA-N -2 3 386.437 2.384 20 0 GEADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)sc1C ZINC000737236588 598414777 /nfs/dbraw/zinc/41/47/77/598414777.db2.gz OJOAXOSWVYTQQF-UHFFFAOYSA-N -2 3 397.869 2.317 20 0 GEADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)sc1C ZINC000737236588 598414780 /nfs/dbraw/zinc/41/47/80/598414780.db2.gz OJOAXOSWVYTQQF-UHFFFAOYSA-N -2 3 397.869 2.317 20 0 GEADHL Cc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1C ZINC000737385362 598416315 /nfs/dbraw/zinc/41/63/15/598416315.db2.gz RGIAATADHJEEBI-UHFFFAOYSA-N -2 3 391.840 2.256 20 0 GEADHL Cc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1C ZINC000737385362 598416318 /nfs/dbraw/zinc/41/63/18/598416318.db2.gz RGIAATADHJEEBI-UHFFFAOYSA-N -2 3 391.840 2.256 20 0 GEADHL O=C(CCc1ccsc1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737860943 598417251 /nfs/dbraw/zinc/41/72/51/598417251.db2.gz PDWOZBDRMZRWBK-UHFFFAOYSA-N -2 3 397.869 2.019 20 0 GEADHL O=C(CCc1ccsc1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737860943 598417253 /nfs/dbraw/zinc/41/72/53/598417253.db2.gz PDWOZBDRMZRWBK-UHFFFAOYSA-N -2 3 397.869 2.019 20 0 GEADHL CC(C)C[C@@H](C)n1nccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735761684 598437634 /nfs/dbraw/zinc/43/76/34/598437634.db2.gz PSYLZLHUDALAQA-GFCCVEGCSA-N -2 3 375.458 2.471 20 0 GEADHL CC(C)C[C@@H](C)n1nccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735761684 598437636 /nfs/dbraw/zinc/43/76/36/598437636.db2.gz PSYLZLHUDALAQA-GFCCVEGCSA-N -2 3 375.458 2.471 20 0 GEADHL C[C@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000735963834 598451464 /nfs/dbraw/zinc/45/14/64/598451464.db2.gz ORVBWIORNSKLHN-SECBINFHSA-N -2 3 393.860 2.488 20 0 GEADHL C[C@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000735963834 598451466 /nfs/dbraw/zinc/45/14/66/598451466.db2.gz ORVBWIORNSKLHN-SECBINFHSA-N -2 3 393.860 2.488 20 0 GEADHL Cn1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000737611644 598452771 /nfs/dbraw/zinc/45/27/71/598452771.db2.gz FDQYMMDSGCOVGM-UHFFFAOYSA-N -2 3 397.420 2.193 20 0 GEADHL Cn1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000737611644 598452773 /nfs/dbraw/zinc/45/27/73/598452773.db2.gz FDQYMMDSGCOVGM-UHFFFAOYSA-N -2 3 397.420 2.193 20 0 GEADHL CCc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736687504 598537395 /nfs/dbraw/zinc/53/73/95/598537395.db2.gz MVBMBOXQXBQMQK-CYBMUJFWSA-N -2 3 399.476 2.179 20 0 GEADHL CCc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736687504 598537396 /nfs/dbraw/zinc/53/73/96/598537396.db2.gz MVBMBOXQXBQMQK-CYBMUJFWSA-N -2 3 399.476 2.179 20 0 GEADHL O=S(=O)([N-]c1ccc(F)c(-c2nn[n-]n2)c1)c1c(Cl)nc2sccn21 ZINC000738341646 598663704 /nfs/dbraw/zinc/66/37/04/598663704.db2.gz HXKQZKBTQJGYGK-UHFFFAOYSA-N -2 3 399.820 2.169 20 0 GEADHL Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000737202178 598673637 /nfs/dbraw/zinc/67/36/37/598673637.db2.gz KZRVBYGYIRZASF-UHFFFAOYSA-N -2 3 397.420 2.491 20 0 GEADHL Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000737202178 598673638 /nfs/dbraw/zinc/67/36/38/598673638.db2.gz KZRVBYGYIRZASF-UHFFFAOYSA-N -2 3 397.420 2.491 20 0 GEADHL Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)cc1Cl ZINC000737312611 598727940 /nfs/dbraw/zinc/72/79/40/598727940.db2.gz LROOZCDYCTWIOY-UHFFFAOYSA-N -2 3 391.840 2.088 20 0 GEADHL Cc1ccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)cc1Cl ZINC000737312611 598727941 /nfs/dbraw/zinc/72/79/41/598727941.db2.gz LROOZCDYCTWIOY-UHFFFAOYSA-N -2 3 391.840 2.088 20 0 GEADHL CC[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000736329958 598784810 /nfs/dbraw/zinc/78/48/10/598784810.db2.gz BDKXMVAWZSDJEG-AWEZNQCLSA-N -2 3 399.476 2.397 20 0 GEADHL CC[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000736329958 598784811 /nfs/dbraw/zinc/78/48/11/598784811.db2.gz BDKXMVAWZSDJEG-AWEZNQCLSA-N -2 3 399.476 2.397 20 0 GEADHL CC[C@@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736353599 598785069 /nfs/dbraw/zinc/78/50/69/598785069.db2.gz OPNKJCYPBRLEMS-INIZCTEOSA-N -2 3 399.476 2.082 20 0 GEADHL CC[C@@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736353599 598785071 /nfs/dbraw/zinc/78/50/71/598785071.db2.gz OPNKJCYPBRLEMS-INIZCTEOSA-N -2 3 399.476 2.082 20 0 GEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cncc(F)c1 ZINC000823583531 599307805 /nfs/dbraw/zinc/30/78/05/599307805.db2.gz SIYXYUYHZDZZDI-UHFFFAOYSA-N -2 3 388.306 2.220 20 0 GEADHL C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736200168 599515897 /nfs/dbraw/zinc/51/58/97/599515897.db2.gz CIDMCVMXZPACCA-YLSINNKHSA-N -2 3 383.433 2.087 20 0 GEADHL C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736200168 599515898 /nfs/dbraw/zinc/51/58/98/599515898.db2.gz CIDMCVMXZPACCA-YLSINNKHSA-N -2 3 383.433 2.087 20 0 GEADHL O=C(CCCC1CCCC1)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822954744 599620175 /nfs/dbraw/zinc/62/01/75/599620175.db2.gz BKEJFHBTOBWGIF-UHFFFAOYSA-N -2 3 377.470 2.173 20 0 GEADHL O=C(CCCC1CCCC1)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822954744 599620176 /nfs/dbraw/zinc/62/01/76/599620176.db2.gz BKEJFHBTOBWGIF-UHFFFAOYSA-N -2 3 377.470 2.173 20 0 GEADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000819865768 599620630 /nfs/dbraw/zinc/62/06/30/599620630.db2.gz HKGISRTZOWGFQY-SNVBAGLBSA-N -2 3 391.840 2.129 20 0 GEADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000819865768 599620631 /nfs/dbraw/zinc/62/06/31/599620631.db2.gz HKGISRTZOWGFQY-SNVBAGLBSA-N -2 3 391.840 2.129 20 0 GEADHL CC(C)(C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)N1CCc2ccccc2C1 ZINC000519552255 599769792 /nfs/dbraw/zinc/76/97/92/599769792.db2.gz ZJOLJJLHLAEBQS-UHFFFAOYSA-N -2 3 378.450 2.093 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc(N3CCCCC3)cc2)o1 ZINC000740176708 599771594 /nfs/dbraw/zinc/77/15/94/599771594.db2.gz RRNAXLTWVYACAD-UHFFFAOYSA-N -2 3 378.450 2.489 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccc3c(c2)OCCO3)C2CC2)o1 ZINC000645956327 599773378 /nfs/dbraw/zinc/77/33/78/599773378.db2.gz PRZSNCGBKICKEU-INIZCTEOSA-N -2 3 379.390 2.179 20 0 GEADHL C[C@H](CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C(=O)[O-] ZINC000485934339 599779296 /nfs/dbraw/zinc/77/92/96/599779296.db2.gz RHJQJPRHMCBBAP-LLVKDONJSA-N -2 3 380.397 2.077 20 0 GEADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000826249466 607402507 /nfs/dbraw/zinc/40/25/07/607402507.db2.gz DYYWNTNVJUNLHN-UHFFFAOYSA-N -2 3 391.840 2.088 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000826249466 607402508 /nfs/dbraw/zinc/40/25/08/607402508.db2.gz DYYWNTNVJUNLHN-UHFFFAOYSA-N -2 3 391.840 2.088 20 0 GEADHL O=C([O-])c1sc2ccccc2c1CNC(=O)CNC(=O)c1ccc([O-])cc1 ZINC000739298645 599881988 /nfs/dbraw/zinc/88/19/88/599881988.db2.gz XKYUXZQVJRRZOW-UHFFFAOYSA-N -2 3 384.413 2.351 20 0 GEADHL O=C([O-])c1ccc(CCC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000740122518 600106058 /nfs/dbraw/zinc/10/60/58/600106058.db2.gz QUFNRICIDYTYEB-UHFFFAOYSA-N -2 3 382.416 2.008 20 0 GEADHL CC[C@]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C)(C(=O)OC)c1ccccc1 ZINC000736920549 600135281 /nfs/dbraw/zinc/13/52/81/600135281.db2.gz OUMMFQZJLHBRLQ-LJQANCHMSA-N -2 3 391.445 2.450 20 0 GEADHL CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCC[C@@H](C(=O)[O-])C3)nc(=O)c2c1C ZINC000737157013 600140460 /nfs/dbraw/zinc/14/04/60/600140460.db2.gz QKEBQTJYHBXAFD-GHMZBOCLSA-N -2 3 393.465 2.327 20 0 GEADHL C[C@H](CC(=O)Nc1ccc(C(=O)[O-])cc1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000736549075 600173637 /nfs/dbraw/zinc/17/36/37/600173637.db2.gz ROFASBGQQNZGGA-SNVBAGLBSA-N -2 3 397.840 2.129 20 0 GEADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)cc1 ZINC000739825671 600179593 /nfs/dbraw/zinc/17/95/93/600179593.db2.gz DJBQISGHXPGWJI-UHFFFAOYSA-N -2 3 391.380 2.276 20 0 GEADHL CC(C)c1nc(C(=O)[N-]c2n[nH]c(CC(=O)[O-])n2)nn1-c1ccccc1Cl ZINC000736524915 600183323 /nfs/dbraw/zinc/18/33/23/600183323.db2.gz KVBIBQHAFOJLPQ-UHFFFAOYSA-N -2 3 389.803 2.042 20 0 GEADHL O=C([O-])c1cccc(CS(=O)(=O)[N-]CC(=O)OCc2ccccc2Cl)c1 ZINC000739310155 600234554 /nfs/dbraw/zinc/23/45/54/600234554.db2.gz XXHAYPFCSGGVSN-UHFFFAOYSA-N -2 3 397.836 2.201 20 0 GEADHL CC(C)(C)OC(=O)NCC1([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CCCC1 ZINC000736283398 600345332 /nfs/dbraw/zinc/34/53/32/600345332.db2.gz KJHCRUIKQRLSPM-UHFFFAOYSA-N -2 3 388.442 2.094 20 0 GEADHL C[C@@H]1COCCN1c1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000265602097 600396060 /nfs/dbraw/zinc/39/60/60/600396060.db2.gz DTAWUKBCLRPFNQ-CYBMUJFWSA-N -2 3 376.434 2.411 20 0 GEADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]CCc2ccc(NC(=O)[O-])cc2)c1 ZINC000737691608 600446935 /nfs/dbraw/zinc/44/69/35/600446935.db2.gz QFEPSNNNRGASPE-UHFFFAOYSA-N -2 3 396.396 2.223 20 0 GEADHL O=C([O-])c1ccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)cc1Cl ZINC000739420509 600511271 /nfs/dbraw/zinc/51/12/71/600511271.db2.gz UYXJAJDBHBZRTH-UHFFFAOYSA-N -2 3 377.784 2.295 20 0 GEADHL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)c(F)c1 ZINC000737698782 600546056 /nfs/dbraw/zinc/54/60/56/600546056.db2.gz BTEKXYXESXNRCS-UHFFFAOYSA-N -2 3 383.353 2.120 20 0 GEADHL CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c(F)cc1F ZINC000736160861 600628285 /nfs/dbraw/zinc/62/82/85/600628285.db2.gz MDQIBYWXEDXABX-UHFFFAOYSA-N -2 3 384.360 2.351 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccco2)c(F)cc1Br ZINC000740088423 600632066 /nfs/dbraw/zinc/63/20/66/600632066.db2.gz WCDMOLURNCORND-UHFFFAOYSA-N -2 3 378.175 2.358 20 0 GEADHL COC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccsc2C(=O)[O-])cc1[O-] ZINC000831209682 600730197 /nfs/dbraw/zinc/73/01/97/600730197.db2.gz GQXLFSRYNQIIEZ-UHFFFAOYSA-N -2 3 394.361 2.126 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCOC3=O)c2)cc1C(=O)[O-] ZINC000055609586 600811440 /nfs/dbraw/zinc/81/14/40/600811440.db2.gz PSIIAMBCKMUDSK-UHFFFAOYSA-N -2 3 390.417 2.446 20 0 GEADHL O=C([O-])C[C@@H](NC(=O)CNC(=O)c1ccc([O-])cc1)c1cccc(Cl)c1 ZINC000833197653 600815759 /nfs/dbraw/zinc/81/57/59/600815759.db2.gz MBJRYZFCYFACQG-OAHLLOKOSA-N -2 3 376.796 2.108 20 0 GEADHL C[C@@H](OC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-])C(=O)NCC(=O)[O-] ZINC000827844619 600868012 /nfs/dbraw/zinc/86/80/12/600868012.db2.gz RWAIBQRAHKUOIF-SNVBAGLBSA-N -2 3 377.780 2.459 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCSC2)c(F)cc1Br ZINC000833303213 601218793 /nfs/dbraw/zinc/21/87/93/601218793.db2.gz MYIVKUBUVZLOJF-SSDOTTSWSA-N -2 3 398.275 2.460 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@H](C)CCc2ccc3c(c2)OCO3)cc1C(=O)[O-] ZINC000833029195 601219791 /nfs/dbraw/zinc/21/97/91/601219791.db2.gz ZEPHJIYFZIKHMB-SNVBAGLBSA-N -2 3 381.406 2.315 20 0 GEADHL COc1cccc(N2CCC[C@H]([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)o3)C2)c1 ZINC000832563400 601222038 /nfs/dbraw/zinc/22/20/38/601222038.db2.gz ZWKUONPYQPFKDJ-ZDUSSCGKSA-N -2 3 394.449 2.242 20 0 GEADHL COc1cccc(N2CCC[C@@H]([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)o3)C2)c1 ZINC000832563399 601222040 /nfs/dbraw/zinc/22/20/40/601222040.db2.gz ZWKUONPYQPFKDJ-CYBMUJFWSA-N -2 3 394.449 2.242 20 0 GEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000274932498 601224661 /nfs/dbraw/zinc/22/46/61/601224661.db2.gz CPUUUUFSZKBEAR-YGRLFVJLSA-N -2 3 383.447 2.275 20 0 GEADHL Cc1oc(S(=O)(=O)[N-]C2(c3noc(C4CC4)n3)CCCC2)cc1C(=O)[O-] ZINC000567231484 601227564 /nfs/dbraw/zinc/22/75/64/601227564.db2.gz AWVZWITURIFMPW-UHFFFAOYSA-N -2 3 381.410 2.294 20 0 GEADHL O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1 ZINC000504694532 601232721 /nfs/dbraw/zinc/23/27/21/601232721.db2.gz IWYOGJJHAQXJMM-UHFFFAOYSA-N -2 3 388.401 2.182 20 0 GEADHL CCOC(=O)C1CCC([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC000829832752 601233958 /nfs/dbraw/zinc/23/39/58/601233958.db2.gz PZQKTJVXRMAMQH-UHFFFAOYSA-N -2 3 391.392 2.063 20 0 GEADHL COC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000831650554 601240411 /nfs/dbraw/zinc/24/04/11/601240411.db2.gz MRQIEMWIMOCBQW-LBPRGKRZSA-N -2 3 385.388 2.199 20 0 GEADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)c(C)o1 ZINC000262771625 601283288 /nfs/dbraw/zinc/28/32/88/601283288.db2.gz MLMUJNLHCHENTL-UHFFFAOYSA-N -2 3 398.462 2.066 20 0 GEADHL Cn1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1=O ZINC000755256490 601331515 /nfs/dbraw/zinc/33/15/15/601331515.db2.gz IKRWETUATLDQLY-UHFFFAOYSA-N -2 3 377.205 2.191 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)cc1C(=O)[O-] ZINC000438710540 601334485 /nfs/dbraw/zinc/33/44/85/601334485.db2.gz BAZMCRVJCARZNG-UHFFFAOYSA-N -3 3 383.353 2.097 20 0 GEADHL C[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)OC/C=C(\C)C(=O)[O-])c1Cl ZINC000831038275 601356412 /nfs/dbraw/zinc/35/64/12/601356412.db2.gz LAPQUMNOIWVCCE-FNORWQNLSA-N -2 3 382.221 2.089 20 0 GEADHL C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1)c1nc(Cc2ccccc2)no1 ZINC000827756327 601401051 /nfs/dbraw/zinc/40/10/51/601401051.db2.gz ZCCWHDUEARBSJA-LBPRGKRZSA-N -2 3 387.417 2.398 20 0 GEADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)ccc1F ZINC000831029410 601678475 /nfs/dbraw/zinc/67/84/75/601678475.db2.gz QYNCLGWOYPFNRS-UHFFFAOYSA-N -2 3 381.385 2.100 20 0 GEADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000832992983 601816701 /nfs/dbraw/zinc/81/67/01/601816701.db2.gz ICBWQDHLQZVPLR-UHFFFAOYSA-N -2 3 398.463 2.176 20 0 GEADHL CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1C ZINC000824000034 607533139 /nfs/dbraw/zinc/53/31/39/607533139.db2.gz RKSGIFGDVOMLLY-UHFFFAOYSA-N -2 3 386.437 2.243 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)c1-c1nnn[n-]1 ZINC000826303699 607534197 /nfs/dbraw/zinc/53/41/97/607534197.db2.gz AQBCSAUCOHBBPW-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)c1-c1nn[n-]n1 ZINC000826303699 607534199 /nfs/dbraw/zinc/53/41/99/607534199.db2.gz AQBCSAUCOHBBPW-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL O=C([O-])N1CCC(C[N-]S(=O)(=O)c2cc(Br)ccc2F)CC1 ZINC000740496967 601987230 /nfs/dbraw/zinc/98/72/30/601987230.db2.gz RHPSIBQZRRVIMH-UHFFFAOYSA-N -2 3 395.250 2.257 20 0 GEADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(CC(=O)[O-])c2)ccc1F ZINC000737640974 602070333 /nfs/dbraw/zinc/07/03/33/602070333.db2.gz MOAMEIMHMGMVAW-UHFFFAOYSA-N -2 3 394.424 2.392 20 0 GEADHL CCCCOCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000169103681 602140249 /nfs/dbraw/zinc/14/02/49/602140249.db2.gz JXODTHGCGBZSQX-UHFFFAOYSA-N -2 3 384.248 2.225 20 0 GEADHL CC(C)COCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000230951514 602141537 /nfs/dbraw/zinc/14/15/37/602141537.db2.gz VRKQGSLJFFUPBI-UHFFFAOYSA-N -2 3 384.248 2.081 20 0 GEADHL O=C([O-])NCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000739977151 602220781 /nfs/dbraw/zinc/22/07/81/602220781.db2.gz KPVBNFBJSUFGLP-UHFFFAOYSA-N -2 3 382.369 2.051 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)ccc1OCC(=O)[O-] ZINC000533165757 602322352 /nfs/dbraw/zinc/32/23/52/602322352.db2.gz SDCCRDWNFVFRJB-UHFFFAOYSA-N -3 3 383.353 2.097 20 0 GEADHL CC(C)c1ccc([C@H](CNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)NC(=O)[O-])cc1 ZINC000738883196 602574226 /nfs/dbraw/zinc/57/42/26/602574226.db2.gz PACUWSMKVQKYDG-KRWDZBQOSA-N -2 3 395.415 2.432 20 0 GEADHL O=C([O-])NCc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000740673846 602593564 /nfs/dbraw/zinc/59/35/64/602593564.db2.gz HWXQABKYCUWJOU-MRXNPFEDSA-N -2 3 383.404 2.403 20 0 GEADHL O=C([O-])Nc1ccc(C(=O)NCCN2CCN(c3ccccc3)CC2)c([O-])c1 ZINC000740699917 602848159 /nfs/dbraw/zinc/84/81/59/602848159.db2.gz XUUQTGBDYPSDLQ-UHFFFAOYSA-N -2 3 384.436 2.034 20 0 GEADHL CN1CCN(Cc2cccc(NC(=O)c3ccc(NC(=O)[O-])cc3[O-])c2)CC1 ZINC000739736937 602852279 /nfs/dbraw/zinc/85/22/79/602852279.db2.gz SOPJQOOHXIBJDA-UHFFFAOYSA-N -2 3 384.436 2.482 20 0 GEADHL C[C@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823702414 602886594 /nfs/dbraw/zinc/88/65/94/602886594.db2.gz KPVSWUUKYYWBJJ-BLLLJJGKSA-N -2 3 380.408 2.128 20 0 GEADHL C[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823702414 602886597 /nfs/dbraw/zinc/88/65/97/602886597.db2.gz KPVSWUUKYYWBJJ-BLLLJJGKSA-N -2 3 380.408 2.128 20 0 GEADHL CCN(CCC[N-]S(=O)(=O)c1sc(C)cc1Br)C(=O)[O-] ZINC000827130056 603106696 /nfs/dbraw/zinc/10/66/96/603106696.db2.gz QDADLTMPNGRRLN-UHFFFAOYSA-N -2 3 385.305 2.487 20 0 GEADHL Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H](NC(=O)[O-])C(C)C)s1 ZINC000829899671 603119093 /nfs/dbraw/zinc/11/90/93/603119093.db2.gz KIPIWVGFFMUARV-VIFPVBQESA-N -2 3 385.305 2.390 20 0 GEADHL CN(Cc1cccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)c1)C(=O)[O-] ZINC000739711464 603356740 /nfs/dbraw/zinc/35/67/40/603356740.db2.gz BBQNDTQBRSVETA-UHFFFAOYSA-N -2 3 386.408 2.054 20 0 GEADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3[C@H](C)OC(C)(C)N3C(=O)[O-])cc2)n1 ZINC000829893293 603695275 /nfs/dbraw/zinc/69/52/75/603695275.db2.gz FLOKLJQVNAKULP-NHYWBVRUSA-N -2 3 386.408 2.187 20 0 GEADHL C[C@H](CC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)NC(=O)[O-] ZINC000824565115 603908265 /nfs/dbraw/zinc/90/82/65/603908265.db2.gz LNHSQFWPWHMOQQ-SNVBAGLBSA-N -2 3 383.832 2.269 20 0 GEADHL C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Br)cc2F)CCO1 ZINC000833597774 604704970 /nfs/dbraw/zinc/70/49/70/604704970.db2.gz MOLJAUZEWICZMG-SFYZADRCSA-N -2 3 396.234 2.132 20 0 GEADHL CC(C)(O)COc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])cc1 ZINC000833463737 604744716 /nfs/dbraw/zinc/74/47/16/604744716.db2.gz WWFYJICQDPWMQQ-UHFFFAOYSA-N -2 3 383.397 2.474 20 0 GEADHL O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)Nc3cccc(Cl)c3[O-])cc2)[n-]1 ZINC000833776320 604799608 /nfs/dbraw/zinc/79/96/08/604799608.db2.gz UBWHQBHLKXMZSC-UHFFFAOYSA-N -3 3 387.779 2.404 20 0 GEADHL CNC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c(Cl)c1 ZINC000833699957 605008296 /nfs/dbraw/zinc/00/82/96/605008296.db2.gz FFUCNBIPZRBSJP-UHFFFAOYSA-N -2 3 386.788 2.338 20 0 GEADHL CC(C)[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000572400213 605015245 /nfs/dbraw/zinc/01/52/45/605015245.db2.gz WDPKHJAXUIXGPE-CQSZACIVSA-N -2 3 398.462 2.288 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)cc1CC(=O)[O-] ZINC000833734657 605042384 /nfs/dbraw/zinc/04/23/84/605042384.db2.gz RMISCRQTAGAGQP-UHFFFAOYSA-N -3 3 398.368 2.352 20 0 GEADHL C[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)[C@@H](O)c1cccc(F)c1 ZINC000833522513 605043915 /nfs/dbraw/zinc/04/39/15/605043915.db2.gz BIHVKZRDXDWORV-VXJOIVPMSA-N -2 3 389.351 2.203 20 0 GEADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000547591939 605046809 /nfs/dbraw/zinc/04/68/09/605046809.db2.gz JRPGMYKKKVSAKM-JSGCOSHPSA-N -2 3 387.429 2.314 20 0 GEADHL CC(C)C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(=O)OCc1ccccc1 ZINC000833491240 605203845 /nfs/dbraw/zinc/20/38/45/605203845.db2.gz OVGAFUVTYVYOKL-HNNXBMFYSA-N -2 3 395.433 2.414 20 0 GEADHL O=C([O-])c1ccccc1CS(=O)(=O)[N-]CC(=O)OCc1ccc(Cl)cc1 ZINC000833765041 605425625 /nfs/dbraw/zinc/42/56/25/605425625.db2.gz UFKREYFAYOENOR-UHFFFAOYSA-N -2 3 397.836 2.201 20 0 GEADHL COc1cc(C(=O)N2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)cc(OC)c1[O-] ZINC000833885656 605909335 /nfs/dbraw/zinc/90/93/35/605909335.db2.gz LORBVVGOJYZEDP-TZMCWYRMSA-N -2 3 378.425 2.404 20 0 GEADHL O=C([O-])N1CCC2(C[C@H]2C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)CC1 ZINC000834058112 605934723 /nfs/dbraw/zinc/93/47/23/605934723.db2.gz KMPOAYQCPBSSLP-VIFPVBQESA-N -2 3 377.351 2.469 20 0 GEADHL O=C([O-])N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000834250256 605953172 /nfs/dbraw/zinc/95/31/72/605953172.db2.gz CXEZXGRUCQQELI-INIZCTEOSA-N -2 3 391.391 2.165 20 0 GEADHL O=C([O-])N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000834250256 605953174 /nfs/dbraw/zinc/95/31/74/605953174.db2.gz CXEZXGRUCQQELI-INIZCTEOSA-N -2 3 391.391 2.165 20 0 GEADHL COc1ncc(C)cc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000821920701 606163375 /nfs/dbraw/zinc/16/33/75/606163375.db2.gz WWBZEKKJAUQVRX-UHFFFAOYSA-N -2 3 380.817 2.033 20 0 GEADHL COc1ncc(C)cc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000821920701 606163377 /nfs/dbraw/zinc/16/33/77/606163377.db2.gz WWBZEKKJAUQVRX-UHFFFAOYSA-N -2 3 380.817 2.033 20 0 GEADHL CCCCCC(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821042756 606612414 /nfs/dbraw/zinc/61/24/14/606612414.db2.gz HFDWQOYXBCLSHR-UHFFFAOYSA-N -2 3 379.486 2.419 20 0 GEADHL CCCCCC(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821042756 606612415 /nfs/dbraw/zinc/61/24/15/606612415.db2.gz HFDWQOYXBCLSHR-UHFFFAOYSA-N -2 3 379.486 2.419 20 0 GEADHL Cc1cc(Br)ncc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822161044 606637211 /nfs/dbraw/zinc/63/72/11/606637211.db2.gz NULPFWZLASGORY-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL Cc1ccncc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822379599 606637295 /nfs/dbraw/zinc/63/72/95/606637295.db2.gz QNDNONVIKNNHGS-UHFFFAOYSA-N -2 3 384.343 2.390 20 0 GEADHL Cc1ccncc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822379599 606637296 /nfs/dbraw/zinc/63/72/96/606637296.db2.gz QNDNONVIKNNHGS-UHFFFAOYSA-N -2 3 384.343 2.390 20 0 GEADHL O=S(=O)([N-]c1cc(-c2ccccc2)[nH]n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823583524 606656101 /nfs/dbraw/zinc/65/61/01/606656101.db2.gz SBJUSIPRJXYWLY-UHFFFAOYSA-N -2 3 385.384 2.197 20 0 GEADHL O=S(=O)([N-]c1cc(-c2ccccc2)[nH]n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823583524 606656102 /nfs/dbraw/zinc/65/61/02/606656102.db2.gz SBJUSIPRJXYWLY-UHFFFAOYSA-N -2 3 385.384 2.197 20 0 GEADHL O=C([N-]c1nnc(-c2ccccn2)s1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823383293 606673121 /nfs/dbraw/zinc/67/31/21/606673121.db2.gz PCINFWDICWKUAX-UHFFFAOYSA-N -2 3 386.347 2.311 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2-c2nn[n-]n2)cnc1Cl ZINC000822211907 606751226 /nfs/dbraw/zinc/75/12/26/606751226.db2.gz SSFKEHHNUUBNET-UHFFFAOYSA-N -2 3 393.860 2.090 20 0 GEADHL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000821476922 606764992 /nfs/dbraw/zinc/76/49/92/606764992.db2.gz UXYQHWLPJLVNCG-UHFFFAOYSA-N -3 3 391.384 2.067 20 0 GEADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2cccc3cnccc32)c1 ZINC000821589407 606820426 /nfs/dbraw/zinc/82/04/26/606820426.db2.gz MFVGJRFLFUQVPW-UHFFFAOYSA-N -2 3 395.448 2.282 20 0 GEADHL O=S(=O)([N-]c1ccc(F)c(F)c1F)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823589136 606865502 /nfs/dbraw/zinc/86/55/02/606865502.db2.gz OXEWYLJGJNDLDF-UHFFFAOYSA-N -2 3 391.281 2.363 20 0 GEADHL O=S(=O)([N-]c1ccc(F)c(F)c1F)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823589136 606865504 /nfs/dbraw/zinc/86/55/04/606865504.db2.gz OXEWYLJGJNDLDF-UHFFFAOYSA-N -2 3 391.281 2.363 20 0 GEADHL C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)o1 ZINC000820675395 606886304 /nfs/dbraw/zinc/88/63/04/606886304.db2.gz IQCKPKOXUYQYMS-GZMMTYOYSA-N -2 3 395.391 2.340 20 0 GEADHL CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820914916 606890475 /nfs/dbraw/zinc/89/04/75/606890475.db2.gz RXMZFHMVQAFJTF-ZDUSSCGKSA-N -2 3 393.419 2.445 20 0 GEADHL O=S(=O)([N-]C1(c2ccc(F)cc2)CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823566649 606890841 /nfs/dbraw/zinc/89/08/41/606890841.db2.gz JYORQZWMOKVULD-UHFFFAOYSA-N -2 3 395.366 2.252 20 0 GEADHL CC(C)(C)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000819958424 606916420 /nfs/dbraw/zinc/91/64/20/606916420.db2.gz KMGZKZACDXLGOZ-UHFFFAOYSA-N -2 3 391.478 2.344 20 0 GEADHL CC(C)(C)c1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000819958424 606916422 /nfs/dbraw/zinc/91/64/22/606916422.db2.gz KMGZKZACDXLGOZ-UHFFFAOYSA-N -2 3 391.478 2.344 20 0 GEADHL O=S(=O)([N-]c1ccc(F)nc1)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000823589397 606981237 /nfs/dbraw/zinc/98/12/37/606981237.db2.gz XZXPAXISCKYSOZ-UHFFFAOYSA-N -2 3 388.306 2.220 20 0 GEADHL O=S(=O)([N-]c1ccc(F)nc1)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000823589397 606981239 /nfs/dbraw/zinc/98/12/39/606981239.db2.gz XZXPAXISCKYSOZ-UHFFFAOYSA-N -2 3 388.306 2.220 20 0 GEADHL COc1ccc(O)c([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000821839282 607035257 /nfs/dbraw/zinc/03/52/57/607035257.db2.gz SVAKRCWTJPQSKG-UHFFFAOYSA-N -2 3 381.801 2.035 20 0 GEADHL COc1ccc(O)c([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000821839282 607035259 /nfs/dbraw/zinc/03/52/59/607035259.db2.gz SVAKRCWTJPQSKG-UHFFFAOYSA-N -2 3 381.801 2.035 20 0 GEADHL COc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c(C)n1 ZINC000821838829 607111231 /nfs/dbraw/zinc/11/12/31/607111231.db2.gz QDFQYESTLNBOPH-UHFFFAOYSA-N -2 3 380.817 2.033 20 0 GEADHL COc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c(C)n1 ZINC000821838829 607111232 /nfs/dbraw/zinc/11/12/32/607111232.db2.gz QDFQYESTLNBOPH-UHFFFAOYSA-N -2 3 380.817 2.033 20 0 GEADHL O=C([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000823391946 607122758 /nfs/dbraw/zinc/12/27/58/607122758.db2.gz JHYSYHAFGDRIDB-UHFFFAOYSA-N -2 3 379.785 2.019 20 0 GEADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822227748 607123066 /nfs/dbraw/zinc/12/30/66/607123066.db2.gz UNDHDQNDQRAVMS-UHFFFAOYSA-N -2 3 393.812 2.328 20 0 GEADHL CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)n[nH]1 ZINC000821016466 607151922 /nfs/dbraw/zinc/15/19/22/607151922.db2.gz WXVMSSBHSYFNRH-SECBINFHSA-N -2 3 379.421 2.433 20 0 GEADHL CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)n[nH]1 ZINC000821016466 607151923 /nfs/dbraw/zinc/15/19/23/607151923.db2.gz WXVMSSBHSYFNRH-SECBINFHSA-N -2 3 379.421 2.433 20 0 GEADHL CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cs2)s1 ZINC000824135164 607780184 /nfs/dbraw/zinc/78/01/84/607780184.db2.gz BNPCUAFJPWZCSO-UHFFFAOYSA-N -2 3 397.507 2.406 20 0 GEADHL CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cs2)s1 ZINC000824135164 607780185 /nfs/dbraw/zinc/78/01/85/607780185.db2.gz BNPCUAFJPWZCSO-UHFFFAOYSA-N -2 3 397.507 2.406 20 0 GEADHL CC1(CC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CCCCC1 ZINC000824819083 607806367 /nfs/dbraw/zinc/80/63/67/607806367.db2.gz XJMLTSLXUIUYQN-UHFFFAOYSA-N -2 3 377.470 2.173 20 0 GEADHL CC1(CC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCCCC1 ZINC000824819083 607806368 /nfs/dbraw/zinc/80/63/68/607806368.db2.gz XJMLTSLXUIUYQN-UHFFFAOYSA-N -2 3 377.470 2.173 20 0 GEADHL O=C([N-]S(=O)(=O)CC1CCC1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000826449796 607860951 /nfs/dbraw/zinc/86/09/51/607860951.db2.gz KEFDRVDHSVZXFW-UHFFFAOYSA-N -2 3 397.460 2.393 20 0 GEADHL O=C([N-]S(=O)(=O)CC1CCC1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000826449796 607860952 /nfs/dbraw/zinc/86/09/52/607860952.db2.gz KEFDRVDHSVZXFW-UHFFFAOYSA-N -2 3 397.460 2.393 20 0 GEADHL CCc1c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)cnn1CC(C)C ZINC000825694477 607933275 /nfs/dbraw/zinc/93/32/75/607933275.db2.gz QQUCUECOLUAEQX-UHFFFAOYSA-N -2 3 389.485 2.391 20 0 GEADHL CCc1c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)cnn1CC(C)C ZINC000825694477 607933276 /nfs/dbraw/zinc/93/32/76/607933276.db2.gz QQUCUECOLUAEQX-UHFFFAOYSA-N -2 3 389.485 2.391 20 0 GEADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(-c2ccoc2)c1 ZINC000826450509 608039226 /nfs/dbraw/zinc/03/92/26/608039226.db2.gz PMAHSNZYTJXDLN-UHFFFAOYSA-N -2 3 395.400 2.245 20 0 GEADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(-c2ccoc2)c1 ZINC000826450509 608039227 /nfs/dbraw/zinc/03/92/27/608039227.db2.gz PMAHSNZYTJXDLN-UHFFFAOYSA-N -2 3 395.400 2.245 20 0 GEADHL O=S(=O)([N-]c1ccc(Cc2ccncc2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826492795 608101332 /nfs/dbraw/zinc/10/13/32/608101332.db2.gz DLVBTWXOXVFGIG-UHFFFAOYSA-N -2 3 393.432 2.048 20 0 GEADHL O=S(=O)([N-]c1ccc(Cc2ccncc2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826492795 608101333 /nfs/dbraw/zinc/10/13/33/608101333.db2.gz DLVBTWXOXVFGIG-UHFFFAOYSA-N -2 3 393.432 2.048 20 0 GEADHL CC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000825075282 608144594 /nfs/dbraw/zinc/14/45/94/608144594.db2.gz ODPMOORHAVIRAH-LBPRGKRZSA-N -2 3 385.449 2.392 20 0 GEADHL CC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000825075282 608144595 /nfs/dbraw/zinc/14/45/95/608144595.db2.gz ODPMOORHAVIRAH-LBPRGKRZSA-N -2 3 385.449 2.392 20 0 GEADHL CCCc1cc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)n(C)n1 ZINC000825348372 608220281 /nfs/dbraw/zinc/22/02/81/608220281.db2.gz HRTZJPPPHHVENN-UHFFFAOYSA-N -2 3 381.849 2.007 20 0 GEADHL CCCc1cc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)n(C)n1 ZINC000825348372 608220283 /nfs/dbraw/zinc/22/02/83/608220283.db2.gz HRTZJPPPHHVENN-UHFFFAOYSA-N -2 3 381.849 2.007 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc2n[nH]cc21 ZINC000826271317 608267760 /nfs/dbraw/zinc/26/77/60/608267760.db2.gz MVDQJTXYKFYCKY-UHFFFAOYSA-N -2 3 391.363 2.130 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc2n[nH]cc21 ZINC000826271317 608267762 /nfs/dbraw/zinc/26/77/62/608267762.db2.gz MVDQJTXYKFYCKY-UHFFFAOYSA-N -2 3 391.363 2.130 20 0 GEADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000826492379 608307765 /nfs/dbraw/zinc/30/77/65/608307765.db2.gz HRTLAFLHEDUWKW-UHFFFAOYSA-N -2 3 393.738 2.063 20 0 GEADHL Cn1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c(-c2ccccc2)n1 ZINC000826362421 608309350 /nfs/dbraw/zinc/30/93/50/608309350.db2.gz RPPOOVUTPNGQKM-UHFFFAOYSA-N -2 3 399.411 2.207 20 0 GEADHL Cn1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c(-c2ccccc2)n1 ZINC000826362421 608309352 /nfs/dbraw/zinc/30/93/52/608309352.db2.gz RPPOOVUTPNGQKM-UHFFFAOYSA-N -2 3 399.411 2.207 20 0 GEADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC(C)(C)C1 ZINC000824865050 609138745 /nfs/dbraw/zinc/13/87/45/609138745.db2.gz GWORSGDRTVTKLA-AAEUAGOBSA-N -2 3 377.470 2.134 20 0 GEADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC(C)(C)C1 ZINC000824865050 609138746 /nfs/dbraw/zinc/13/87/46/609138746.db2.gz GWORSGDRTVTKLA-AAEUAGOBSA-N -2 3 377.470 2.134 20 0 GEADHL O=S(=O)(CCC1CC1)[N-]c1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000826484502 609458171 /nfs/dbraw/zinc/45/81/71/609458171.db2.gz FWUAQKWEBYDXCD-UHFFFAOYSA-N -2 3 393.860 2.248 20 0 GEADHL O=S(=O)(CCC1CC1)[N-]c1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000826484502 609458173 /nfs/dbraw/zinc/45/81/73/609458173.db2.gz FWUAQKWEBYDXCD-UHFFFAOYSA-N -2 3 393.860 2.248 20 0 GEADHL COCCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1sccc1C ZINC000826162842 609469495 /nfs/dbraw/zinc/46/94/95/609469495.db2.gz UPRKHZIGTMQMNJ-UHFFFAOYSA-N -2 3 395.466 2.063 20 0 GEADHL COc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cc1OC ZINC000826210389 609523991 /nfs/dbraw/zinc/52/39/91/609523991.db2.gz PMOOPPKDZZICAG-UHFFFAOYSA-N -2 3 395.828 2.338 20 0 GEADHL COc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cc1OC ZINC000826210389 609523992 /nfs/dbraw/zinc/52/39/92/609523992.db2.gz PMOOPPKDZZICAG-UHFFFAOYSA-N -2 3 395.828 2.338 20 0 GEADHL O=S(=O)([N-]c1ccc2n[nH]cc2c1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826492993 609526833 /nfs/dbraw/zinc/52/68/33/609526833.db2.gz NXMLCSZPQMANGE-UHFFFAOYSA-N -2 3 375.801 2.197 20 0 GEADHL COc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1O ZINC000826217695 609530292 /nfs/dbraw/zinc/53/02/92/609530292.db2.gz YKRNDQBBGDXVJH-UHFFFAOYSA-N -2 3 381.801 2.035 20 0 GEADHL COc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1O ZINC000826217695 609530293 /nfs/dbraw/zinc/53/02/93/609530293.db2.gz YKRNDQBBGDXVJH-UHFFFAOYSA-N -2 3 381.801 2.035 20 0 GEADHL O=S(=O)([N-]c1ccc2c(c1)COC2)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826492890 609531436 /nfs/dbraw/zinc/53/14/36/609531436.db2.gz JYMQKSTWHIXDJR-UHFFFAOYSA-N -2 3 377.813 2.351 20 0 GEADHL O=S(=O)([N-]c1ccc2c(c1)COC2)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826492890 609531438 /nfs/dbraw/zinc/53/14/38/609531438.db2.gz JYMQKSTWHIXDJR-UHFFFAOYSA-N -2 3 377.813 2.351 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@H](C)C(C)(F)F)c(F)c1 ZINC000451069657 650083540 /nfs/dbraw/zinc/08/35/40/650083540.db2.gz MDAVBAFQVBGNJJ-SECBINFHSA-N -2 3 388.433 2.299 20 0 GEADHL COC(=O)Cc1nnc([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)[n-]1 ZINC000460539482 650443330 /nfs/dbraw/zinc/44/33/30/650443330.db2.gz OFCLVIYJNHWUHR-UHFFFAOYSA-N -2 3 399.643 2.281 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(C(=O)[O-])s2)cc1OC ZINC000531740495 650743662 /nfs/dbraw/zinc/74/36/62/650743662.db2.gz INEJWUYKBORCDO-UHFFFAOYSA-N -2 3 384.435 2.469 20 0 GEADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1Cl ZINC000060318245 642835672 /nfs/dbraw/zinc/83/56/72/642835672.db2.gz YQOURPRMIVFLDS-UHFFFAOYSA-N -3 3 385.781 2.302 20 0 GEADHL O=C([O-])c1csc(C[N-]S(=O)(=O)c2ccc(Br)s2)n1 ZINC000097658145 643097653 /nfs/dbraw/zinc/09/76/53/643097653.db2.gz FNBNQJKHCOSFRY-UHFFFAOYSA-N -2 3 383.270 2.144 20 0 GEADHL O=C([O-])c1csc(C[N-]S(=O)(=O)c2ccc(Br)cc2F)n1 ZINC000161819599 644221050 /nfs/dbraw/zinc/22/10/50/644221050.db2.gz WQOYOQZAGUSFAD-UHFFFAOYSA-N -2 3 395.231 2.221 20 0 GEADHL Cc1cc(Br)ccc1S(=O)(=O)[N-][N-]C(=O)NCc1ccccc1 ZINC000189132891 645133533 /nfs/dbraw/zinc/13/35/33/645133533.db2.gz OXRDNQQIECVRNH-UHFFFAOYSA-N -2 3 398.282 2.450 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-][N-]C(=O)NCc2ccccc2)c1Br ZINC000189128142 645133602 /nfs/dbraw/zinc/13/36/02/645133602.db2.gz MJMRPDZSVJSTJP-UHFFFAOYSA-N -2 3 398.282 2.450 20 0 GEADHL Cc1ccc(C(=O)[N-][N-]S(=O)(=O)c2cc(Br)c(F)cc2C)o1 ZINC000189307187 645135740 /nfs/dbraw/zinc/13/57/40/645135740.db2.gz OBFGQHTZNCBAOP-UHFFFAOYSA-N -2 3 391.218 2.421 20 0 GEADHL O=C([O-])[C@@H](Cc1c[nH]c2ncccc12)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000547546000 651030496 /nfs/dbraw/zinc/03/04/96/651030496.db2.gz WNUIRJHENKIOKU-SNVBAGLBSA-N -2 3 385.854 2.252 20 0 GEADHL CCCSC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000547595028 651037510 /nfs/dbraw/zinc/03/75/10/651037510.db2.gz IHINUABRTCJWEY-VIFPVBQESA-N -2 3 382.847 2.123 20 0 GEADHL O=C([O-])COc1ccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000547904675 651053819 /nfs/dbraw/zinc/05/38/19/651053819.db2.gz ZUYIVZZNFMVWNI-UHFFFAOYSA-N -2 3 387.816 2.464 20 0 GEADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@H](C(=O)[O-])C(C)C ZINC000547941693 651057865 /nfs/dbraw/zinc/05/78/65/651057865.db2.gz ZIOBSBXBMMOJIR-QMMMGPOBSA-N -2 3 398.250 2.232 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H]2C=C[C@H](C(=O)[O-])C2)c(Cl)cc1Cl ZINC000274934527 646335358 /nfs/dbraw/zinc/33/53/58/646335358.db2.gz CYKJVUFVRVNVCC-YUMQZZPRSA-N -2 3 394.232 2.088 20 0 GEADHL CSCC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000274992686 646340194 /nfs/dbraw/zinc/34/01/94/646340194.db2.gz ZICWZRJFRZJZSU-VIFPVBQESA-N -2 3 386.264 2.073 20 0 GEADHL O=C([O-])[C@@H]1C=C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000274993626 646340563 /nfs/dbraw/zinc/34/05/63/646340563.db2.gz KYWUMCCFEWAUMA-APPZFPTMSA-N -2 3 380.647 2.410 20 0 GEADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(C)(C)C ZINC000275022273 646342878 /nfs/dbraw/zinc/34/28/78/646342878.db2.gz SAHFEGRJJCWBKA-SNVBAGLBSA-N -2 3 375.418 2.028 20 0 GEADHL CCO[C@@H]1C[C@@]([N-]S(=O)(=O)c2cc(F)ccc2Cl)(C(=O)[O-])C1(C)C ZINC000275824039 646361324 /nfs/dbraw/zinc/36/13/24/646361324.db2.gz ZHRUGOBSQWYTNC-IUODEOHRSA-N -2 3 379.837 2.416 20 0 GEADHL COC(=O)c1sc(S(=O)(=O)[N-]CCC[C@H](C)C(=O)[O-])c(C)c1Cl ZINC000278682807 646538527 /nfs/dbraw/zinc/53/85/27/646538527.db2.gz LXKNCXPSDYTFGP-ZETCQYMHSA-N -2 3 383.875 2.276 20 0 GEADHL CSCC[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1F)C(=O)[O-] ZINC000281928235 646803611 /nfs/dbraw/zinc/80/36/11/646803611.db2.gz QVDHWHWAHCLRQB-MRVPVSSYSA-N -2 3 386.264 2.073 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])cc1Cl ZINC000424384619 648626137 /nfs/dbraw/zinc/62/61/37/648626137.db2.gz CEABQULONAYDBS-UHFFFAOYSA-N -2 3 380.825 2.217 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1ccccc1F ZINC000548195988 651067307 /nfs/dbraw/zinc/06/73/07/651067307.db2.gz KDKVWGCNOPOBKH-LLVKDONJSA-N -2 3 378.175 2.285 20 0 GEADHL CCC[C@H](O)[C@H]([N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)C(=O)[O-] ZINC000548262312 651074172 /nfs/dbraw/zinc/07/41/72/651074172.db2.gz FMAQIUAWBPXRAD-AAEUAGOBSA-N -2 3 375.830 2.287 20 0 GEADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)Oc1ccc(F)cc1 ZINC000548555455 651080090 /nfs/dbraw/zinc/08/00/90/651080090.db2.gz HDXKPTBZVSRWSG-JTQLQIEISA-N -2 3 379.818 2.351 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1c(F)cccc1F ZINC000548589183 651080795 /nfs/dbraw/zinc/08/07/95/651080795.db2.gz FXGOLFODWMPSDU-CYBMUJFWSA-N -2 3 381.278 2.486 20 0 GEADHL CO[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)CC(=O)[O-] ZINC000551999327 651137194 /nfs/dbraw/zinc/13/71/94/651137194.db2.gz VWDGGNININJEOW-MRVPVSSYSA-N -2 3 375.752 2.127 20 0 GEADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CC[C@H](C(=O)[O-])C2)c(F)cc1Br ZINC000561094881 651474239 /nfs/dbraw/zinc/47/42/39/651474239.db2.gz NZYDWQUVXVDNOG-DTWKUNHWSA-N -2 3 380.235 2.428 20 0 GEADHL CCOc1ccc(Cl)cc1CC[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000564326612 651561900 /nfs/dbraw/zinc/56/19/00/651561900.db2.gz KZUUHFOUKQODFE-UHFFFAOYSA-N -2 3 390.870 2.414 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])CC(C)(C)C)c(F)c1 ZINC000567144645 651618719 /nfs/dbraw/zinc/61/87/19/651618719.db2.gz XSLRXZGDJLDLAJ-LLVKDONJSA-N -2 3 375.418 2.170 20 0 GEADHL O=C([O-])c1nscc1S(=O)(=O)[N-]CCCCc1ccc(F)c(F)c1 ZINC000570713729 651786124 /nfs/dbraw/zinc/78/61/24/651786124.db2.gz WKTZAHMSZSHQMA-UHFFFAOYSA-N -2 3 376.406 2.421 20 0 GEADHL O=S(=O)([N-]CCN=c1[n-]c(C2CCC2)no1)c1cccc(Cl)c1Cl ZINC000649366109 651824093 /nfs/dbraw/zinc/82/40/93/651824093.db2.gz AMIWFTXFNILSPN-UHFFFAOYSA-N -2 3 391.280 2.456 20 0 GEADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](C)CCC[C@H](C)C(=O)[O-] ZINC000572575356 651900866 /nfs/dbraw/zinc/90/08/66/651900866.db2.gz RUQNHIAPTIQRMD-QWRGUYRKSA-N -2 3 375.418 2.170 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])Cc2cc(F)c(F)cc2F)o1 ZINC000574163154 652005131 /nfs/dbraw/zinc/00/51/31/652005131.db2.gz XFSMUIHXZWDXHI-JTQLQIEISA-N -2 3 377.340 2.370 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])Cc2cc(F)c(F)cc2F)o1 ZINC000574163160 652005299 /nfs/dbraw/zinc/00/52/99/652005299.db2.gz XFSMUIHXZWDXHI-SNVBAGLBSA-N -2 3 377.340 2.370 20 0 GEADHL COc1cc(C)[n-]c(=N[N-]S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)n1 ZINC000747616195 652170462 /nfs/dbraw/zinc/17/04/62/652170462.db2.gz BRBZSLBFDSGPAE-UHFFFAOYSA-N -2 3 393.252 2.414 20 0 GEADHL CCc1ncc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(OC)c(Cl)c2)s1 ZINC000578067613 652240908 /nfs/dbraw/zinc/24/09/08/652240908.db2.gz XGTXSMWCQNXVIL-CYBMUJFWSA-N -2 3 390.870 2.472 20 0 GEADHL Cc1c(Br)ccc(C(=O)[O-])c1[N-]S(=O)(=O)[C@@H]1CCO[C@H]1C ZINC000578240835 652255905 /nfs/dbraw/zinc/25/59/05/652255905.db2.gz JEACYQPADFYNBL-GZMMTYOYSA-N -2 3 378.244 2.375 20 0 GEADHL C[C@@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC[C@@H]1C(=O)[O-] ZINC000659224605 652349816 /nfs/dbraw/zinc/34/98/16/652349816.db2.gz TWGAYDUMTXIWAC-KOLCDFICSA-N -2 3 393.237 2.473 20 0 GEADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(F)F ZINC000580123341 652367707 /nfs/dbraw/zinc/36/77/07/652367707.db2.gz KKFAJZAVDQFFPU-ZCFIWIBFSA-N -2 3 379.278 2.479 20 0 GEADHL Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c(=O)[n-]1 ZINC000756009852 652484671 /nfs/dbraw/zinc/48/46/71/652484671.db2.gz MTPBIHIKSUMFQQ-UHFFFAOYSA-N -2 3 390.248 2.153 20 0 GEADHL C[C@@H]1CCCc2nc(S(=O)(=O)[N-]C[C@H](CCC(=O)[O-])C(F)(F)F)cn21 ZINC000663293932 652490125 /nfs/dbraw/zinc/49/01/25/652490125.db2.gz MULJHSBBGXIEJB-ZJUUUORDSA-N -2 3 383.392 2.102 20 0 GEADHL O=C([O-])CCN(C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CC1 ZINC000675969755 652948737 /nfs/dbraw/zinc/94/87/37/652948737.db2.gz WWUQAAZQUGZGSF-UHFFFAOYSA-N -2 3 379.210 2.370 20 0 GEADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)c([O-])cc2F)ccc1F ZINC000805255104 653108548 /nfs/dbraw/zinc/10/85/48/653108548.db2.gz JLNFGKMVHODAOX-UHFFFAOYSA-N -2 3 376.768 2.484 20 0 GEADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H](CC1CC1)C(=O)[O-] ZINC000806639084 653171644 /nfs/dbraw/zinc/17/16/44/653171644.db2.gz OKPLRFDSKYQDBS-LLVKDONJSA-N -2 3 383.447 2.220 20 0 GEADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@H](C)CCC(=O)[O-] ZINC000776560888 653357897 /nfs/dbraw/zinc/35/78/97/653357897.db2.gz SOKMCCKFVTUNJG-SSDOTTSWSA-N -2 3 384.223 2.128 20 0 GEADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C ZINC000776570618 653359723 /nfs/dbraw/zinc/35/97/23/653359723.db2.gz DZYWMULFFMWFFH-SNVBAGLBSA-N -2 3 398.250 2.374 20 0 GEADHL CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC)C(=O)[O-] ZINC000776583829 653361261 /nfs/dbraw/zinc/36/12/61/653361261.db2.gz MPZVHMKPEYWPGF-UWVGGRQHSA-N -2 3 392.861 2.079 20 0 GEADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-][C@@H]2CCn3ccnc3C2)c1 ZINC000777950420 653413285 /nfs/dbraw/zinc/41/32/85/653413285.db2.gz QKZJBHSJFCMRTP-SECBINFHSA-N -2 3 390.248 2.181 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)C1CCC1 ZINC000837288669 653419709 /nfs/dbraw/zinc/41/97/09/653419709.db2.gz OZJSBWOMXONQCA-VIFPVBQESA-N -2 3 383.651 2.029 20 0 GEADHL CC[C@@H](CC[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)C(=O)[O-] ZINC000837293529 653423033 /nfs/dbraw/zinc/42/30/33/653423033.db2.gz XLSJQEFTVPJANG-ZETCQYMHSA-N -2 3 385.667 2.277 20 0 GEADHL O=C([O-])[C@@H](CC1CCC1)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000837295052 653424237 /nfs/dbraw/zinc/42/42/37/653424237.db2.gz ZIJVRJBQACPJIE-SNVBAGLBSA-N -2 3 397.678 2.419 20 0 GEADHL C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)NCc2ccc([O-])c(Cl)c2)C1 ZINC000876400279 653427915 /nfs/dbraw/zinc/42/79/15/653427915.db2.gz YALKSIPCKNJWOK-CQSZACIVSA-N -2 3 379.766 2.398 20 0 GEADHL CCC[C@H](C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)C(C)C ZINC000784899275 653700999 /nfs/dbraw/zinc/70/09/99/653700999.db2.gz VCUOTJWYHUYAEG-LBPRGKRZSA-N -2 3 394.490 2.074 20 0 GEADHL Cc1cc(S(=O)(=O)[N-][C@@H](COC(C)C)C(=O)[O-])c(F)cc1Br ZINC000863416845 653711216 /nfs/dbraw/zinc/71/12/16/653711216.db2.gz MPFCYPVIKMLCAR-NSHDSACASA-N -2 3 398.250 2.053 20 0 GEADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]CCCC2(O)CCC2)s1 ZINC000817573047 653714552 /nfs/dbraw/zinc/71/45/52/653714552.db2.gz JDWROLJJJCVALQ-UHFFFAOYSA-N -2 3 398.300 2.182 20 0 GEADHL CO[C@H](CC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)C(F)(F)F ZINC000787249780 653736042 /nfs/dbraw/zinc/73/60/42/653736042.db2.gz JGUJKCDIBOIKCD-SNVBAGLBSA-N -2 3 375.752 2.284 20 0 GEADHL CO[C@H](CC[N-]S(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1)C(F)(F)F ZINC000787250409 653736111 /nfs/dbraw/zinc/73/61/11/653736111.db2.gz VUOKZUJGFGKZEF-SECBINFHSA-N -2 3 393.742 2.423 20 0 GEADHL CCCC[C@H]([N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C)C(=O)[O-] ZINC000788438440 653756216 /nfs/dbraw/zinc/75/62/16/653756216.db2.gz JKHOEYCMIPGRAH-QMMMGPOBSA-N -2 3 383.875 2.418 20 0 GEADHL Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000788493017 653757654 /nfs/dbraw/zinc/75/76/54/653757654.db2.gz YOXUTISWKUZWSP-UHFFFAOYSA-N -2 3 393.849 2.355 20 0 GEADHL C[C@H]1SCC[C@H]1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000843286692 653782919 /nfs/dbraw/zinc/78/29/19/653782919.db2.gz ATFXZEKYQIBMFZ-IYSWYEEDSA-N -2 3 386.314 2.381 20 0 GEADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-]C1([C@H](C)C(=O)[O-])CC1 ZINC000844820976 653820465 /nfs/dbraw/zinc/82/04/65/653820465.db2.gz NPUHZCSOKFTUDP-SSDOTTSWSA-N -2 3 396.234 2.128 20 0 GEADHL CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)[C@@H]1OC ZINC000844898232 653827414 /nfs/dbraw/zinc/82/74/14/653827414.db2.gz YCYDCBVXTOLWLI-BREBYQMCSA-N -2 3 398.264 2.162 20 0 GEADHL C[C@@H](COCC1CC1)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000844900212 653828614 /nfs/dbraw/zinc/82/86/14/653828614.db2.gz KZLNAMXLVJHHMJ-ZETCQYMHSA-N -2 3 398.300 2.302 20 0 GEADHL CCn1nc(C)c(S(=O)(=O)[N-]c2cc(Cl)ccc2-c2nn[n-]n2)c1C ZINC000825807094 653941525 /nfs/dbraw/zinc/94/15/25/653941525.db2.gz MRXHSWDGIVZCCR-UHFFFAOYSA-N -2 3 381.849 2.154 20 0 GEADHL CS[C@H](C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)C(C)(C)C ZINC000826225347 653947846 /nfs/dbraw/zinc/94/78/46/653947846.db2.gz AAQUCKCDTMDBJA-LLVKDONJSA-N -2 3 391.469 2.201 20 0 GEADHL Cc1oc(C[N-]S(=O)(=O)c2c(Cl)nc3sccn32)cc1C(=O)[O-] ZINC000798410680 654061883 /nfs/dbraw/zinc/06/18/83/654061883.db2.gz GBIAREQEHWKOCL-UHFFFAOYSA-N -2 3 375.815 2.127 20 0 GEADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]CCOC2CCC2)s1 ZINC000871893095 654273657 /nfs/dbraw/zinc/27/36/57/654273657.db2.gz DQWVCBISZRCPSG-UHFFFAOYSA-N -2 3 384.273 2.056 20 0 GEADHL C[C@@]1(C(=O)[O-])C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCO1 ZINC000906010315 654401764 /nfs/dbraw/zinc/40/17/64/654401764.db2.gz NSHJGJXELSOTHG-RNCFNFMXSA-N -2 3 385.335 2.145 20 0 GEADHL O=C([O-])[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)[C@H]2C[C@H]21 ZINC000926603866 654577362 /nfs/dbraw/zinc/57/73/62/654577362.db2.gz KCVYCMLHBSVSSJ-JIOCBJNQSA-N -2 3 394.674 2.490 20 0 GEADHL O=C([O-])CC1CC(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000910813024 654711554 /nfs/dbraw/zinc/71/15/54/654711554.db2.gz ODDYTRQEBWJHLF-UHFFFAOYSA-N -2 3 379.210 2.274 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N-]S(C)(=O)=O)c2)c(F)c1 ZINC000171750412 531913210 /nfs/dbraw/zinc/91/32/10/531913210.db2.gz BNHFYDVQDUHXAV-UHFFFAOYSA-N -2 3 376.406 2.446 20 0 GEADHL Cc1c(Br)cccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000068216442 531902389 /nfs/dbraw/zinc/90/23/89/531902389.db2.gz FLCMDYJKQLMVIC-UHFFFAOYSA-N -2 3 395.234 2.442 20 0 GEADHL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000115730018 531958701 /nfs/dbraw/zinc/95/87/01/531958701.db2.gz ZNLUGCAAYIHZJQ-VHSXEESVSA-N -2 3 379.276 2.402 20 0 GEADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cc1)c1cccc(Br)c1 ZINC000123634576 532104133 /nfs/dbraw/zinc/10/41/33/532104133.db2.gz OTHZXPCWESRQIX-UHFFFAOYSA-N -2 3 380.227 2.430 20 0 GEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1cccc(Br)c1 ZINC000123634576 532104136 /nfs/dbraw/zinc/10/41/36/532104136.db2.gz OTHZXPCWESRQIX-UHFFFAOYSA-N -2 3 380.227 2.430 20 0 GEADHL COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)CCCC(=O)[O-] ZINC000131862415 532205342 /nfs/dbraw/zinc/20/53/42/532205342.db2.gz RUBGNRYXOJODNN-VIFPVBQESA-N -2 3 380.260 2.379 20 0 GEADHL COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C ZINC000136254071 532283600 /nfs/dbraw/zinc/28/36/00/532283600.db2.gz PBBDZJRFUYNOTH-JTQLQIEISA-N -2 3 380.260 2.235 20 0 GEADHL CC[N-]S(=O)(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1F ZINC000137261312 532289182 /nfs/dbraw/zinc/28/91/82/532289182.db2.gz XRLONBRENNGGER-UHFFFAOYSA-N -2 3 376.406 2.064 20 0 GEADHL Cc1cnc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Br)c2C)o1 ZINC000185037977 532336711 /nfs/dbraw/zinc/33/67/11/532336711.db2.gz WIKWEZYNLQRVFM-UHFFFAOYSA-N -2 3 389.227 2.231 20 0 GEADHL CO[C@@H](CS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-])C1CCOCC1 ZINC000647125330 532367902 /nfs/dbraw/zinc/36/79/02/532367902.db2.gz NBYWJBODOHOLPM-AWEZNQCLSA-N -2 3 377.846 2.222 20 0 GEADHL C[C@H]([C@@H]([N-]S(=O)(=O)c1ccc(Br)c(F)c1)C(=O)[O-])C1CC1 ZINC000558685396 532397421 /nfs/dbraw/zinc/39/74/21/532397421.db2.gz ZMBIKFZOLAGDBP-JVXZTZIISA-N -2 3 380.235 2.366 20 0 GEADHL CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@](C)(CCC(C)(C)C)C(=O)[O-])s1 ZINC000560076647 532412497 /nfs/dbraw/zinc/41/24/97/532412497.db2.gz RWMZJOQDIFJLDL-INIZCTEOSA-N -2 3 390.527 2.332 20 0 GEADHL CC(=O)NCc1ccc(S(=O)(=O)[N-][C@](C)(CCC(C)(C)C)C(=O)[O-])s1 ZINC000560076649 532413107 /nfs/dbraw/zinc/41/31/07/532413107.db2.gz RWMZJOQDIFJLDL-MRXNPFEDSA-N -2 3 390.527 2.332 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(C)(C)C(F)(F)F)cc1F ZINC000295176212 532414831 /nfs/dbraw/zinc/41/48/31/532414831.db2.gz HSUAXCSTIYFVPC-UHFFFAOYSA-N -2 3 392.396 2.207 20 0 GEADHL Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)s1 ZINC000427275211 532418627 /nfs/dbraw/zinc/41/86/27/532418627.db2.gz RUBPKUMGTFWADS-SECBINFHSA-N -2 3 393.487 2.002 20 0 GEADHL CCn1cnc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)c1 ZINC000681569054 532430686 /nfs/dbraw/zinc/43/06/86/532430686.db2.gz VXXULRLYNWDLGL-LBPRGKRZSA-N -2 3 377.344 2.026 20 0 GEADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H]2CCOC2)c1Cl ZINC000681566733 532430903 /nfs/dbraw/zinc/43/09/03/532430903.db2.gz NVLVUYOTNALBNN-SKDRFNHKSA-N -2 3 382.265 2.378 20 0 GEADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(=O)[O-])c1Cl ZINC000681577599 532431975 /nfs/dbraw/zinc/43/19/75/532431975.db2.gz DFFHMZZOJZRNND-MRVPVSSYSA-N -3 3 384.237 2.064 20 0 GEADHL C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-]c1cc(Br)c(F)cc1C(=O)[O-] ZINC000650420543 532445202 /nfs/dbraw/zinc/44/52/02/532445202.db2.gz AUKDYXDLBONQKX-KGFZYKRKSA-N -2 3 382.207 2.206 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@@H](CC2CC2)C(=O)[O-])cc1Cl ZINC000650431300 532446952 /nfs/dbraw/zinc/44/69/52/532446952.db2.gz NYVBCZRHZKBYPE-SNVBAGLBSA-N -2 3 392.836 2.217 20 0 GEADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)CC1CC1 ZINC000650430946 532447132 /nfs/dbraw/zinc/44/71/32/532447132.db2.gz BZKAMTZUMPDRIC-LLVKDONJSA-N -2 3 386.857 2.004 20 0 GEADHL Cc1nc(S(=O)(=O)[N-][C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)[O-])cn1C ZINC000562465714 532467298 /nfs/dbraw/zinc/46/72/98/532467298.db2.gz SOPOVSIMGWOKHJ-LBPRGKRZSA-N -2 3 392.264 2.010 20 0 GEADHL Cc1ncc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])Cc2cc(F)c(F)cc2F)s1 ZINC000562782321 532481586 /nfs/dbraw/zinc/48/15/86/532481586.db2.gz VNZOCIIEVYZTQU-SECBINFHSA-N -2 3 394.396 2.233 20 0 GEADHL O=C([O-])[C@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000629337603 532485634 /nfs/dbraw/zinc/48/56/34/532485634.db2.gz AIRZCTYGLUXHEK-JQWIXIFHSA-N -2 3 381.372 2.254 20 0 GEADHL O=C([O-])[C@@H]1CC[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000521175095 532507829 /nfs/dbraw/zinc/50/78/29/532507829.db2.gz OAJATVQHKLMWGA-SCZZXKLOSA-N -2 3 379.210 2.274 20 0 GEADHL O=C([O-])C1([N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)CCC1 ZINC000282976501 532510077 /nfs/dbraw/zinc/51/00/77/532510077.db2.gz XASUHVRXLSMPBB-LLVKDONJSA-N -2 3 389.857 2.041 20 0 GEADHL CC[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1 ZINC000431593725 532517404 /nfs/dbraw/zinc/51/74/04/532517404.db2.gz BGRFZLSOMHIINF-HAQNSBGRSA-N -2 3 378.491 2.444 20 0 GEADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000564918898 532537196 /nfs/dbraw/zinc/53/71/96/532537196.db2.gz NZGQBUNPKHSUHQ-BYCMXARLSA-N -2 3 379.459 2.462 20 0 GEADHL COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC(C)(C)C(=O)[O-] ZINC000526061489 532539676 /nfs/dbraw/zinc/53/96/76/532539676.db2.gz KDAASDXCYRNSRB-SNVBAGLBSA-N -2 3 379.862 2.143 20 0 GEADHL CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c1 ZINC000471134067 532543423 /nfs/dbraw/zinc/54/34/23/532543423.db2.gz SXJNDVMQRRSKJV-UHFFFAOYSA-N -2 3 387.410 2.118 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)c2ccccc2)s1 ZINC000594679421 532519499 /nfs/dbraw/zinc/51/94/99/532519499.db2.gz CJKXFAJZDIAOQD-HZMBPMFUSA-N -2 3 383.447 2.070 20 0 GEADHL O=C(C[N-]S(=O)(=O)c1ccccc1F)Nc1cc(F)cc(Cl)c1[O-] ZINC000564521938 532526711 /nfs/dbraw/zinc/52/67/11/532526711.db2.gz XLFDXDRDASJNFK-UHFFFAOYSA-N -2 3 376.768 2.241 20 0 GEADHL CCC[C@@H](CC)S(=O)(=O)[N-]c1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000565054762 532545214 /nfs/dbraw/zinc/54/52/14/532545214.db2.gz SPRNIBTZKFJKMF-CYBMUJFWSA-N -2 3 376.500 2.253 20 0 GEADHL CC[C@@H](CC[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C(=O)[O-] ZINC000296878378 532551165 /nfs/dbraw/zinc/55/11/65/532551165.db2.gz FGJFMHMUWRXTMF-VIFPVBQESA-N -2 3 380.825 2.217 20 0 GEADHL CCC([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)(C1CC1)C1CC1 ZINC000528488935 532565114 /nfs/dbraw/zinc/56/51/14/532565114.db2.gz JKZJYZBFOFXWCY-UHFFFAOYSA-N -2 3 390.502 2.444 20 0 GEADHL COc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H]1CCC[C@H]1C(=O)[O-] ZINC000296824965 532546192 /nfs/dbraw/zinc/54/61/92/532546192.db2.gz DATHOGIJSIKWNB-MWLCHTKSSA-N -2 3 392.271 2.237 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)sc1Cl ZINC000473478781 532593180 /nfs/dbraw/zinc/59/31/80/532593180.db2.gz HMXPDRXLRBERJF-NSHDSACASA-N -2 3 399.881 2.261 20 0 GEADHL C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1)C(=O)[O-] ZINC000262450968 532594636 /nfs/dbraw/zinc/59/46/36/532594636.db2.gz FPPFUYVXVSTPKV-PWSUYJOCSA-N -2 3 377.846 2.039 20 0 GEADHL CS(=O)(=O)[N-]c1cc(C(=O)Nc2ncccc2[O-])cc(C(F)(F)F)c1 ZINC000472497714 532576270 /nfs/dbraw/zinc/57/62/70/532576270.db2.gz KBGTYXBKMWPZLE-UHFFFAOYSA-N -2 3 375.328 2.430 20 0 GEADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-] ZINC000261746435 532577723 /nfs/dbraw/zinc/57/77/23/532577723.db2.gz VRVOUPNHSBXJDI-NSHDSACASA-N -2 3 385.463 2.466 20 0 GEADHL Cc1ccc(Br)c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)F)c1 ZINC000566643209 532622032 /nfs/dbraw/zinc/62/20/32/532622032.db2.gz FMABUTYWUVNZTA-QMMMGPOBSA-N -2 3 386.214 2.392 20 0 GEADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)Cc1ccc(C)c(F)c1 ZINC000566593840 532619286 /nfs/dbraw/zinc/61/92/86/532619286.db2.gz VHECCBBGKQVPBD-UHFFFAOYSA-N -2 3 390.433 2.123 20 0 GEADHL CCc1ncc(S(=O)(=O)[N-][C@](C)(CC(=O)[O-])c2cccc(OC)c2)s1 ZINC000566183146 532598960 /nfs/dbraw/zinc/59/89/60/532598960.db2.gz OEGBOLDBEWUCIX-MRXNPFEDSA-N -2 3 384.479 2.383 20 0 GEADHL CO[C@@H](C[C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-])C1CC1 ZINC000656168715 532606952 /nfs/dbraw/zinc/60/69/52/532606952.db2.gz KASYVTWOKWGWNP-BDAKNGLRSA-N -2 3 398.300 2.057 20 0 GEADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C[C@@H]1CCC2(CCCC2)O1 ZINC000656182298 532609413 /nfs/dbraw/zinc/60/94/13/532609413.db2.gz ZOELNYGZOUNXSN-JTQLQIEISA-N -2 3 375.468 2.225 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2Cl)oc1C ZINC000530477024 532622769 /nfs/dbraw/zinc/62/27/69/532622769.db2.gz IQOOJHLQTDGIGN-CYBMUJFWSA-N -2 3 387.797 2.132 20 0 GEADHL CO[C@@H](CS(=O)(=O)[N-]c1ccccc1[N-]S(C)(=O)=O)C1CCCCC1 ZINC000656615698 532623020 /nfs/dbraw/zinc/62/30/20/532623020.db2.gz DNAAVKSNUCKDLT-INIZCTEOSA-N -2 3 390.527 2.395 20 0 GEADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](Cc2ccc(O)cc2)C(=O)[O-])c1 ZINC000566713883 532624586 /nfs/dbraw/zinc/62/45/86/532624586.db2.gz ACBHCSLVGRUMOI-AWEZNQCLSA-N -2 3 385.825 2.028 20 0 GEADHL CO[C@H](CS(=O)(=O)[N-]c1c(C)ccc(Cl)c1C(=O)[O-])[C@H]1CCOC1 ZINC000656623615 532625689 /nfs/dbraw/zinc/62/56/89/532625689.db2.gz HZKRJVSHGNXLFP-CMPLNLGQSA-N -2 3 377.846 2.140 20 0 GEADHL CO[C@@H](CS(=O)(=O)[N-]c1cc(C(=O)[O-])c(Cl)cc1C)[C@H]1CCOC1 ZINC000656630878 532627865 /nfs/dbraw/zinc/62/78/65/532627865.db2.gz GDHINULGGCDGIG-HZMBPMFUSA-N -2 3 377.846 2.140 20 0 GEADHL CCOC(=O)CC1(S(=O)(=O)[N-]c2cc(Br)ccc2[O-])CC1 ZINC000436476948 532635702 /nfs/dbraw/zinc/63/57/02/532635702.db2.gz KMLNIOIQWDQLEV-UHFFFAOYSA-N -2 3 378.244 2.382 20 0 GEADHL CCC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)c(F)c1)C(=O)[O-] ZINC000567320387 532649536 /nfs/dbraw/zinc/64/95/36/532649536.db2.gz GWLSCNRACWLOJL-IINYFYTJSA-N -2 3 375.418 2.170 20 0 GEADHL C[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000285501958 532686371 /nfs/dbraw/zinc/68/63/71/532686371.db2.gz POZKTKAVFVGSDA-SFYZADRCSA-N -2 3 398.300 2.160 20 0 GEADHL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000600661120 532678650 /nfs/dbraw/zinc/67/86/50/532678650.db2.gz ZZNILPCQHHZUKT-WCQYABFASA-N -2 3 389.857 2.438 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(C)(=O)=O)c(C)c1C ZINC000265291471 532691651 /nfs/dbraw/zinc/69/16/51/532691651.db2.gz MCXWFVOJPKDDEZ-UHFFFAOYSA-N -2 3 384.479 2.484 20 0 GEADHL C[C@@H]1CC([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C[C@@H](C)C1 ZINC000606908827 532703092 /nfs/dbraw/zinc/70/30/92/532703092.db2.gz BKVGEXIJASNGBR-QWRGUYRKSA-N -2 3 378.491 2.300 20 0 GEADHL COc1ccc(Br)cc1S(=O)(=O)[N-]CC1(CC(=O)[O-])CCC1 ZINC000387920600 532705151 /nfs/dbraw/zinc/70/51/51/532705151.db2.gz XXQYEKJHWFFVFR-UHFFFAOYSA-N -2 3 392.271 2.381 20 0 GEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]CC(C)(C)C[C@@H](C)O ZINC000393552077 532710693 /nfs/dbraw/zinc/71/06/93/532710693.db2.gz HDOJODJHBYSYDU-SECBINFHSA-N -2 3 379.862 2.122 20 0 GEADHL COc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)(F)F ZINC000671645398 532723420 /nfs/dbraw/zinc/72/34/20/532723420.db2.gz UTMORNKSVVTGEF-ZETCQYMHSA-N -2 3 375.752 2.280 20 0 GEADHL C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1 ZINC000442779772 532734879 /nfs/dbraw/zinc/73/48/79/532734879.db2.gz DYIGBKKIGPDQJE-VXGBXAGGSA-N -2 3 378.491 2.444 20 0 GEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cncn2)c1 ZINC000540498729 532740292 /nfs/dbraw/zinc/74/02/92/532740292.db2.gz LNAUEOJOYUMZKG-UHFFFAOYSA-N -2 3 380.813 2.436 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CCCSC)c(F)c1 ZINC000451219062 532761877 /nfs/dbraw/zinc/76/18/77/532761877.db2.gz STPBFAUCEZWPDJ-UHFFFAOYSA-N -2 3 384.520 2.009 20 0 GEADHL Cc1sc(Br)cc1S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-] ZINC000311399559 532777958 /nfs/dbraw/zinc/77/79/58/532777958.db2.gz QVRSUEWWLOGLEM-YFKPBYRVSA-N -2 3 378.216 2.206 20 0 GEADHL Cc1cc(C[N-]S(=O)(=O)c2cc(Br)c(C)c(C(=O)[O-])c2)no1 ZINC000317613815 532784971 /nfs/dbraw/zinc/78/49/71/532784971.db2.gz GPAGIUWTVLUURS-UHFFFAOYSA-N -2 3 389.227 2.231 20 0 GEADHL N#Cc1cncc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Br)c1 ZINC000320010957 532786708 /nfs/dbraw/zinc/78/67/08/532786708.db2.gz VHGCKSOKZIWSID-UHFFFAOYSA-N -2 3 382.195 2.215 20 0 GEADHL Cc1nn(C)c(C)c1[C@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1Cl)C(=O)[O-] ZINC000548210637 532788982 /nfs/dbraw/zinc/78/89/82/532788982.db2.gz VBADUARXLSZEQZ-AWEZNQCLSA-N -2 3 389.836 2.242 20 0 GEADHL COc1ccsc1S(=O)(=O)[N-][C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000548203453 532789369 /nfs/dbraw/zinc/78/93/69/532789369.db2.gz HQZYEVYUCAPIHO-CYBMUJFWSA-N -2 3 380.447 2.212 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(=O)[O-])c(Cl)c1 ZINC000548223310 532789852 /nfs/dbraw/zinc/78/98/52/532789852.db2.gz VGLXXOKGKHICLZ-NSHDSACASA-N -2 3 377.846 2.294 20 0 GEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2(C)CCCCC2)c1 ZINC000548683738 532792803 /nfs/dbraw/zinc/79/28/03/532792803.db2.gz GLBBGRVIKFAWPL-GFCCVEGCSA-N -2 3 375.468 2.237 20 0 GEADHL O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)Nc1cc(Cl)ccc1[O-] ZINC000555579705 532807799 /nfs/dbraw/zinc/80/77/99/532807799.db2.gz PGPNVVVZEPPPPQ-UHFFFAOYSA-N -2 3 376.768 2.241 20 0 GEADHL CSCC[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)[N-]OC1CCCC1 ZINC000272099524 532813289 /nfs/dbraw/zinc/81/32/89/532813289.db2.gz LCXHOIYKUNFOPY-AWEZNQCLSA-N -2 3 390.502 2.216 20 0 GEADHL C[C@@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000273741119 532833329 /nfs/dbraw/zinc/83/33/29/532833329.db2.gz OQJGDJBSSHKHBI-PELKAZGASA-N -2 3 393.292 2.453 20 0 GEADHL COCCOCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000273768513 532833647 /nfs/dbraw/zinc/83/36/47/532833647.db2.gz QKSZZFCTYCFIIP-UHFFFAOYSA-N -2 3 386.253 2.023 20 0 GEADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](CC(=O)[O-])CC(C)(C)C ZINC000274940090 532860115 /nfs/dbraw/zinc/86/01/15/532860115.db2.gz DZZCKXNTDHNCMX-SNVBAGLBSA-N -2 3 375.418 2.170 20 0 GEADHL COC(=O)Cc1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])CC(C)(C)C)s1 ZINC000275036138 532861797 /nfs/dbraw/zinc/86/17/97/532861797.db2.gz QPOKPWRPKHQCPY-JTQLQIEISA-N -2 3 377.484 2.021 20 0 GEADHL COc1ccc(Br)c(S(=O)(=O)[N-]CC[C@@H](C)CC(=O)[O-])c1 ZINC000275071848 532863156 /nfs/dbraw/zinc/86/31/56/532863156.db2.gz WUACXPFKTHGQOA-SECBINFHSA-N -2 3 380.260 2.237 20 0 GEADHL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000275130397 532866069 /nfs/dbraw/zinc/86/60/69/532866069.db2.gz IITCZMTVIMBKJS-NEPJUHHUSA-N -2 3 391.873 2.287 20 0 GEADHL C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000275130399 532865871 /nfs/dbraw/zinc/86/58/71/532865871.db2.gz IITCZMTVIMBKJS-NWDGAFQWSA-N -2 3 391.873 2.287 20 0 GEADHL COC(=O)CC[C@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000275286103 532871734 /nfs/dbraw/zinc/87/17/34/532871734.db2.gz OSRQFTKEHDEOQS-JTQLQIEISA-N -2 3 391.854 2.239 20 0 GEADHL CC[C@H](CS(=O)(=O)[N-]c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)OC ZINC000421145762 532888898 /nfs/dbraw/zinc/88/88/98/532888898.db2.gz DCFCFVMADPFTHQ-GFCCVEGCSA-N -2 3 396.506 2.069 20 0 GEADHL Cc1nc(-c2ccc(S(=O)(=O)[N-]C3(C(=O)[O-])CCOCC3)s2)cs1 ZINC000367243507 532923819 /nfs/dbraw/zinc/92/38/19/532923819.db2.gz KUAIYYAFYPTXKX-UHFFFAOYSA-N -2 3 388.492 2.092 20 0 GEADHL O=S(=O)([N-]c1ccccc1OC(F)F)c1ccc(-c2nnn[n-]2)cc1F ZINC000738342917 598842041 /nfs/dbraw/zinc/84/20/41/598842041.db2.gz SSNVWTFRQOJHJL-UHFFFAOYSA-N -2 3 385.327 2.408 20 0 GEADHL O=S(=O)([N-]c1ccccc1OC(F)F)c1ccc(-c2nn[n-]n2)cc1F ZINC000738342917 598842042 /nfs/dbraw/zinc/84/20/42/598842042.db2.gz SSNVWTFRQOJHJL-UHFFFAOYSA-N -2 3 385.327 2.408 20 0 GEADHL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000737315140 598867516 /nfs/dbraw/zinc/86/75/16/598867516.db2.gz KCHFLZRNIKOMDZ-UHFFFAOYSA-N -3 3 393.812 2.328 20 0 GEADHL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000737315140 598867518 /nfs/dbraw/zinc/86/75/18/598867518.db2.gz KCHFLZRNIKOMDZ-UHFFFAOYSA-N -3 3 393.812 2.328 20 0 GEADHL Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)c2sccc2-c2nnn[n-]2)c1C ZINC000737246011 599025752 /nfs/dbraw/zinc/02/57/52/599025752.db2.gz IPIQCVXLFBXNAZ-UHFFFAOYSA-N -2 3 391.478 2.281 20 0 GEADHL Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)c2sccc2-c2nn[n-]n2)c1C ZINC000737246011 599025754 /nfs/dbraw/zinc/02/57/54/599025754.db2.gz IPIQCVXLFBXNAZ-UHFFFAOYSA-N -2 3 391.478 2.281 20 0 GEADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000737062793 599098238 /nfs/dbraw/zinc/09/82/38/599098238.db2.gz OOQCRCYUSQVKHK-UHFFFAOYSA-N -2 3 382.405 2.224 20 0 GEADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000737062409 599098447 /nfs/dbraw/zinc/09/84/47/599098447.db2.gz KWGUKLXWUYZSQV-UHFFFAOYSA-N -2 3 385.327 2.093 20 0 GEADHL Cc1ccccc1[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737419852 599190855 /nfs/dbraw/zinc/19/08/55/599190855.db2.gz FSNJIYVUFKISRD-ZDUSSCGKSA-N -2 3 385.449 2.174 20 0 GEADHL Cc1ccccc1[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737419852 599190857 /nfs/dbraw/zinc/19/08/57/599190857.db2.gz FSNJIYVUFKISRD-ZDUSSCGKSA-N -2 3 385.449 2.174 20 0 GEADHL Cc1ccccc1[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737419809 599191047 /nfs/dbraw/zinc/19/10/47/599191047.db2.gz DYZLDXDQIGOXLK-ZDUSSCGKSA-N -2 3 385.449 2.174 20 0 GEADHL Cc1ccccc1[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737419809 599191050 /nfs/dbraw/zinc/19/10/50/599191050.db2.gz DYZLDXDQIGOXLK-ZDUSSCGKSA-N -2 3 385.449 2.174 20 0 GEADHL Cc1ccccc1[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737423455 599191373 /nfs/dbraw/zinc/19/13/73/599191373.db2.gz RSBOFEGGOFNEOO-CQSZACIVSA-N -2 3 399.476 2.315 20 0 GEADHL Cc1ccccc1[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737423455 599191375 /nfs/dbraw/zinc/19/13/75/599191375.db2.gz RSBOFEGGOFNEOO-CQSZACIVSA-N -2 3 399.476 2.315 20 0 GEADHL Cc1ccccc1[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000737419939 599191415 /nfs/dbraw/zinc/19/14/15/599191415.db2.gz GRVRNJLJRKOOQU-CQSZACIVSA-N -2 3 399.476 2.315 20 0 GEADHL Cc1ccccc1[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000737419939 599191418 /nfs/dbraw/zinc/19/14/18/599191418.db2.gz GRVRNJLJRKOOQU-CQSZACIVSA-N -2 3 399.476 2.315 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cc1Br ZINC000822266525 599234036 /nfs/dbraw/zinc/23/40/36/599234036.db2.gz BYOZYVUVSWGRDF-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000737295901 599236615 /nfs/dbraw/zinc/23/66/15/599236615.db2.gz AJLFMWBFQAVSIQ-UHFFFAOYSA-N -2 3 399.411 2.301 20 0 GEADHL O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000426722878 597166134 /nfs/dbraw/zinc/16/61/34/597166134.db2.gz JHWGUALPISRXAC-INIZCTEOSA-N -2 3 392.408 2.316 20 0 GEADHL O=C([O-])[C@H]1CCCN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000821399981 597663562 /nfs/dbraw/zinc/66/35/62/597663562.db2.gz SYERDAGOCZFASQ-ZWKOTPCHSA-N -2 3 382.416 2.329 20 0 GEADHL O=C([O-])c1ccccc1NC(=O)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000821437644 598175623 /nfs/dbraw/zinc/17/56/23/598175623.db2.gz MWSQNKURPUUMJD-UHFFFAOYSA-N -2 3 393.193 2.108 20 0 GEADHL Cn1ccc(S(=O)(=O)[N-]c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)n1 ZINC000737612696 598283542 /nfs/dbraw/zinc/28/35/42/598283542.db2.gz MCEKCGFAPUZFKM-UHFFFAOYSA-N -2 3 397.420 2.193 20 0 GEADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000737560320 598283880 /nfs/dbraw/zinc/28/38/80/598283880.db2.gz GBIQTUILJSKAGG-UHFFFAOYSA-N -3 3 399.841 2.389 20 0 GEADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000737560320 598283882 /nfs/dbraw/zinc/28/38/82/598283882.db2.gz GBIQTUILJSKAGG-UHFFFAOYSA-N -3 3 399.841 2.389 20 0 GEADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc(F)c(F)cc1F ZINC000737063359 598307504 /nfs/dbraw/zinc/30/75/04/598307504.db2.gz XJJDUXNYPVYZNE-UHFFFAOYSA-N -2 3 385.327 2.093 20 0 GEADHL CCc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000736688650 598414468 /nfs/dbraw/zinc/41/44/68/598414468.db2.gz QAKDCJDINSXUCJ-UHFFFAOYSA-N -2 3 391.840 2.201 20 0 GEADHL CCc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000736688650 598414470 /nfs/dbraw/zinc/41/44/70/598414470.db2.gz QAKDCJDINSXUCJ-UHFFFAOYSA-N -2 3 391.840 2.201 20 0 GEADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(Cl)c1 ZINC000738138084 598415400 /nfs/dbraw/zinc/41/54/00/598415400.db2.gz DHQMCWZPSNEKSF-UHFFFAOYSA-N -2 3 398.231 2.292 20 0 GEADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(Cl)c1 ZINC000738138084 598415401 /nfs/dbraw/zinc/41/54/01/598415401.db2.gz DHQMCWZPSNEKSF-UHFFFAOYSA-N -2 3 398.231 2.292 20 0 GEADHL O=C(C=Cc1ccsc1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737805567 598417094 /nfs/dbraw/zinc/41/70/94/598417094.db2.gz ITRWBORPAWQLRI-DAFODLJHSA-N -2 3 395.853 2.100 20 0 GEADHL O=C(C=Cc1ccsc1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737805567 598417095 /nfs/dbraw/zinc/41/70/95/598417095.db2.gz ITRWBORPAWQLRI-DAFODLJHSA-N -2 3 395.853 2.100 20 0 GEADHL C[C@@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735964324 598451063 /nfs/dbraw/zinc/45/10/63/598451063.db2.gz YFUGSCUKDHGSEI-VIFPVBQESA-N -2 3 393.860 2.488 20 0 GEADHL C[C@@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735964324 598451065 /nfs/dbraw/zinc/45/10/65/598451065.db2.gz YFUGSCUKDHGSEI-VIFPVBQESA-N -2 3 393.860 2.488 20 0 GEADHL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000738216319 598595947 /nfs/dbraw/zinc/59/59/47/598595947.db2.gz XUWMAQOXIPZDAL-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000738216319 598595949 /nfs/dbraw/zinc/59/59/49/598595949.db2.gz XUWMAQOXIPZDAL-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823387375 599300556 /nfs/dbraw/zinc/30/05/56/599300556.db2.gz IYOVFTBZLJBTLI-VHSXEESVSA-N -2 3 381.314 2.491 20 0 GEADHL O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823387375 599300559 /nfs/dbraw/zinc/30/05/59/599300559.db2.gz IYOVFTBZLJBTLI-VHSXEESVSA-N -2 3 381.314 2.491 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000327860784 599315640 /nfs/dbraw/zinc/31/56/40/599315640.db2.gz UQZNGDUUDZZHEU-UHFFFAOYSA-N -3 3 379.785 2.019 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000822129229 607376199 /nfs/dbraw/zinc/37/61/99/607376199.db2.gz JNZCIQQTIZSRDJ-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000822129229 607376201 /nfs/dbraw/zinc/37/62/01/607376201.db2.gz JNZCIQQTIZSRDJ-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1cc2occc2s1 ZINC000737299563 599516579 /nfs/dbraw/zinc/51/65/79/599516579.db2.gz RWWDFACEMJQFHK-UHFFFAOYSA-N -2 3 389.418 2.102 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1cc2occc2s1 ZINC000737299563 599516582 /nfs/dbraw/zinc/51/65/82/599516582.db2.gz RWWDFACEMJQFHK-UHFFFAOYSA-N -2 3 389.418 2.102 20 0 GEADHL CCc1ccc([C@H](C)CC(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736691562 599618201 /nfs/dbraw/zinc/61/82/01/599618201.db2.gz XGDWBVBSHDONGO-CYBMUJFWSA-N -2 3 399.476 2.428 20 0 GEADHL CCc1ccc([C@H](C)CC(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736691562 599618203 /nfs/dbraw/zinc/61/82/03/599618203.db2.gz XGDWBVBSHDONGO-CYBMUJFWSA-N -2 3 399.476 2.428 20 0 GEADHL O=C(CC/C=C/c1ccccc1)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737826164 599618557 /nfs/dbraw/zinc/61/85/57/599618557.db2.gz QSEAFRRJURJFBQ-XBXARRHUSA-N -2 3 397.460 2.306 20 0 GEADHL O=C(CC/C=C/c1ccccc1)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737826164 599618559 /nfs/dbraw/zinc/61/85/59/599618559.db2.gz QSEAFRRJURJFBQ-XBXARRHUSA-N -2 3 397.460 2.306 20 0 GEADHL O=C(CCCC1CCCC1)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000822954971 599620334 /nfs/dbraw/zinc/62/03/34/599620334.db2.gz HGSMNVAGPDHQTN-UHFFFAOYSA-N -2 3 377.470 2.173 20 0 GEADHL O=C(CCCC1CCCC1)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000822954971 599620335 /nfs/dbraw/zinc/62/03/35/599620335.db2.gz HGSMNVAGPDHQTN-UHFFFAOYSA-N -2 3 377.470 2.173 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000823285471 599622001 /nfs/dbraw/zinc/62/20/01/599622001.db2.gz UFLBGSMXVVPERL-CVEARBPZSA-N -2 3 389.481 2.029 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000823285471 599622002 /nfs/dbraw/zinc/62/20/02/599622002.db2.gz UFLBGSMXVVPERL-CVEARBPZSA-N -2 3 389.481 2.029 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(C(=O)N3CCCCC3)cc2)o1 ZINC000740176896 599768349 /nfs/dbraw/zinc/76/83/49/599768349.db2.gz XSGMABXWCRUQLI-UHFFFAOYSA-N -2 3 392.433 2.082 20 0 GEADHL COc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1OC ZINC000574808153 599779017 /nfs/dbraw/zinc/77/90/17/599779017.db2.gz VGDVAINMSIBPQR-UHFFFAOYSA-N -2 3 383.422 2.251 20 0 GEADHL C[C@@H](CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C(=O)[O-] ZINC000485934341 599779510 /nfs/dbraw/zinc/77/95/10/599779510.db2.gz RHJQJPRHMCBBAP-NSHDSACASA-N -2 3 380.397 2.077 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccnc(N3CCCCCC3)c2)o1 ZINC000740177901 599779820 /nfs/dbraw/zinc/77/98/20/599779820.db2.gz UWFJDBBVFWLFNU-UHFFFAOYSA-N -2 3 379.438 2.232 20 0 GEADHL O=C([O-])c1ccc(NC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)cc1 ZINC000738683466 599885940 /nfs/dbraw/zinc/88/59/40/599885940.db2.gz NKHCOFKKJQIDAY-UHFFFAOYSA-N -2 3 396.371 2.356 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1NS(C)(=O)=O ZINC000477421947 599907185 /nfs/dbraw/zinc/90/71/85/599907185.db2.gz HRESPBIUFLQCBW-UHFFFAOYSA-N -2 3 398.462 2.174 20 0 GEADHL COC(=O)c1sc2[n-]c(CN3Cc4ccc(C(=O)[O-])cc4C3)nc(=O)c2c1C ZINC000737723231 600080860 /nfs/dbraw/zinc/08/08/60/600080860.db2.gz HHAIKOGPDMOQHA-UHFFFAOYSA-N -2 3 399.428 2.294 20 0 GEADHL COC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)ccc1F ZINC000066587928 600100368 /nfs/dbraw/zinc/10/03/68/600100368.db2.gz SWUPMHRXLTYZSY-UHFFFAOYSA-N -2 3 398.368 2.268 20 0 GEADHL COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000737623315 600100412 /nfs/dbraw/zinc/10/04/12/600100412.db2.gz SYVWNIGZSPWTMA-UHFFFAOYSA-N -2 3 398.368 2.268 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)ccc1OCC(=O)[O-] ZINC000738477108 600100923 /nfs/dbraw/zinc/10/09/23/600100923.db2.gz OTBRYWSPKCQTHP-UHFFFAOYSA-N -3 3 398.368 2.488 20 0 GEADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1N1CCN(C)CC1 ZINC000738277427 600103585 /nfs/dbraw/zinc/10/35/85/600103585.db2.gz XSUITALEBIIHSF-UHFFFAOYSA-N -2 3 389.477 2.246 20 0 GEADHL CC[C@]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)(C(=O)OC)c1ccccc1 ZINC000736924739 600137459 /nfs/dbraw/zinc/13/74/59/600137459.db2.gz OPIGIODLVGQJFX-GOSISDBHSA-N -2 3 377.418 2.142 20 0 GEADHL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)c(F)c1 ZINC000737699901 600236480 /nfs/dbraw/zinc/23/64/80/600236480.db2.gz OANROLAXCWPBRD-UHFFFAOYSA-N -2 3 397.380 2.267 20 0 GEADHL O=C([O-])NCc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000739984370 600332845 /nfs/dbraw/zinc/33/28/45/600332845.db2.gz DVDIEHVGCXAAEW-INIZCTEOSA-N -2 3 383.404 2.403 20 0 GEADHL CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736348619 600400095 /nfs/dbraw/zinc/40/00/95/600400095.db2.gz AWFQQVYHSBEPEA-MRXNPFEDSA-N -2 3 390.458 2.196 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)cc1C(=O)[O-] ZINC000047949072 600541381 /nfs/dbraw/zinc/54/13/81/600541381.db2.gz BFBIFDSJDXZCFN-UHFFFAOYSA-N -2 3 379.390 2.356 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)C(C)=O)cc2)cc1C(=O)[O-] ZINC000065833299 600543790 /nfs/dbraw/zinc/54/37/90/600543790.db2.gz NCBPACPFGRRBKV-UHFFFAOYSA-N -2 3 378.406 2.177 20 0 GEADHL Cc1c(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)nnn1-c1ccccc1Cl ZINC000738276543 600629275 /nfs/dbraw/zinc/62/92/75/600629275.db2.gz YOQBCNXRWWIBFK-UHFFFAOYSA-N -2 3 392.828 2.350 20 0 GEADHL O=C([O-])c1ccc(CS(=O)(=O)[N-]CC(=O)OCc2ccccc2Cl)cc1 ZINC000739309111 600652443 /nfs/dbraw/zinc/65/24/43/600652443.db2.gz NJQCHAVNUQNTCJ-UHFFFAOYSA-N -2 3 397.836 2.201 20 0 GEADHL CS(=O)(=O)[N-]c1cc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2F)ccc1F ZINC000832699516 600655807 /nfs/dbraw/zinc/65/58/07/600655807.db2.gz JGWROJJNCJGYSM-CQSZACIVSA-N -2 3 385.344 2.319 20 0 GEADHL CC(=O)Nc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c(F)cc1F ZINC000825890865 600677669 /nfs/dbraw/zinc/67/76/69/600677669.db2.gz ZKTQYLCZJHKFIX-UHFFFAOYSA-N -2 3 376.362 2.484 20 0 GEADHL CC[C@@]([N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1)(C(=O)OC)c1ccccc1 ZINC000828994139 600780849 /nfs/dbraw/zinc/78/08/49/600780849.db2.gz DWTSVCAUYDRACR-IBGZPJMESA-N -2 3 391.445 2.450 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])cc2)ccc1C ZINC000831348495 600810590 /nfs/dbraw/zinc/81/05/90/600810590.db2.gz UTVWEGUAKUYLRN-UHFFFAOYSA-N -2 3 379.390 2.046 20 0 GEADHL Cc1[nH]c(C(=O)[C@@H](C)N2CCN(C(=O)c3ccccc3[O-])CC2)c(C)c1C(=O)[O-] ZINC000832842988 601007656 /nfs/dbraw/zinc/00/76/56/601007656.db2.gz NWVYPUTUZFZIRH-CQSZACIVSA-N -2 3 399.447 2.065 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCCN(c3ccc(C)cc3)C2=O)cc1C(=O)[O-] ZINC000832937671 601223475 /nfs/dbraw/zinc/22/34/75/601223475.db2.gz AWVDSFAJUBNTQN-OAHLLOKOSA-N -2 3 392.433 2.069 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCN(c3cccc(Cl)c3)C2)cc1C(=O)[O-] ZINC000833028148 601227971 /nfs/dbraw/zinc/22/79/71/601227971.db2.gz KJFIMYSXJINCOB-GFCCVEGCSA-N -2 3 384.841 2.497 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCOc2ccccc2F)c1F ZINC000833294773 601229530 /nfs/dbraw/zinc/22/95/30/601229530.db2.gz WPCCHDKBXOTPSP-UHFFFAOYSA-N -2 3 375.324 2.159 20 0 GEADHL COc1ccc(OCC[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC000832444307 601229559 /nfs/dbraw/zinc/22/95/59/601229559.db2.gz MUCXPCCNISGVBG-UHFFFAOYSA-N -2 3 387.360 2.029 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCc2ccc3c(c2)CCO3)c1F ZINC000833293738 601236462 /nfs/dbraw/zinc/23/64/62/601236462.db2.gz HEHAXSQAVMYBHY-UHFFFAOYSA-N -2 3 383.372 2.119 20 0 GEADHL COC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000831650551 601240418 /nfs/dbraw/zinc/24/04/18/601240418.db2.gz MRQIEMWIMOCBQW-GFCCVEGCSA-N -2 3 385.388 2.199 20 0 GEADHL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000443367592 601249719 /nfs/dbraw/zinc/24/97/19/601249719.db2.gz BUCCCIMAYSGOLT-UHFFFAOYSA-N -4 3 395.389 2.377 20 0 GEADHL CCC1CCC([N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)(C(=O)OC)CC1 ZINC000829112257 601260679 /nfs/dbraw/zinc/26/06/79/601260679.db2.gz HFVLSMJHWSQTLY-UHFFFAOYSA-N -2 3 383.466 2.316 20 0 GEADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)C(=O)CO3)c1C ZINC000743269272 601333426 /nfs/dbraw/zinc/33/34/26/601333426.db2.gz KJHZXBSVQSTROW-UHFFFAOYSA-N -2 3 390.417 2.158 20 0 GEADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1noc(Cc2ccccc2)n1 ZINC000827748003 601405752 /nfs/dbraw/zinc/40/57/52/601405752.db2.gz YTFNITACRKSCBR-SNVBAGLBSA-N -2 3 393.446 2.460 20 0 GEADHL CCc1oc(C(=O)[O-])cc1COC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000830384107 601463965 /nfs/dbraw/zinc/46/39/65/601463965.db2.gz HZYQTRSHTRCWAA-UHFFFAOYSA-N -2 3 375.377 2.418 20 0 GEADHL O=C([O-])c1c(C2CC2)csc1NC(=O)C(=O)NCc1ccc([O-])c(F)c1 ZINC000833145566 601493847 /nfs/dbraw/zinc/49/38/47/601493847.db2.gz ORTITQPNCZMNBD-UHFFFAOYSA-N -2 3 378.381 2.423 20 0 GEADHL C[C@@]1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Br)cc2F)CCCO1 ZINC000828107141 601585741 /nfs/dbraw/zinc/58/57/41/601585741.db2.gz RCRNCCBRVPDTOD-ZDUSSCGKSA-N -2 3 396.234 2.134 20 0 GEADHL O=C([O-])[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000833170483 601612031 /nfs/dbraw/zinc/61/20/31/601612031.db2.gz HUYLWMZPNRYTSL-QGZVFWFLSA-N -2 3 390.823 2.335 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)C2CCC(NC(=O)[O-])CC2)cc1OC ZINC000739517574 601880759 /nfs/dbraw/zinc/88/07/59/601880759.db2.gz YXJUKNLEWWXSEL-UHFFFAOYSA-N -2 3 399.469 2.222 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OC(C)(C)O3)c1-c1nn[n-]n1 ZINC000826303777 607534593 /nfs/dbraw/zinc/53/45/93/607534593.db2.gz DYXRZQPWUBIHIW-UHFFFAOYSA-N -2 3 387.421 2.483 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2c(C)cc(F)cc2C(=O)[O-])c1-c1nn[n-]n1 ZINC000826268323 607535617 /nfs/dbraw/zinc/53/56/17/607535617.db2.gz SKDUPYVLYFHQJV-UHFFFAOYSA-N -3 3 391.384 2.122 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])cc2)cc(C(=O)[O-])c1F ZINC000832904242 601984890 /nfs/dbraw/zinc/98/48/90/601984890.db2.gz BHXAEHYTRLECLS-UHFFFAOYSA-N -3 3 383.353 2.097 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCCCC[C@H]2C(=O)[O-])s1 ZINC000547616269 601991385 /nfs/dbraw/zinc/99/13/85/601991385.db2.gz ZOMDRFCQRYNKCZ-GHMZBOCLSA-N -2 3 375.468 2.237 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCOc2ccccc2)c(Br)o1 ZINC000315483364 602141234 /nfs/dbraw/zinc/14/12/34/602141234.db2.gz ANENFLDICJVQIZ-UHFFFAOYSA-N -2 3 390.211 2.098 20 0 GEADHL COC(C)(C)C[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000831484873 602159492 /nfs/dbraw/zinc/15/94/92/602159492.db2.gz SPYXGQYYEQFRID-ZETCQYMHSA-N -2 3 384.248 2.222 20 0 GEADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C1CCOCC1 ZINC000828988878 602162457 /nfs/dbraw/zinc/16/24/57/602162457.db2.gz ISVTVOLAPSZXAY-SECBINFHSA-N -2 3 396.259 2.224 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCCc3[nH]ccc32)c(Br)o1 ZINC000833303558 602163689 /nfs/dbraw/zinc/16/36/89/602163689.db2.gz WTDOGNDOTSXFLI-VIFPVBQESA-N -2 3 389.227 2.424 20 0 GEADHL C[C@@H]([N-]S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1)C(=O)[O-] ZINC000574505833 602174172 /nfs/dbraw/zinc/17/41/72/602174172.db2.gz XPDGGIOYNDZKMC-SSDOTTSWSA-N -2 3 391.268 2.324 20 0 GEADHL COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000533169982 602322558 /nfs/dbraw/zinc/32/25/58/602322558.db2.gz NRCGKOIRZKKSNQ-UHFFFAOYSA-N -2 3 397.380 2.267 20 0 GEADHL C[C@@H](CCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824402091 607559763 /nfs/dbraw/zinc/55/97/63/607559763.db2.gz UBANPGROWWUCFY-ZDUSSCGKSA-N -2 3 385.449 2.256 20 0 GEADHL C[C@@H](CCC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824402091 607559764 /nfs/dbraw/zinc/55/97/64/607559764.db2.gz UBANPGROWWUCFY-ZDUSSCGKSA-N -2 3 385.449 2.256 20 0 GEADHL O=C([O-])NCC1([N-]S(=O)(=O)c2ccc(Br)s2)CCCC1 ZINC000740620763 602564778 /nfs/dbraw/zinc/56/47/78/602564778.db2.gz SIUQLCRTBWEUIE-UHFFFAOYSA-N -2 3 383.289 2.369 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CNC(=O)[O-])C2CCCCC2)s1 ZINC000739792426 602569613 /nfs/dbraw/zinc/56/96/13/602569613.db2.gz NMRQPQPEJCXKCG-NSHDSACASA-N -2 3 390.483 2.030 20 0 GEADHL COc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)cc(C(=O)[O-])c1OC ZINC000739870933 602645398 /nfs/dbraw/zinc/64/53/98/602645398.db2.gz IGXVEUBNIIHLSY-UHFFFAOYSA-N -3 3 396.377 2.293 20 0 GEADHL C[C@@H](CCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)NC(=O)[O-] ZINC000738902305 602733101 /nfs/dbraw/zinc/73/31/01/602733101.db2.gz BPXXXQOHCNEYMG-QMMMGPOBSA-N -2 3 382.214 2.067 20 0 GEADHL COc1ccc(-c2nc([N-]C(=O)c3ccc(CNC(=O)[O-])o3)n[nH]2)c(OC)c1 ZINC000829249366 602785003 /nfs/dbraw/zinc/78/50/03/602785003.db2.gz COVPNBYJRLXIMF-UHFFFAOYSA-N -2 3 387.352 2.102 20 0 GEADHL O=C([O-])N1CCCC[C@H]([N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000740521193 602869631 /nfs/dbraw/zinc/86/96/31/602869631.db2.gz YDVITWSEHKDLQC-QMMMGPOBSA-N -2 3 383.289 2.321 20 0 GEADHL Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H]2CCCN2C(=O)[O-])s1 ZINC000829899568 603116538 /nfs/dbraw/zinc/11/65/38/603116538.db2.gz IUGJEGZDULPDJB-QMMMGPOBSA-N -2 3 383.289 2.240 20 0 GEADHL Cc1ccc(C(=O)NCCC(=O)NCCc2ccc(NC(=O)[O-])cc2)c([O-])c1 ZINC000738514366 603482349 /nfs/dbraw/zinc/48/23/49/603482349.db2.gz DJHHRWWVBXJCSK-UHFFFAOYSA-N -2 3 385.420 2.269 20 0 GEADHL CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1cc(I)ccc1[O-] ZINC000824134893 603885131 /nfs/dbraw/zinc/88/51/31/603885131.db2.gz BOLDFDDEVRVMAY-SNVBAGLBSA-N -2 3 378.166 2.228 20 0 GEADHL C[C@@H](CC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)NC(=O)[O-] ZINC000824565092 603908403 /nfs/dbraw/zinc/90/84/03/603908403.db2.gz LNHSQFWPWHMOQQ-JTQLQIEISA-N -2 3 383.832 2.269 20 0 GEADHL O=S(=O)([N-]c1cc(C(F)(F)F)[nH]n1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826492446 607694507 /nfs/dbraw/zinc/69/45/07/607694507.db2.gz LJTSVSJAJSDYQU-UHFFFAOYSA-N -2 3 393.738 2.063 20 0 GEADHL O=S(=O)([N-]c1cc(C(F)(F)F)[nH]n1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826492446 607694509 /nfs/dbraw/zinc/69/45/09/607694509.db2.gz LJTSVSJAJSDYQU-UHFFFAOYSA-N -2 3 393.738 2.063 20 0 GEADHL O=C([O-])c1csc(NC(=O)C(=O)NCc2ccc([O-])c(Br)c2)c1 ZINC000833145746 604554085 /nfs/dbraw/zinc/55/40/85/604554085.db2.gz XVEMTIYBVQUJRF-UHFFFAOYSA-N -2 3 399.222 2.169 20 0 GEADHL C[C@H](Oc1ccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1)C(=O)[O-] ZINC000833537975 604572641 /nfs/dbraw/zinc/57/26/41/604572641.db2.gz AKTCSOXYNJKHLY-HNNXBMFYSA-N -2 3 384.432 2.202 20 0 GEADHL C[C@@]1([N-]S(=O)(=O)c2ccc(Br)cn2)CCCC[C@H]1C(=O)[O-] ZINC000833568338 604808463 /nfs/dbraw/zinc/80/84/63/604808463.db2.gz DBKVAFIQOMOUEB-GXFFZTMASA-N -2 3 377.260 2.156 20 0 GEADHL CC(C)CC(=O)Nc1cccc(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000833473584 605021706 /nfs/dbraw/zinc/02/17/06/605021706.db2.gz CYMGZBCPAJJGSP-UHFFFAOYSA-N -2 3 397.478 2.304 20 0 GEADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](CCC(=O)[O-])c1ccccc1 ZINC000548531983 605025539 /nfs/dbraw/zinc/02/55/39/605025539.db2.gz AAXDGDPMKAWPBH-HNNXBMFYSA-N -2 3 395.408 2.497 20 0 GEADHL CC1(C)CCCC[C@H]1CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824802976 607776593 /nfs/dbraw/zinc/77/65/93/607776593.db2.gz PXYZYLXFYOGGOH-ZDUSSCGKSA-N -2 3 377.470 2.278 20 0 GEADHL CC(C)CC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000833481460 605038583 /nfs/dbraw/zinc/03/85/83/605038583.db2.gz VCEDAPWGFAPDRP-CYBMUJFWSA-N -2 3 398.275 2.206 20 0 GEADHL CC1(C)CCCC[C@H]1CC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824802976 607776594 /nfs/dbraw/zinc/77/65/94/607776594.db2.gz PXYZYLXFYOGGOH-ZDUSSCGKSA-N -2 3 377.470 2.278 20 0 GEADHL COC(=O)c1cc(C)nc2nc(SCC3CCN(C(=O)[O-])CC3)[n-]c(=O)c12 ZINC000828743360 605122209 /nfs/dbraw/zinc/12/22/09/605122209.db2.gz NCFKCZVHCJEFGH-UHFFFAOYSA-N -2 3 392.437 2.308 20 0 GEADHL O=C([O-])N1CCC[C@H](CNC(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000831714671 605162914 /nfs/dbraw/zinc/16/29/14/605162914.db2.gz HBEFPMABKCZLCV-LLVKDONJSA-N -2 3 386.246 2.344 20 0 GEADHL O=C([O-])N1CCCC[C@H](NC(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000831714953 605178214 /nfs/dbraw/zinc/17/82/14/605178214.db2.gz JJBKTEJXLVNDPI-NSHDSACASA-N -2 3 386.246 2.486 20 0 GEADHL CCOc1ccc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1OCC ZINC000570042136 605189108 /nfs/dbraw/zinc/18/91/08/605189108.db2.gz FFEJIJKZIIWRLH-UHFFFAOYSA-N -2 3 383.422 2.296 20 0 GEADHL Cc1nc(C2([N-]S(=O)(=O)c3cc(F)cc(C(=O)[O-])c3)CCCCC2)no1 ZINC000833755746 605198907 /nfs/dbraw/zinc/19/89/07/605198907.db2.gz ZUTSNMVXFPJSLA-UHFFFAOYSA-N -2 3 383.401 2.353 20 0 GEADHL O=C([O-])N[C@@H]1CCc2ncc(NC(=O)c3nnc4ccccc4c3[O-])cc2C1 ZINC000834192218 605330399 /nfs/dbraw/zinc/33/03/99/605330399.db2.gz CEDZOYXTNKMJLE-LLVKDONJSA-N -2 3 379.376 2.108 20 0 GEADHL O=C([O-])NC1(C[N-]S(=O)(=O)c2cc(F)ccc2Br)CCC1 ZINC000834156209 605409993 /nfs/dbraw/zinc/40/99/93/605409993.db2.gz WHLADCZCMITFDA-UHFFFAOYSA-N -2 3 381.223 2.057 20 0 GEADHL C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000825824394 605412373 /nfs/dbraw/zinc/41/23/73/605412373.db2.gz SBRUWHTXPSPXSY-KOLCDFICSA-N -2 3 386.246 2.485 20 0 GEADHL C[C@@H]1OCC[C@@]1(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000833633265 605412382 /nfs/dbraw/zinc/41/23/82/605412382.db2.gz DGVCWADVMYOTMS-WPPNPWJKSA-N -2 3 396.234 2.132 20 0 GEADHL O=C([O-])N[C@H]1CCC[C@@H]1C(=O)Nc1cc(I)ccc1[O-] ZINC000834174761 605540799 /nfs/dbraw/zinc/54/07/99/605540799.db2.gz XSFOOPQXUNNJGM-IUCAKERBSA-N -2 3 390.177 2.372 20 0 GEADHL CS(=O)(=O)[N-]c1ccccc1NC(=O)C[C@@H](NC(=O)[O-])c1ccccc1 ZINC000829691924 605577222 /nfs/dbraw/zinc/57/72/22/605577222.db2.gz UCWWKCKXCAWDNQ-OAHLLOKOSA-N -2 3 377.422 2.396 20 0 GEADHL COc1cc(C(=O)N2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)cc(OC)c1[O-] ZINC000833885649 605909259 /nfs/dbraw/zinc/90/92/59/605909259.db2.gz LORBVVGOJYZEDP-GXTWGEPZSA-N -2 3 378.425 2.404 20 0 GEADHL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822194015 606163123 /nfs/dbraw/zinc/16/31/23/606163123.db2.gz FNPUHIBDVGPGPW-UHFFFAOYSA-N -3 3 391.384 2.122 20 0 GEADHL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822194015 606163124 /nfs/dbraw/zinc/16/31/24/606163124.db2.gz FNPUHIBDVGPGPW-UHFFFAOYSA-N -3 3 391.384 2.122 20 0 GEADHL C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)s1 ZINC000819864967 606176746 /nfs/dbraw/zinc/17/67/46/606176746.db2.gz ARLONWKBZLLBKO-QMMMGPOBSA-N -2 3 397.869 2.190 20 0 GEADHL C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)s1 ZINC000819864967 606176748 /nfs/dbraw/zinc/17/67/48/606176748.db2.gz ARLONWKBZLLBKO-QMMMGPOBSA-N -2 3 397.869 2.190 20 0 GEADHL CC(C)OCCS(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820146935 606395226 /nfs/dbraw/zinc/39/52/26/606395226.db2.gz VAOOGFRCGDHMME-UHFFFAOYSA-N -2 3 379.364 2.052 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cs2)cc1Cl ZINC000822266713 606468947 /nfs/dbraw/zinc/46/89/47/606468947.db2.gz FQKCHRSTLAGLHP-UHFFFAOYSA-N -2 3 383.842 2.009 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cs2)cc1Cl ZINC000822266713 606468948 /nfs/dbraw/zinc/46/89/48/606468948.db2.gz FQKCHRSTLAGLHP-UHFFFAOYSA-N -2 3 383.842 2.009 20 0 GEADHL CCCCCc1nnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000821062168 606468975 /nfs/dbraw/zinc/46/89/75/606468975.db2.gz UYVPRJKBCHMTFT-UHFFFAOYSA-N -2 3 379.471 2.252 20 0 GEADHL CCCCCc1nnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000821062168 606468976 /nfs/dbraw/zinc/46/89/76/606468976.db2.gz UYVPRJKBCHMTFT-UHFFFAOYSA-N -2 3 379.471 2.252 20 0 GEADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)n1 ZINC000822623338 606710274 /nfs/dbraw/zinc/71/02/74/606710274.db2.gz UDQDWQWJRJKNNZ-UHFFFAOYSA-N -2 3 389.828 2.208 20 0 GEADHL CCC(C)(C)c1ccc(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)cc1 ZINC000820847574 606710583 /nfs/dbraw/zinc/71/05/83/606710583.db2.gz HJRZUAMOYDWCMO-UHFFFAOYSA-N -2 3 375.458 2.089 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2-c2nn[n-]n2)cc1C ZINC000821845466 606820964 /nfs/dbraw/zinc/82/09/64/606820964.db2.gz GTKSBRKVLWAWFE-UHFFFAOYSA-N -2 3 388.453 2.051 20 0 GEADHL CC(=O)c1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000819835284 606863452 /nfs/dbraw/zinc/86/34/52/606863452.db2.gz UWFGQZZGOAEBDR-UHFFFAOYSA-N -2 3 379.348 2.148 20 0 GEADHL CC(=O)c1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000819835284 606863453 /nfs/dbraw/zinc/86/34/53/606863453.db2.gz UWFGQZZGOAEBDR-UHFFFAOYSA-N -2 3 379.348 2.148 20 0 GEADHL O=S(=O)([N-][C@@H]1CCc2c1cccc2F)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572544 606888823 /nfs/dbraw/zinc/88/88/23/606888823.db2.gz ISBRAPDSYVSCPQ-CQSZACIVSA-N -2 3 395.366 2.250 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccc(Br)nc1 ZINC000822153829 606980944 /nfs/dbraw/zinc/98/09/44/606980944.db2.gz PTYNJQPIFHJVNQ-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL O=S(=O)([N-]c1ccc(F)nc1)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000823589195 607004124 /nfs/dbraw/zinc/00/41/24/607004124.db2.gz SEPGNCIUFSOYPZ-UHFFFAOYSA-N -2 3 388.306 2.220 20 0 GEADHL O=S(=O)([N-]c1ccc(F)nc1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000823589195 607004126 /nfs/dbraw/zinc/00/41/26/607004126.db2.gz SEPGNCIUFSOYPZ-UHFFFAOYSA-N -2 3 388.306 2.220 20 0 GEADHL COc1ccc(-c2nc(SCc3nccn3C)[n-]c(=O)c2-c2nn[n-]n2)cc1 ZINC000821731771 607006635 /nfs/dbraw/zinc/00/66/35/607006635.db2.gz GKQGWWXSPXLGSB-UHFFFAOYSA-N -2 3 396.436 2.064 20 0 GEADHL Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000822230914 607026766 /nfs/dbraw/zinc/02/67/66/607026766.db2.gz UYTPQDHHEVBART-UHFFFAOYSA-N -2 3 390.372 2.451 20 0 GEADHL O=S(=O)([N-]c1ncc(-c2nnn[n-]2)s1)c1ccccc1C(F)(F)F ZINC000823589076 607027405 /nfs/dbraw/zinc/02/74/05/607027405.db2.gz LSJQYAOJWPMHML-UHFFFAOYSA-N -2 3 376.345 2.143 20 0 GEADHL Cc1ccn(-c2ccccc2[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)n1 ZINC000822370487 607034967 /nfs/dbraw/zinc/03/49/67/607034967.db2.gz ZDOXNZLDCFBDFJ-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL Cc1coc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)c2)n1 ZINC000822403868 607113482 /nfs/dbraw/zinc/11/34/82/607113482.db2.gz YJDAQSSLIGISQC-UHFFFAOYSA-N -2 3 397.420 2.334 20 0 GEADHL Cc1coc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)c2)n1 ZINC000822403868 607113483 /nfs/dbraw/zinc/11/34/83/607113483.db2.gz YJDAQSSLIGISQC-UHFFFAOYSA-N -2 3 397.420 2.334 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)ccc1F ZINC000823387700 607122817 /nfs/dbraw/zinc/12/28/17/607122817.db2.gz VCELJUROGZIEJX-UHFFFAOYSA-N -2 3 397.775 2.158 20 0 GEADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)c1Cl ZINC000826260816 607809764 /nfs/dbraw/zinc/80/97/64/607809764.db2.gz FSMFQPCXIWETFT-UHFFFAOYSA-N -3 3 393.812 2.328 20 0 GEADHL CSc1[nH]c(=O)c(C(=O)Nc2ccc(Cl)cc2[O-])cc1-c1nnn[n-]1 ZINC000826229377 607835720 /nfs/dbraw/zinc/83/57/20/607835720.db2.gz BSEYEEYFEYGSJQ-UHFFFAOYSA-N -2 3 378.801 2.301 20 0 GEADHL Cc1cccc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)c1Cl ZINC000826296410 607858886 /nfs/dbraw/zinc/85/88/86/607858886.db2.gz VPMWLMLAYVBYJF-UHFFFAOYSA-N -2 3 391.840 2.088 20 0 GEADHL Cc1cccc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)c1Cl ZINC000826296410 607858887 /nfs/dbraw/zinc/85/88/87/607858887.db2.gz VPMWLMLAYVBYJF-UHFFFAOYSA-N -2 3 391.840 2.088 20 0 GEADHL Cc1cccc(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c1Cl ZINC000826279139 607860592 /nfs/dbraw/zinc/86/05/92/607860592.db2.gz GQJALXBGQGPMRD-UHFFFAOYSA-N -2 3 391.840 2.256 20 0 GEADHL Cc1cccc(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c1Cl ZINC000826279139 607860593 /nfs/dbraw/zinc/86/05/93/607860593.db2.gz GQJALXBGQGPMRD-UHFFFAOYSA-N -2 3 391.840 2.256 20 0 GEADHL CC(C)(C)n1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)n1 ZINC000824148351 607879265 /nfs/dbraw/zinc/87/92/65/607879265.db2.gz RHOFQQFBMXJKMZ-UHFFFAOYSA-N -2 3 399.839 2.412 20 0 GEADHL O=S(=O)([N-]c1nnc(C(F)F)s1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826493577 607880924 /nfs/dbraw/zinc/88/09/24/607880924.db2.gz RQHMJWYKBQXICW-UHFFFAOYSA-N -2 3 393.788 2.110 20 0 GEADHL O=S(=O)([N-]c1nnc(C(F)F)s1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826493577 607880925 /nfs/dbraw/zinc/88/09/25/607880925.db2.gz RQHMJWYKBQXICW-UHFFFAOYSA-N -2 3 393.788 2.110 20 0 GEADHL O=C(c1nn(-c2ccccc2F)cc1[O-])N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826475903 607955508 /nfs/dbraw/zinc/95/55/08/607955508.db2.gz VPQTZPJTURNHTL-UHFFFAOYSA-N -2 3 391.366 2.100 20 0 GEADHL O=C(c1nn(-c2ccccc2F)cc1[O-])N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826475903 607955509 /nfs/dbraw/zinc/95/55/09/607955509.db2.gz VPQTZPJTURNHTL-UHFFFAOYSA-N -2 3 391.366 2.100 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1cc(C)c(F)c(C)c1 ZINC000826279557 608186271 /nfs/dbraw/zinc/18/62/71/608186271.db2.gz UOVHOVPHTVSONK-UHFFFAOYSA-N -2 3 389.412 2.050 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1cc(C)c(F)c(C)c1 ZINC000826279557 608186273 /nfs/dbraw/zinc/18/62/73/608186273.db2.gz UOVHOVPHTVSONK-UHFFFAOYSA-N -2 3 389.412 2.050 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)[C@@H](c1ccccc1)C1CC1 ZINC000826449834 608248031 /nfs/dbraw/zinc/24/80/31/608248031.db2.gz LQURLMXCYRGWHO-KRWDZBQOSA-N -2 3 397.460 2.007 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)[C@@H](c1ccccc1)C1CC1 ZINC000826449834 608248033 /nfs/dbraw/zinc/24/80/33/608248033.db2.gz LQURLMXCYRGWHO-KRWDZBQOSA-N -2 3 397.460 2.007 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cnn1CC(C)C ZINC000826243227 608269927 /nfs/dbraw/zinc/26/99/27/608269927.db2.gz ZPRUMRIKXHWJHT-UHFFFAOYSA-N -2 3 397.411 2.107 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cnn1CC(C)C ZINC000826243227 608269928 /nfs/dbraw/zinc/26/99/28/608269928.db2.gz ZPRUMRIKXHWJHT-UHFFFAOYSA-N -2 3 397.411 2.107 20 0 GEADHL Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824859864 608493651 /nfs/dbraw/zinc/49/36/51/608493651.db2.gz RJOSVECZRNUEFJ-HNNXBMFYSA-N -2 3 395.810 2.498 20 0 GEADHL Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824859864 608493652 /nfs/dbraw/zinc/49/36/52/608493652.db2.gz RJOSVECZRNUEFJ-HNNXBMFYSA-N -2 3 395.810 2.498 20 0 GEADHL O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1cccc(Cl)c1[O-] ZINC000826431501 608588225 /nfs/dbraw/zinc/58/82/25/608588225.db2.gz CPXKPPLIVWRNKH-UHFFFAOYSA-N -2 3 399.842 2.020 20 0 GEADHL O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)c1cccc(Cl)c1[O-] ZINC000826431501 608588227 /nfs/dbraw/zinc/58/82/27/608588227.db2.gz CPXKPPLIVWRNKH-UHFFFAOYSA-N -2 3 399.842 2.020 20 0 GEADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CC(C)(C)C1 ZINC000824867984 609138694 /nfs/dbraw/zinc/13/86/94/609138694.db2.gz RVCANNSAAFFFEF-OCCSQVGLSA-N -2 3 391.497 2.275 20 0 GEADHL C[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CC(C)(C)C1 ZINC000824867984 609138695 /nfs/dbraw/zinc/13/86/95/609138695.db2.gz RVCANNSAAFFFEF-OCCSQVGLSA-N -2 3 391.497 2.275 20 0 GEADHL O=S(=O)([N-]c1ccc(C(F)(F)F)cn1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826492684 609161232 /nfs/dbraw/zinc/16/12/32/609161232.db2.gz XSSPYLHXDRYJDO-UHFFFAOYSA-N -2 3 388.306 2.220 20 0 GEADHL O=S(=O)([N-]c1ccc(C(F)(F)F)cn1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826492684 609161233 /nfs/dbraw/zinc/16/12/33/609161233.db2.gz XSSPYLHXDRYJDO-UHFFFAOYSA-N -2 3 388.306 2.220 20 0 GEADHL CCCCCC[C@@](C)(NC(=O)COc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000825266393 609258815 /nfs/dbraw/zinc/25/88/15/609258815.db2.gz FSAQBYLWHUNSKU-GOSISDBHSA-N -2 3 375.429 2.175 20 0 GEADHL Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826332942 609274436 /nfs/dbraw/zinc/27/44/36/609274436.db2.gz NVKGOMCIUIKNJV-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826332942 609274438 /nfs/dbraw/zinc/27/44/38/609274438.db2.gz NVKGOMCIUIKNJV-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL O=S(=O)([N-]c1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)c1cccs1 ZINC000826493225 609274629 /nfs/dbraw/zinc/27/46/29/609274629.db2.gz ZTFZAGQRJINQIN-UHFFFAOYSA-N -2 3 391.413 2.054 20 0 GEADHL Cc1cc(Cl)c(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000826267568 609354635 /nfs/dbraw/zinc/35/46/35/609354635.db2.gz LKHPUGXNUGABOS-UHFFFAOYSA-N -2 3 391.840 2.256 20 0 GEADHL Cc1cc(Cl)c(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000826267568 609354638 /nfs/dbraw/zinc/35/46/38/609354638.db2.gz LKHPUGXNUGABOS-UHFFFAOYSA-N -2 3 391.840 2.256 20 0 GEADHL COCc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826164730 609525845 /nfs/dbraw/zinc/52/58/45/609525845.db2.gz NGMGGAUGWACPDW-UHFFFAOYSA-N -2 3 379.829 2.467 20 0 GEADHL COCc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826164730 609525846 /nfs/dbraw/zinc/52/58/46/609525846.db2.gz NGMGGAUGWACPDW-UHFFFAOYSA-N -2 3 379.829 2.467 20 0 GEADHL O=S(=O)([N-]c1cccc2c1OCCO2)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826493069 609526328 /nfs/dbraw/zinc/52/63/28/609526328.db2.gz RHKMPYVPEKCORE-UHFFFAOYSA-N -2 3 393.812 2.092 20 0 GEADHL O=S(=O)([N-]c1cccc2c1OCCO2)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826493069 609526331 /nfs/dbraw/zinc/52/63/31/609526331.db2.gz RHKMPYVPEKCORE-UHFFFAOYSA-N -2 3 393.812 2.092 20 0 GEADHL Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1C(=O)[O-] ZINC000826299345 609529292 /nfs/dbraw/zinc/52/92/92/609529292.db2.gz ALEAJBOCELOORC-UHFFFAOYSA-N -3 3 393.812 2.328 20 0 GEADHL Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1C(=O)[O-] ZINC000826299345 609529293 /nfs/dbraw/zinc/52/92/93/609529293.db2.gz ALEAJBOCELOORC-UHFFFAOYSA-N -3 3 393.812 2.328 20 0 GEADHL CC1([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CCC(F)(F)CC1 ZINC000824837655 609609620 /nfs/dbraw/zinc/60/96/20/609609620.db2.gz IYAJTDBGYQLPPE-UHFFFAOYSA-N -2 3 393.366 2.391 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@H](CC)C(F)F)c(F)c1 ZINC000451080496 650084397 /nfs/dbraw/zinc/08/43/97/650084397.db2.gz JGQVUGCDHPXRMY-NSHDSACASA-N -2 3 388.433 2.299 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cncc(F)c2)cc1F ZINC000500568591 650380676 /nfs/dbraw/zinc/38/06/76/650380676.db2.gz OYQJWTQNEXZJAK-UHFFFAOYSA-N -2 3 391.421 2.312 20 0 GEADHL Cc1c([C@H]([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)C(=O)[O-])cnn1C ZINC000530541189 650726183 /nfs/dbraw/zinc/72/61/83/650726183.db2.gz LGVRFBKEXOZDMX-LBPRGKRZSA-N -2 3 392.264 2.448 20 0 GEADHL O=C([N-]NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccc(F)cc1Br ZINC000160072902 644197760 /nfs/dbraw/zinc/19/77/60/644197760.db2.gz LWTCJYPHWYKCLO-UHFFFAOYSA-N -2 3 398.144 2.277 20 0 GEADHL O=C([O-])[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000161816364 644220716 /nfs/dbraw/zinc/22/07/16/644220716.db2.gz HBKXGUTVYNWEKT-PSASIEDQSA-N -2 3 380.235 2.367 20 0 GEADHL COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CC1(C(=O)[O-])CC1 ZINC000167001287 644279154 /nfs/dbraw/zinc/27/91/54/644279154.db2.gz KTNPRWYPJACNEI-UHFFFAOYSA-N -2 3 398.662 2.254 20 0 GEADHL CC[C@@H](C)C(=O)[N-][N-]S(=O)(=O)c1ccc(Br)c(C(C)=O)c1 ZINC000179974089 644481756 /nfs/dbraw/zinc/48/17/56/644481756.db2.gz KEVNRKRJBVIELR-MRVPVSSYSA-N -2 3 377.260 2.007 20 0 GEADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]CCCn2cccn2)c1 ZINC000184907256 645028435 /nfs/dbraw/zinc/02/84/35/645028435.db2.gz KNBFPVYJKHMPCO-UHFFFAOYSA-N -2 3 378.237 2.257 20 0 GEADHL O=C([N-][N-]S(=O)(=O)c1cccc2nsnc21)c1ccc(Cl)cc1F ZINC000192724559 645223456 /nfs/dbraw/zinc/22/34/56/645223456.db2.gz SZHAHDISPQLOFE-UHFFFAOYSA-N -2 3 386.817 2.107 20 0 GEADHL CSC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CCC1 ZINC000227938160 645394450 /nfs/dbraw/zinc/39/44/50/645394450.db2.gz NOADHSPHGHLMIK-UHFFFAOYSA-N -2 3 384.273 2.304 20 0 GEADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCC[C@@H](C)C(=O)[O-] ZINC000547564660 651033309 /nfs/dbraw/zinc/03/33/09/651033309.db2.gz FXELGCTVUNPWOQ-SNVBAGLBSA-N -2 3 385.463 2.467 20 0 GEADHL C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000547573064 651033571 /nfs/dbraw/zinc/03/35/71/651033571.db2.gz JOOHUPSSYAOFSG-GWCFXTLKSA-N -2 3 377.260 2.156 20 0 GEADHL C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000547573066 651033599 /nfs/dbraw/zinc/03/35/99/651033599.db2.gz JOOHUPSSYAOFSG-MFKMUULPSA-N -2 3 377.260 2.156 20 0 GEADHL CCCSC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000547600986 651038508 /nfs/dbraw/zinc/03/85/08/651038508.db2.gz VVYUXWUNISFRDC-SNVBAGLBSA-N -2 3 382.847 2.123 20 0 GEADHL CSc1nc(NC(=O)c2ccc([N-]S(=O)(=O)C(F)(F)F)c(C)c2)n[n-]1 ZINC000267027318 645875030 /nfs/dbraw/zinc/87/50/30/645875030.db2.gz RAQVHLWBZSJNDO-UHFFFAOYSA-N -2 3 395.388 2.349 20 0 GEADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](C)CCC[C@H](C)C(=O)[O-])s1 ZINC000547936255 651057051 /nfs/dbraw/zinc/05/70/51/651057051.db2.gz IKNDWDZLWALQJX-VHSXEESVSA-N -2 3 393.483 2.101 20 0 GEADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]C[C@H]2CCSC2)s1 ZINC000280722013 646709632 /nfs/dbraw/zinc/70/96/32/646709632.db2.gz UNNFQWPOIZJVIR-ZCFIWIBFSA-N -2 3 386.314 2.240 20 0 GEADHL CCc1nnc(C[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)s1 ZINC000391657928 647894079 /nfs/dbraw/zinc/89/40/79/647894079.db2.gz AIBFZLPDFODQSM-UHFFFAOYSA-N -2 3 375.859 2.239 20 0 GEADHL O=C([O-])[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000548548382 651079896 /nfs/dbraw/zinc/07/98/96/651079896.db2.gz DPILBNRUQVFRJS-ZDUSSCGKSA-N -2 3 377.315 2.217 20 0 GEADHL C[C@H]([C@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)[O-])C1CC1 ZINC000548990429 651090791 /nfs/dbraw/zinc/09/07/91/651090791.db2.gz MTEIBNMFKVDWCY-MADCSZMMSA-N -2 3 380.235 2.366 20 0 GEADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000566388479 651609764 /nfs/dbraw/zinc/60/97/64/651609764.db2.gz CYJRIMFNJFIUGC-UHFFFAOYSA-N -2 3 394.396 2.472 20 0 GEADHL O=C([O-])c1cn(CCCC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)nn1 ZINC000568962066 651691980 /nfs/dbraw/zinc/69/19/80/651691980.db2.gz KBSBVBLUAVSKJD-UHFFFAOYSA-N -2 3 393.252 2.042 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)n[nH]c1C(C)C ZINC000647279125 651741231 /nfs/dbraw/zinc/74/12/31/651741231.db2.gz PKXMZDFIIWCNBU-UHFFFAOYSA-N -2 3 390.462 2.153 20 0 GEADHL CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1 ZINC000614780671 651838150 /nfs/dbraw/zinc/83/81/50/651838150.db2.gz FQYVPFZAJJHKJH-UHFFFAOYSA-N -2 3 387.410 2.118 20 0 GEADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](C)CCC[C@H](C)C(=O)[O-] ZINC000572575357 651900696 /nfs/dbraw/zinc/90/06/96/651900696.db2.gz RUQNHIAPTIQRMD-WDEREUQCSA-N -2 3 375.418 2.170 20 0 GEADHL CCn1cncc1S(=O)(=O)[N-][C@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000573321224 651947009 /nfs/dbraw/zinc/94/70/09/651947009.db2.gz FMUZHEIOQZKOJG-GFCCVEGCSA-N -2 3 377.344 2.183 20 0 GEADHL O=C(Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1)c1cncc([O-])c1 ZINC000577758593 652213711 /nfs/dbraw/zinc/21/37/11/652213711.db2.gz HVMNHCMRAVQBBU-UHFFFAOYSA-N -2 3 376.419 2.297 20 0 GEADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc([S@](C)=O)c2)cc1C(=O)[O-] ZINC000581334381 652411323 /nfs/dbraw/zinc/41/13/23/652411323.db2.gz USPKUVKXQFHXGD-DEOSSOPVSA-N -2 3 383.447 2.322 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-][C@@H](Cc2ccc(OC(F)F)cc2)C(=O)[O-])o1 ZINC000582185086 652439383 /nfs/dbraw/zinc/43/93/83/652439383.db2.gz XAEAPFDZEWWNQV-LBPRGKRZSA-N -2 3 375.349 2.164 20 0 GEADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)C(F)F ZINC000582234254 652441532 /nfs/dbraw/zinc/44/15/32/652441532.db2.gz YPDMBJJNGGICHL-LURJTMIESA-N -2 3 379.278 2.479 20 0 GEADHL CCc1cc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(F)(F)F)c2)on1 ZINC000583266442 652479362 /nfs/dbraw/zinc/47/93/62/652479362.db2.gz KEWKWYBDSOFRGF-UHFFFAOYSA-N -2 3 378.328 2.433 20 0 GEADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C[S@](C)=O ZINC000584502744 652523292 /nfs/dbraw/zinc/52/32/92/652523292.db2.gz UEJOYJYQXQYYFN-DEOSSOPVSA-N -2 3 383.447 2.078 20 0 GEADHL C[C@H](CSCC[N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000592447260 652595498 /nfs/dbraw/zinc/59/54/98/652595498.db2.gz BGYFPDQXMWXKTP-SSDOTTSWSA-N -2 3 388.330 2.243 20 0 GEADHL CC(C)O[C@]1(CS(=O)(=O)[N-]c2cc(Br)ccc2[O-])CCOC1 ZINC000634789162 652665099 /nfs/dbraw/zinc/66/50/99/652665099.db2.gz BAODPDRSVYSIJU-CQSZACIVSA-N -2 3 394.287 2.481 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cccc(Cl)n2)cc1F ZINC000775194200 653302941 /nfs/dbraw/zinc/30/29/41/653302941.db2.gz YWPDGIQRRYQEMM-UHFFFAOYSA-N -2 3 393.849 2.437 20 0 GEADHL Cn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)nc1Cl ZINC000776500655 653352264 /nfs/dbraw/zinc/35/22/64/653352264.db2.gz POVKILBKTZAANW-JTQLQIEISA-N -2 3 397.762 2.197 20 0 GEADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@@H](C)CCCCC(=O)[O-])c1F ZINC000776555909 653357233 /nfs/dbraw/zinc/35/72/33/653357233.db2.gz VLVIEQJXQCUFOA-VIFPVBQESA-N -2 3 379.381 2.063 20 0 GEADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000837293898 653423296 /nfs/dbraw/zinc/42/32/96/653423296.db2.gz WUDZYKXVMFRVHK-SSDOTTSWSA-N -2 3 385.667 2.419 20 0 GEADHL O=C(CNC(=O)c1ccc([O-])cc1)[N-]OCc1ccc(F)cc1Br ZINC000781119521 653638323 /nfs/dbraw/zinc/63/83/23/653638323.db2.gz UWNNRDQZJRAKBU-UHFFFAOYSA-N -2 3 397.200 2.272 20 0 GEADHL C[C@H]1C[C@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)CS1 ZINC000840900081 653700142 /nfs/dbraw/zinc/70/01/42/653700142.db2.gz UKNYSQANPYSKBE-WDSKDSINSA-N -2 3 386.314 2.381 20 0 GEADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]CCOCC2CCC2)s1 ZINC000843287345 653782942 /nfs/dbraw/zinc/78/29/42/653782942.db2.gz BKTWHGOKWKLTNX-UHFFFAOYSA-N -2 3 398.300 2.304 20 0 GEADHL CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]c1cc(Cc2ccccc2)ccc1[O-] ZINC000882708734 653799183 /nfs/dbraw/zinc/79/91/83/653799183.db2.gz SXTPOBGJPIEWAH-XMMPIXPASA-N -2 3 383.495 2.214 20 0 GEADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]CCCO[C@@H]2CCOC2)c1 ZINC000844897172 653826553 /nfs/dbraw/zinc/82/65/53/653826553.db2.gz AAHIMTADJHNRFR-SNVBAGLBSA-N -2 3 398.264 2.166 20 0 GEADHL O=S(=O)([N-]c1ncc(-c2nnn[n-]2)s1)c1cccc(Cl)c1Cl ZINC000823588995 653873214 /nfs/dbraw/zinc/87/32/14/653873214.db2.gz HEACPNHSCLQCGW-UHFFFAOYSA-N -2 3 377.238 2.431 20 0 GEADHL COC(=O)c1sc(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)c(C)c1Cl ZINC000794768679 653920119 /nfs/dbraw/zinc/92/01/19/653920119.db2.gz XDHIZIHJZPXAJE-UHFFFAOYSA-N -2 3 381.859 2.030 20 0 GEADHL Cn1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C2CCC2)C2CCC2)nc1Cl ZINC000794774356 653920441 /nfs/dbraw/zinc/92/04/41/653920441.db2.gz FMXXUXFIPLDGSK-CYBMUJFWSA-N -2 3 375.878 2.021 20 0 GEADHL Cc1ccccc1S(=O)(=O)[N-]c1cc(-c2nnn[n-]2)c(Br)cn1 ZINC000826308086 653949308 /nfs/dbraw/zinc/94/93/08/653949308.db2.gz JGSRFUZBUGCDEP-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL Cc1ccccc1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)c(Br)cn1 ZINC000826308086 653949309 /nfs/dbraw/zinc/94/93/09/653949309.db2.gz JGSRFUZBUGCDEP-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL O=C([O-])CC1([N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)CCC1 ZINC000899556271 654021527 /nfs/dbraw/zinc/02/15/27/654021527.db2.gz KVZMEBSKBGWOIY-UHFFFAOYSA-N -2 3 383.651 2.173 20 0 GEADHL CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000849457347 654039701 /nfs/dbraw/zinc/03/97/01/654039701.db2.gz CIFDTUCLSOJFSK-KCJUWKMLSA-N -2 3 387.845 2.434 20 0 GEADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCOC[C@@H]2CC(=O)[O-])c1Cl ZINC000899949945 654041252 /nfs/dbraw/zinc/04/12/52/654041252.db2.gz MDRZHAXRHHJKOX-GXSJLCMTSA-N -2 3 382.265 2.460 20 0 GEADHL O=C([O-])c1cccc(CC[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)n1 ZINC000798411561 654062233 /nfs/dbraw/zinc/06/22/33/654062233.db2.gz SVWTXPQDZLCCPG-UHFFFAOYSA-N -2 3 376.221 2.003 20 0 GEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H](c1ccccc1)C1CCOCC1 ZINC000829447569 654067446 /nfs/dbraw/zinc/06/74/46/654067446.db2.gz NIKOHZVPKNZOLI-ZDUSSCGKSA-N -2 3 382.463 2.288 20 0 GEADHL C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000830790422 654142656 /nfs/dbraw/zinc/14/26/56/654142656.db2.gz UPWGADZRCUETSG-ZDUSSCGKSA-N -2 3 395.175 2.438 20 0 GEADHL Cc1nc(-c2ccc(S(=O)(=O)[N-]C[C@@H]3[C@H](C(=O)[O-])C3(F)F)s2)cs1 ZINC000903004449 654208845 /nfs/dbraw/zinc/20/88/45/654208845.db2.gz BFBGGXFGOJLRKP-RDDDGLTNSA-N -2 3 394.446 2.424 20 0 GEADHL O=C([O-])C1([N-]S(=O)(=O)c2cnc(-c3ccccc3)s2)CCSCC1 ZINC000903497689 654241989 /nfs/dbraw/zinc/24/19/89/654241989.db2.gz MLHZIVFDGPQKBL-UHFFFAOYSA-N -2 3 384.504 2.439 20 0 GEADHL CCCCOCC[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000871840354 654267585 /nfs/dbraw/zinc/26/75/85/654267585.db2.gz DVUIPYCVGFHEFS-UHFFFAOYSA-N -2 3 386.289 2.304 20 0 GEADHL CC1(C)OC[C@H]2C[C@]21[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000871992988 654304267 /nfs/dbraw/zinc/30/42/67/654304267.db2.gz CIOCVFNUHZESFF-INWYIAFRSA-N -2 3 396.284 2.055 20 0 GEADHL CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000909159543 654654457 /nfs/dbraw/zinc/65/44/57/654654457.db2.gz NDXHNUULLSFQGY-LBPRGKRZSA-N -2 3 389.246 2.174 20 0 GEADHL O=S(=O)([N-]c1cccc(-c2nnn[n-]2)c1)c1ccc(Br)s1 ZINC000007709248 531543692 /nfs/dbraw/zinc/54/36/92/531543692.db2.gz BPTIIDPGUXHGMI-UHFFFAOYSA-N -2 3 386.256 2.492 20 0 GEADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1ccc(Br)s1 ZINC000007709248 531543697 /nfs/dbraw/zinc/54/36/97/531543697.db2.gz BPTIIDPGUXHGMI-UHFFFAOYSA-N -2 3 386.256 2.492 20 0 GEADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2ccccc2Cn2cccn2)c1 ZINC000013270324 531558393 /nfs/dbraw/zinc/55/83/93/531558393.db2.gz UBWYFBWDQPOKQO-UHFFFAOYSA-N -2 3 377.447 2.170 20 0 GEADHL O=C([O-])CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1 ZINC000023990338 531600200 /nfs/dbraw/zinc/60/02/00/531600200.db2.gz ITRIVVFLYVWANO-UHFFFAOYSA-N -2 3 386.788 2.094 20 0 GEADHL CCc1ccc(S(=O)(=O)[N-]c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)s1 ZINC000055594168 531795188 /nfs/dbraw/zinc/79/51/88/531795188.db2.gz CGLAXQIYMMFMBK-INIZCTEOSA-N -2 3 379.463 2.166 20 0 GEADHL C[C@@H](C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)c1ccccc1 ZINC000067718042 531888061 /nfs/dbraw/zinc/88/80/61/531888061.db2.gz NJFDMRTVLNMUNY-LBPRGKRZSA-N -2 3 386.470 2.279 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)c(F)c1 ZINC000185043901 532336728 /nfs/dbraw/zinc/33/67/28/532336728.db2.gz OGLHQXIBTKIVKL-UHFFFAOYSA-N -2 3 384.332 2.478 20 0 GEADHL Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000463786035 532382348 /nfs/dbraw/zinc/38/23/48/532382348.db2.gz JYMKPZRKWAGWLN-UHFFFAOYSA-N -2 3 389.430 2.172 20 0 GEADHL C[C@@H]([C@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)C(=O)[O-])C1CC1 ZINC000516982393 532400269 /nfs/dbraw/zinc/40/02/69/532400269.db2.gz YUQAXCXLLOWXBR-GLEZIHRCSA-N -2 3 386.857 2.002 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@](C)(CCC(C)(C)C)C(=O)[O-])c(C)o1 ZINC000560084315 532413726 /nfs/dbraw/zinc/41/37/26/532413726.db2.gz XTDJOPFQCDIZQQ-MRXNPFEDSA-N -2 3 375.443 2.323 20 0 GEADHL C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1)C(=O)[O-] ZINC000427293689 532420782 /nfs/dbraw/zinc/42/07/82/532420782.db2.gz DSYODFSVBXGXBC-JTQLQIEISA-N -2 3 382.825 2.344 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)[C@@H](C(=O)[O-])C(C)C)c(Cl)c1 ZINC000591743642 532421955 /nfs/dbraw/zinc/42/19/55/532421955.db2.gz WTKNEYYBRQDKNJ-ZANVPECISA-N -2 3 377.846 2.150 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1cc(F)ccc1F ZINC000681566577 532430938 /nfs/dbraw/zinc/43/09/38/532430938.db2.gz GALBMCAHTANMAQ-ZDUSSCGKSA-N -2 3 381.278 2.486 20 0 GEADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]C[C@@](C)(CC(=O)[O-])C(=O)[O-])c1Cl ZINC000681579452 532431745 /nfs/dbraw/zinc/43/17/45/532431745.db2.gz OROFICZKQBIMRA-CQSZACIVSA-N -3 3 398.264 2.454 20 0 GEADHL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000681577391 532431890 /nfs/dbraw/zinc/43/18/90/532431890.db2.gz SVFISCYQPXKVTP-NSHDSACASA-N -2 3 392.271 2.162 20 0 GEADHL CCn1cc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])c2ccc(Cl)cc2)nc1C ZINC000681572840 532432311 /nfs/dbraw/zinc/43/23/11/532432311.db2.gz NHRNVDDWHWSASV-ZDUSSCGKSA-N -2 3 385.873 2.402 20 0 GEADHL CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000681577390 532432355 /nfs/dbraw/zinc/43/23/55/532432355.db2.gz SVFISCYQPXKVTP-LLVKDONJSA-N -2 3 392.271 2.162 20 0 GEADHL O=C(C[N-]S(=O)(=O)c1ccccc1F)Nc1cc(Cl)c([O-])cc1F ZINC000561407298 532438541 /nfs/dbraw/zinc/43/85/41/532438541.db2.gz FFAMVQRHNKVDDB-UHFFFAOYSA-N -2 3 376.768 2.241 20 0 GEADHL C[C@H]1OCC[C@H]1S(=O)(=O)[N-]c1cc(Br)c(F)cc1C(=O)[O-] ZINC000650420544 532445262 /nfs/dbraw/zinc/44/52/62/532445262.db2.gz AUKDYXDLBONQKX-KSBSHMNSSA-N -2 3 382.207 2.206 20 0 GEADHL COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C1([C@@H](C)C(=O)[O-])CC1 ZINC000650427620 532446869 /nfs/dbraw/zinc/44/68/69/532446869.db2.gz NVGXPPZYCFYJSP-MNOVXSKESA-N -2 3 391.873 2.285 20 0 GEADHL COc1ccc(Br)c(S(=O)(=O)[N-]C[C@@H](CC2CC2)C(=O)[O-])c1 ZINC000650431568 532447172 /nfs/dbraw/zinc/44/71/72/532447172.db2.gz VZOPBXZVCDWGFN-SNVBAGLBSA-N -2 3 392.271 2.237 20 0 GEADHL C[C@@H]1OCC[C@H]1S(=O)(=O)[N-]c1cc(Br)c(F)cc1C(=O)[O-] ZINC000650420545 532445737 /nfs/dbraw/zinc/44/57/37/532445737.db2.gz AUKDYXDLBONQKX-UPONEAKYSA-N -2 3 382.207 2.206 20 0 GEADHL COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]C1([C@H](C)C(=O)[O-])CC1 ZINC000650426405 532445970 /nfs/dbraw/zinc/44/59/70/532445970.db2.gz KBWBZYGELGHBCT-LLVKDONJSA-N -2 3 391.873 2.287 20 0 GEADHL COc1cc(=NC(=O)N=c2[n-]nc(SCc3ccccc3)s2)[n-]n1C ZINC000562445286 532467195 /nfs/dbraw/zinc/46/71/95/532467195.db2.gz IYQUXWRXCSEOPZ-UHFFFAOYSA-N -2 3 376.467 2.060 20 0 GEADHL COCC1(S(=O)(=O)[N-]c2c(C)c(Br)ccc2C(=O)[O-])CC1 ZINC000519599009 532471099 /nfs/dbraw/zinc/47/10/99/532471099.db2.gz BGXHAJAMXKBYQL-UHFFFAOYSA-N -2 3 378.244 2.376 20 0 GEADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H](C)[C@H]1COc2ccccc21 ZINC000519769199 532478142 /nfs/dbraw/zinc/47/81/42/532478142.db2.gz NNZVOTVMTKVRCQ-MWLCHTKSSA-N -2 3 383.447 2.298 20 0 GEADHL COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000684760950 532483204 /nfs/dbraw/zinc/48/32/04/532483204.db2.gz KCQRWSISGGDKQZ-WZRBSPASSA-N -2 3 391.873 2.285 20 0 GEADHL CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](CC(C)C)C(=O)[O-])c(F)c1 ZINC000593218898 532475827 /nfs/dbraw/zinc/47/58/27/532475827.db2.gz YPHPXEQRWBYZCC-LBPRGKRZSA-N -2 3 375.418 2.028 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)[C@H]1CCCO1 ZINC000630423309 532518818 /nfs/dbraw/zinc/51/88/18/532518818.db2.gz QZDMXOSIUDUFOS-KOLCDFICSA-N -2 3 398.662 2.013 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Br)c1)[C@H]1CCCO1 ZINC000630423176 532518972 /nfs/dbraw/zinc/51/89/72/532518972.db2.gz PUFWTCFVNSWRRS-GHMZBOCLSA-N -2 3 398.662 2.013 20 0 GEADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000521336880 532511528 /nfs/dbraw/zinc/51/15/28/532511528.db2.gz GKASVUJCPBMZNP-UHFFFAOYSA-N -3 3 385.781 2.302 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)[C@H]1CCCO1 ZINC000630422175 532519162 /nfs/dbraw/zinc/51/91/62/532519162.db2.gz KSJJQQIOLHNTTO-MNOVXSKESA-N -2 3 398.662 2.013 20 0 GEADHL COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](C)CC(=O)[O-] ZINC000526060754 532538912 /nfs/dbraw/zinc/53/89/12/532538912.db2.gz YDRUOEOCYMAOMA-MNOVXSKESA-N -2 3 379.862 2.143 20 0 GEADHL C[C@H](CCC[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)C(=O)[O-] ZINC000296787229 532542572 /nfs/dbraw/zinc/54/25/72/532542572.db2.gz APFPSNRXQQKGMN-SSDOTTSWSA-N -2 3 385.667 2.277 20 0 GEADHL Cc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)[C@H]1CCO[C@@H]1C ZINC000565058736 532545594 /nfs/dbraw/zinc/54/55/94/532545594.db2.gz ZIQHBYWNBRMZSD-SCZZXKLOSA-N -2 3 378.244 2.375 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)c2ccccc2)s1 ZINC000594679424 532519477 /nfs/dbraw/zinc/51/94/77/532519477.db2.gz CJKXFAJZDIAOQD-YGRLFVJLSA-N -2 3 383.447 2.070 20 0 GEADHL CC[C@H](CC[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C(=O)[O-] ZINC000296878372 532550948 /nfs/dbraw/zinc/55/09/48/532550948.db2.gz FGJFMHMUWRXTMF-SECBINFHSA-N -2 3 380.825 2.217 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2C(=O)[O-])cc1Cl ZINC000297100770 532566211 /nfs/dbraw/zinc/56/62/11/532566211.db2.gz ZARBGMSHKANETN-NXEZZACHSA-N -2 3 392.836 2.217 20 0 GEADHL Cc1nn2cc(S(=O)(=O)[N-][C@@H]3CCCC[C@@H]3CC(=O)[O-])cnc2c1Cl ZINC000654789948 532569507 /nfs/dbraw/zinc/56/95/07/532569507.db2.gz LRLHMFIVCOQMMP-ZYHUDNBSSA-N -2 3 386.861 2.003 20 0 GEADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(F)c(Br)cc1OC)C(=O)[O-] ZINC000262387851 532591983 /nfs/dbraw/zinc/59/19/83/532591983.db2.gz ICJZOWZLUMIZFT-MADCSZMMSA-N -2 3 398.250 2.374 20 0 GEADHL CC[C@@H](CC[N-]S(=O)(=O)c1cc(Br)ccc1OC)C(=O)[O-] ZINC000297253613 532577125 /nfs/dbraw/zinc/57/71/25/532577125.db2.gz QVSPULWFQHSNIL-VIFPVBQESA-N -2 3 380.260 2.237 20 0 GEADHL COc1ccnc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C(C)(C)C)n1 ZINC000565838042 532580332 /nfs/dbraw/zinc/58/03/32/532580332.db2.gz VHJOMNPILYOZPQ-UHFFFAOYSA-N -2 3 385.467 2.021 20 0 GEADHL CC[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)[O-])O2)c1nc(C)cs1 ZINC000566176844 532597604 /nfs/dbraw/zinc/59/76/04/532597604.db2.gz NMEZXXPQTZUWFZ-TZMCWYRMSA-N -2 3 382.463 2.269 20 0 GEADHL COc1ccc2c(c1)CCC[C@H]2C[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000566174844 532597774 /nfs/dbraw/zinc/59/77/74/532597774.db2.gz XEIAJAMDBYFMJC-NSHDSACASA-N -2 3 382.463 2.248 20 0 GEADHL CCc1ncc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(OC(F)F)cc2)s1 ZINC000566183336 532599115 /nfs/dbraw/zinc/59/91/15/532599115.db2.gz XAEUFJQIQAZYCD-LBPRGKRZSA-N -2 3 392.405 2.411 20 0 GEADHL COc1cc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)ccc1F ZINC000436172168 532628836 /nfs/dbraw/zinc/62/88/36/532628836.db2.gz FHXHPZPLHRQXPO-UHFFFAOYSA-N -2 3 392.405 2.146 20 0 GEADHL Cn1c2cc([O-])c(NC(=O)c3ccc(Br)cc3[O-])cc2n(C)c1=O ZINC000436619856 532640062 /nfs/dbraw/zinc/64/00/62/532640062.db2.gz QTLSNPRCQJHWDG-UHFFFAOYSA-N -2 3 392.209 2.303 20 0 GEADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)c1ccc(C)cc1Cl ZINC000484556771 532680833 /nfs/dbraw/zinc/68/08/33/532680833.db2.gz NNDFOVMSYPALSF-UHFFFAOYSA-N -2 3 386.813 2.351 20 0 GEADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000484558548 532681818 /nfs/dbraw/zinc/68/18/18/532681818.db2.gz SDBIXXIVBLIKED-UHFFFAOYSA-N -2 3 386.813 2.351 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)(F)F)c(Cl)c1 ZINC000575215392 532718095 /nfs/dbraw/zinc/71/80/95/532718095.db2.gz MDBNDIPKPDOYCC-ZETCQYMHSA-N -2 3 375.752 2.280 20 0 GEADHL Cc1cc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Br)c2C)no1 ZINC000387439389 532704722 /nfs/dbraw/zinc/70/47/22/532704722.db2.gz OJMSMRSYQPPWLN-UHFFFAOYSA-N -2 3 389.227 2.231 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2n[nH]c(C)c2C)cc1F ZINC000537262555 532704786 /nfs/dbraw/zinc/70/47/86/532704786.db2.gz GZPJYDQRANOVGV-UHFFFAOYSA-N -2 3 390.462 2.118 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2[nH]nc(C)c2C)cc1F ZINC000537262555 532704789 /nfs/dbraw/zinc/70/47/89/532704789.db2.gz GZPJYDQRANOVGV-UHFFFAOYSA-N -2 3 390.462 2.118 20 0 GEADHL CO[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)CC(=O)[O-] ZINC000391033480 532706476 /nfs/dbraw/zinc/70/64/76/532706476.db2.gz CUHPZQBDNKYPTJ-MRVPVSSYSA-N -2 3 375.752 2.127 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@H]2C[C@H]2C2CCCCC2)c(F)c1 ZINC000608032604 532709183 /nfs/dbraw/zinc/70/91/83/532709183.db2.gz RLYWFTANBSXLHJ-ZFWWWQNUSA-N -2 3 390.502 2.444 20 0 GEADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1COc2c1ccc(C)c2C ZINC000574570896 532714690 /nfs/dbraw/zinc/71/46/90/532714690.db2.gz VOAKHVUBNHAVRA-LLVKDONJSA-N -2 3 383.447 2.484 20 0 GEADHL CCC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl)C(=O)[O-] ZINC000575060097 532716895 /nfs/dbraw/zinc/71/68/95/532716895.db2.gz WTQKAXYLQBFTBK-GFCCVEGCSA-N -2 3 377.846 2.294 20 0 GEADHL C[N-]S(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)ccc1F ZINC000671662491 532723844 /nfs/dbraw/zinc/72/38/44/532723844.db2.gz YIGJNOQCAOQVHD-UHFFFAOYSA-N -2 3 396.824 2.327 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CCC(C)(C)C)C(=O)[O-])cc1F ZINC000446135459 532754767 /nfs/dbraw/zinc/75/47/67/532754767.db2.gz FPANLLSYCKULOV-ZDUSSCGKSA-N -2 3 375.418 2.170 20 0 GEADHL Cc1ncc(CNC(=O)N=c2nc(-c3cccc(Cl)c3)[n-]s2)c(=O)[n-]1 ZINC000542730182 532777423 /nfs/dbraw/zinc/77/74/23/532777423.db2.gz SDHSIDBBCTWJJL-UHFFFAOYSA-N -2 3 376.829 2.406 20 0 GEADHL Cc1sc(Br)cc1S(=O)(=O)[N-][C@H](CC(F)F)C(=O)[O-] ZINC000311399558 532777446 /nfs/dbraw/zinc/77/74/46/532777446.db2.gz QVRSUEWWLOGLEM-RXMQYKEDSA-N -2 3 378.216 2.206 20 0 GEADHL COc1ccc(Br)c([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000316329497 532782722 /nfs/dbraw/zinc/78/27/22/532782722.db2.gz GLHILPKNOXKKQG-UHFFFAOYSA-N -2 3 389.227 2.295 20 0 GEADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCC[C@]1(C)C(=O)[O-] ZINC000547566398 532786751 /nfs/dbraw/zinc/78/67/51/532786751.db2.gz VEYAPZZBBOQKMZ-CJNGLKHVSA-N -2 3 389.857 2.438 20 0 GEADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccccc2OC)c1 ZINC000548209046 532788927 /nfs/dbraw/zinc/78/89/27/532788927.db2.gz YMZAMTGPPRJYPF-HNNXBMFYSA-N -2 3 385.825 2.461 20 0 GEADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cnn(C)c2)c1Cl ZINC000548204424 532788941 /nfs/dbraw/zinc/78/89/41/532788941.db2.gz YGRSHUROICEFNA-LLVKDONJSA-N -2 3 378.237 2.140 20 0 GEADHL O=C([O-])[C@@H](CC1CCCC1)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000548223702 532789770 /nfs/dbraw/zinc/78/97/70/532789770.db2.gz QMKPNNSBMYAHKF-LLVKDONJSA-N -2 3 377.260 2.156 20 0 GEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]C[C@H](O)CC(C)(C)C ZINC000326917176 532790706 /nfs/dbraw/zinc/79/07/06/532790706.db2.gz QZOKOXXISIOOLL-SNVBAGLBSA-N -2 3 379.862 2.122 20 0 GEADHL COc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCCC[C@@H]2C(=O)[O-])cc1OC ZINC000327179271 532791861 /nfs/dbraw/zinc/79/18/61/532791861.db2.gz VGTPIDAMPLIPAD-CMPLNLGQSA-N -2 3 375.418 2.155 20 0 GEADHL CCCSC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl)C(=O)[O-] ZINC000548578788 532792460 /nfs/dbraw/zinc/79/24/60/532792460.db2.gz CNKUQOGHKOSJPF-LLVKDONJSA-N -2 3 395.886 2.001 20 0 GEADHL COc1cc(F)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])CC(C)(C)C)cc1OC ZINC000328329680 532793924 /nfs/dbraw/zinc/79/39/24/532793924.db2.gz SHAFNWALLWCRSG-JTQLQIEISA-N -2 3 377.434 2.401 20 0 GEADHL O=S(=O)([N-][C@@H](C1CC1)C(F)(F)F)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000288309832 532824301 /nfs/dbraw/zinc/82/43/01/532824301.db2.gz HOMFYHDIBCRMDH-JTQLQIEISA-N -2 3 381.767 2.139 20 0 GEADHL O=S(=O)([N-][C@@H](C1CC1)C(F)(F)F)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000288309832 532824303 /nfs/dbraw/zinc/82/43/03/532824303.db2.gz HOMFYHDIBCRMDH-JTQLQIEISA-N -2 3 381.767 2.139 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCCCO2)c(Br)cc1F ZINC000273661620 532829667 /nfs/dbraw/zinc/82/96/67/532829667.db2.gz IGEMYWGITMEYFM-MRVPVSSYSA-N -2 3 396.234 2.134 20 0 GEADHL CO[C@H](C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br)C(C)C ZINC000273792913 532834428 /nfs/dbraw/zinc/83/44/28/532834428.db2.gz RTTMDSHOHRQCCT-MRVPVSSYSA-N -2 3 386.289 2.158 20 0 GEADHL CO[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Br)C(C)C ZINC000273854251 532835708 /nfs/dbraw/zinc/83/57/08/532835708.db2.gz YMYMKJSMCXAPCC-LLVKDONJSA-N -2 3 398.250 2.236 20 0 GEADHL O=C([O-])[C@H](CN1CCCCC1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000274969979 532860542 /nfs/dbraw/zinc/86/05/42/532860542.db2.gz KFROKXUETRNBGH-LBPRGKRZSA-N -2 3 381.281 2.211 20 0 GEADHL CCC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(=O)[O-] ZINC000275028464 532861637 /nfs/dbraw/zinc/86/16/37/532861637.db2.gz PTHBQSSBDWGCDZ-SNVBAGLBSA-N -2 3 398.662 2.203 20 0 GEADHL Cc1nn(C)c(C)c1[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000275031736 532861724 /nfs/dbraw/zinc/86/17/24/532861724.db2.gz FUCXFJCRJMSXNB-ZDUSSCGKSA-N -2 3 392.264 2.448 20 0 GEADHL CCC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000275025477 532861838 /nfs/dbraw/zinc/86/18/38/532861838.db2.gz PHHAFMQARVPWFH-SNVBAGLBSA-N -2 3 398.662 2.203 20 0 GEADHL C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000275130400 532865781 /nfs/dbraw/zinc/86/57/81/532865781.db2.gz IITCZMTVIMBKJS-RYUDHWBXSA-N -2 3 391.873 2.287 20 0 GEADHL COCc1nc(C[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)cs1 ZINC000290681737 532886696 /nfs/dbraw/zinc/88/66/96/532886696.db2.gz QBXVUNUXHXPTMR-UHFFFAOYSA-N -2 3 390.870 2.428 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2cc(F)ccc2Br)o1 ZINC000038039079 207261862 /nfs/dbraw/zinc/26/18/62/207261862.db2.gz WYAAVAJRBMVOSI-UHFFFAOYSA-N -2 3 378.175 2.358 20 0 GEADHL O=C([O-])[C@H]1C=C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000276894152 532903125 /nfs/dbraw/zinc/90/31/25/532903125.db2.gz KPYOFUVWBJXORT-YUMQZZPRSA-N -2 3 380.647 2.410 20 0 GEADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCOCC1 ZINC000368566918 532933329 /nfs/dbraw/zinc/93/33/29/532933329.db2.gz PRUJKLARCYXLMI-UHFFFAOYSA-N -2 3 387.763 2.271 20 0 GEADHL Cc1cn2cc([N-]S(=O)(=O)c3cccc(Cl)c3-c3nnn[n-]3)ccc2n1 ZINC000737446430 598823500 /nfs/dbraw/zinc/82/35/00/598823500.db2.gz QRDDPAMSVCQMJR-UHFFFAOYSA-N -2 3 389.828 2.277 20 0 GEADHL O=S(=O)([N-]c1cccc(Cn2cccn2)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738341042 598842259 /nfs/dbraw/zinc/84/22/59/598842259.db2.gz CTZANTMZTBIGMC-UHFFFAOYSA-N -2 3 399.411 2.051 20 0 GEADHL O=S(=O)([N-]c1cccc(Cn2cccn2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738341042 598842260 /nfs/dbraw/zinc/84/22/60/598842260.db2.gz CTZANTMZTBIGMC-UHFFFAOYSA-N -2 3 399.411 2.051 20 0 GEADHL Cc1ccccc1-n1nccc1[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737415186 598858605 /nfs/dbraw/zinc/85/86/05/598858605.db2.gz LTGJXSSGESPJJJ-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL Cc1ccccc1-n1nccc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737415186 598858607 /nfs/dbraw/zinc/85/86/07/598858607.db2.gz LTGJXSSGESPJJJ-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)ccc1C(=O)[O-] ZINC000737279388 598867805 /nfs/dbraw/zinc/86/78/05/598867805.db2.gz BNCHUCZOXJPSQV-UHFFFAOYSA-N -3 3 393.812 2.328 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)ccc1C(=O)[O-] ZINC000737279388 598867806 /nfs/dbraw/zinc/86/78/06/598867806.db2.gz BNCHUCZOXJPSQV-UHFFFAOYSA-N -3 3 393.812 2.328 20 0 GEADHL O=S(=O)([N-]c1nc2ccsc2s1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738339528 598911994 /nfs/dbraw/zinc/91/19/94/598911994.db2.gz NVITVCGXJYAQHI-UHFFFAOYSA-N -2 3 382.427 2.478 20 0 GEADHL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2C)c(F)c1 ZINC000819818087 607254716 /nfs/dbraw/zinc/25/47/16/607254716.db2.gz QCZCVKTWMYAPPU-UHFFFAOYSA-N -2 3 390.400 2.073 20 0 GEADHL Cc1ccc(CCCC(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000737336969 598975415 /nfs/dbraw/zinc/97/54/15/598975415.db2.gz BGMKDHHWKLXCRE-UHFFFAOYSA-N -2 3 399.476 2.311 20 0 GEADHL Cc1ccc(CCCC(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000737336969 598975417 /nfs/dbraw/zinc/97/54/17/598975417.db2.gz BGMKDHHWKLXCRE-UHFFFAOYSA-N -2 3 399.476 2.311 20 0 GEADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cn1)c1ccc(F)cc1C(F)(F)F ZINC000823583096 599234218 /nfs/dbraw/zinc/23/42/18/599234218.db2.gz HPTQBVZARNBDQS-UHFFFAOYSA-N -2 3 388.306 2.220 20 0 GEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1ccc(F)cc1C(F)(F)F ZINC000823583096 599234219 /nfs/dbraw/zinc/23/42/19/599234219.db2.gz HPTQBVZARNBDQS-UHFFFAOYSA-N -2 3 388.306 2.220 20 0 GEADHL Cc1cc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)ccc1C(=O)[O-] ZINC000821023763 598022936 /nfs/dbraw/zinc/02/29/36/598022936.db2.gz KHGBMFVULDRVJD-UHFFFAOYSA-N -2 3 383.404 2.389 20 0 GEADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CCCCC(=O)[O-] ZINC000274965860 598226895 /nfs/dbraw/zinc/22/68/95/598226895.db2.gz VOKRPGHOGFVZQG-UHFFFAOYSA-N -2 3 384.223 2.130 20 0 GEADHL C[C@H](NC(=O)c1nn(-c2ccccc2F)cc1[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000736124738 598256651 /nfs/dbraw/zinc/25/66/51/598256651.db2.gz HRDQROWMZIEIAB-NSHDSACASA-N -2 3 393.382 2.388 20 0 GEADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1cc2c(cc1Cl)OCCO2 ZINC000486791831 598365886 /nfs/dbraw/zinc/36/58/86/598365886.db2.gz BSLCLPVZGVSXGZ-UHFFFAOYSA-N -2 3 393.812 2.092 20 0 GEADHL Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000737442197 598400197 /nfs/dbraw/zinc/40/01/97/598400197.db2.gz NLCUDIFOOJDKDQ-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000737442197 598400199 /nfs/dbraw/zinc/40/01/99/598400199.db2.gz NLCUDIFOOJDKDQ-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL Cn1nccc1S(=O)(=O)[N-]c1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737626498 598452305 /nfs/dbraw/zinc/45/23/05/598452305.db2.gz DPQFXEHOJQGVPQ-UHFFFAOYSA-N -2 3 397.420 2.193 20 0 GEADHL O=C(NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1)c1ccc([O-])c(Cl)c1 ZINC000738032678 598473855 /nfs/dbraw/zinc/47/38/55/598473855.db2.gz SETNYVAWVNYVSU-UHFFFAOYSA-N -2 3 399.842 2.020 20 0 GEADHL O=C(NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1)c1ccc([O-])c(Cl)c1 ZINC000738032678 598473856 /nfs/dbraw/zinc/47/38/56/598473856.db2.gz SETNYVAWVNYVSU-UHFFFAOYSA-N -2 3 399.842 2.020 20 0 GEADHL CC(C)c1ccc(S([O-])=CC(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735927836 598492260 /nfs/dbraw/zinc/49/22/60/598492260.db2.gz CRBNPHLIMNBCCM-HHHXNRCGSA-N -2 3 383.477 2.414 20 0 GEADHL CC(C)(C)c1ccccc1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000819958503 607356794 /nfs/dbraw/zinc/35/67/94/607356794.db2.gz MNZHKLIFYKRZQE-UHFFFAOYSA-N -2 3 399.476 2.424 20 0 GEADHL CC(C)(C)c1ccccc1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000819958503 607356796 /nfs/dbraw/zinc/35/67/96/607356796.db2.gz MNZHKLIFYKRZQE-UHFFFAOYSA-N -2 3 399.476 2.424 20 0 GEADHL CCc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736685623 598536322 /nfs/dbraw/zinc/53/63/22/598536322.db2.gz HZSVJQUQJRCVDY-ZDUSSCGKSA-N -2 3 399.476 2.179 20 0 GEADHL CCc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736685623 598536323 /nfs/dbraw/zinc/53/63/23/598536323.db2.gz HZSVJQUQJRCVDY-ZDUSSCGKSA-N -2 3 399.476 2.179 20 0 GEADHL Cc1c(NC(=O)c2nn(-c3ccccc3F)cc2[O-])cccc1-c1nn[n-]n1 ZINC000822115603 607361889 /nfs/dbraw/zinc/36/18/89/607361889.db2.gz GLDCFIMFGBUMBB-UHFFFAOYSA-N -2 3 379.355 2.458 20 0 GEADHL CC[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736334555 598784897 /nfs/dbraw/zinc/78/48/97/598784897.db2.gz VCBUDVQRQAQEMZ-OAHLLOKOSA-N -2 3 399.476 2.397 20 0 GEADHL CC[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736334555 598784898 /nfs/dbraw/zinc/78/48/98/598784898.db2.gz VCBUDVQRQAQEMZ-OAHLLOKOSA-N -2 3 399.476 2.397 20 0 GEADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000823392668 599301327 /nfs/dbraw/zinc/30/13/27/599301327.db2.gz RGEUOAZFZHCTGB-UHFFFAOYSA-N -3 3 379.785 2.019 20 0 GEADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000823392668 599301329 /nfs/dbraw/zinc/30/13/29/599301329.db2.gz RGEUOAZFZHCTGB-UHFFFAOYSA-N -3 3 379.785 2.019 20 0 GEADHL COC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)cc1Cl ZINC000736949809 599303852 /nfs/dbraw/zinc/30/38/52/599303852.db2.gz TYTJCKDLBNUMJO-UHFFFAOYSA-N -2 3 393.812 2.108 20 0 GEADHL COC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1Cl ZINC000736949809 599303854 /nfs/dbraw/zinc/30/38/54/599303854.db2.gz TYTJCKDLBNUMJO-UHFFFAOYSA-N -2 3 393.812 2.108 20 0 GEADHL CCCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC000821127832 599303900 /nfs/dbraw/zinc/30/39/00/599303900.db2.gz LWUORNCZXLBNRK-UHFFFAOYSA-N -2 3 390.473 2.267 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cnn1-c1ccccc1F ZINC000822122050 607376305 /nfs/dbraw/zinc/37/63/05/607376305.db2.gz JEKVGDAAMBFTNQ-UHFFFAOYSA-N -2 3 399.411 2.301 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cnn1-c1ccccc1F ZINC000822122050 607376307 /nfs/dbraw/zinc/37/63/07/607376307.db2.gz JEKVGDAAMBFTNQ-UHFFFAOYSA-N -2 3 399.411 2.301 20 0 GEADHL O=C(CC/C=C/c1ccccc1)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737825212 599618195 /nfs/dbraw/zinc/61/81/95/599618195.db2.gz MFAITJDOEDYFDU-RUDMXATFSA-N -2 3 383.433 2.165 20 0 GEADHL O=C(CC/C=C/c1ccccc1)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737825212 599618197 /nfs/dbraw/zinc/61/81/97/599618197.db2.gz MFAITJDOEDYFDU-RUDMXATFSA-N -2 3 383.433 2.165 20 0 GEADHL CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821050575 599621628 /nfs/dbraw/zinc/62/16/28/599621628.db2.gz SDEYYRCUAYLHTM-CYBMUJFWSA-N -2 3 379.486 2.419 20 0 GEADHL CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821050575 599621629 /nfs/dbraw/zinc/62/16/29/599621629.db2.gz SDEYYRCUAYLHTM-CYBMUJFWSA-N -2 3 379.486 2.419 20 0 GEADHL Cc1cc(=O)[n-]c(-c2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)cc2)n1 ZINC000738314838 599842125 /nfs/dbraw/zinc/84/21/25/599842125.db2.gz SYEDNLMWSAHONH-UHFFFAOYSA-N -3 3 391.430 2.306 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCOc2cccc3cccnc32)o1 ZINC000740175292 599938394 /nfs/dbraw/zinc/93/83/94/599938394.db2.gz LYDINBIYHQMWTM-UHFFFAOYSA-N -2 3 376.390 2.273 20 0 GEADHL COC(=O)c1sc2[n-]c(CN3CCC(C)(C)CC3)nc(=O)c2c1CC(=O)[O-] ZINC000737723387 599995395 /nfs/dbraw/zinc/99/53/95/599995395.db2.gz JMULWGMBBINHLF-UHFFFAOYSA-N -2 3 393.465 2.020 20 0 GEADHL O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])C2 ZINC000740189582 600104158 /nfs/dbraw/zinc/10/41/58/600104158.db2.gz TWFJDJGVEUUSAP-KRWDZBQOSA-N -2 3 380.400 2.237 20 0 GEADHL CC[C@]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1)(C(=O)OC)c1ccccc1 ZINC000736919974 600135463 /nfs/dbraw/zinc/13/54/63/600135463.db2.gz FOTJIKMWYJXMNC-GOSISDBHSA-N -2 3 377.418 2.142 20 0 GEADHL CC[C@@]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)(C(=O)OC)c1ccccc1 ZINC000736924742 600137182 /nfs/dbraw/zinc/13/71/82/600137182.db2.gz OPIGIODLVGQJFX-SFHVURJKSA-N -2 3 377.418 2.142 20 0 GEADHL Cc1cc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)c(C(=O)[O-])[nH]1 ZINC000738448889 600253859 /nfs/dbraw/zinc/25/38/59/600253859.db2.gz TZBVYLTXACDPAW-UHFFFAOYSA-N -2 3 383.401 2.099 20 0 GEADHL O=C([O-])Cn1cc([N-]S(=O)(=O)/C=C\c2ccccc2Br)cn1 ZINC000739912035 600530396 /nfs/dbraw/zinc/53/03/96/600530396.db2.gz VBTVOOMZDGDGAF-WAYWQWQTSA-N -2 3 386.227 2.143 20 0 GEADHL O=C([O-])N1CCC[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000739386020 600537139 /nfs/dbraw/zinc/53/71/39/600537139.db2.gz HSXMHKPJUPCBME-JTQLQIEISA-N -2 3 394.225 2.163 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(C)=O)c2)cc1C(=O)[O-] ZINC000042122933 600542016 /nfs/dbraw/zinc/54/20/16/600542016.db2.gz XGYVSRYGZSRSAE-UHFFFAOYSA-N -2 3 382.369 2.292 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)c(C)c2)cc1C(=O)[O-] ZINC000042791993 600542529 /nfs/dbraw/zinc/54/25/29/600542529.db2.gz NLXYGVVPRZXCSH-UHFFFAOYSA-N -2 3 378.406 2.461 20 0 GEADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F)[C@H]1CCCO1 ZINC000736665797 600632794 /nfs/dbraw/zinc/63/27/94/600632794.db2.gz ZGRNSFUHDJKIMK-WRWORJQWSA-N -2 3 396.234 2.132 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2cscn2)c(F)cc1Br ZINC000740087630 600634159 /nfs/dbraw/zinc/63/41/59/600634159.db2.gz IWXLPMBHOIGJGT-UHFFFAOYSA-N -2 3 395.231 2.221 20 0 GEADHL COC(=O)c1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c(F)cc1F ZINC000324641610 600673172 /nfs/dbraw/zinc/67/31/72/600673172.db2.gz IQBCXCZRROFAFW-UHFFFAOYSA-N -2 3 377.346 2.312 20 0 GEADHL C[C@@H]1CCc2c(sc(NC(=O)Cn3cc(Cl)c(=O)[n-]c3=O)c2C(=O)[O-])C1 ZINC000828311430 600900697 /nfs/dbraw/zinc/90/06/97/600900697.db2.gz XSDJWXNSZNSUOP-SSDOTTSWSA-N -2 3 397.840 2.126 20 0 GEADHL COc1ccc(OCCS(=O)(=O)[N-]c2ccc3[nH]nc(C(=O)[O-])c3c2)cc1 ZINC000738049993 601047585 /nfs/dbraw/zinc/04/75/85/601047585.db2.gz VRYXKTGVEXMUQK-UHFFFAOYSA-N -2 3 391.405 2.090 20 0 GEADHL CC(C)(C(=O)[O-])c1ccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)cc1 ZINC000826122685 601094664 /nfs/dbraw/zinc/09/46/64/601094664.db2.gz JRZFUHHNNZLRQT-UHFFFAOYSA-N -2 3 385.420 2.306 20 0 GEADHL Cc1oc(S(=O)(=O)[N-]Cc2cccnc2OCC(F)(F)F)cc1C(=O)[O-] ZINC000833027093 601216484 /nfs/dbraw/zinc/21/64/84/601216484.db2.gz OVIGSWBGPAPFPX-UHFFFAOYSA-N -2 3 394.327 2.101 20 0 GEADHL Cc1oc(S(=O)(=O)[N-]Cc2ccnc(N3CCCCC3)c2)cc1C(=O)[O-] ZINC000833027430 601217238 /nfs/dbraw/zinc/21/72/38/601217238.db2.gz SYEODYKGLMITFR-UHFFFAOYSA-N -2 3 379.438 2.150 20 0 GEADHL COc1ccccc1N1CCC([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)CC1 ZINC000832623434 601219199 /nfs/dbraw/zinc/21/91/99/601219199.db2.gz PUBXNDYATKQDSH-UHFFFAOYSA-N -2 3 394.449 2.242 20 0 GEADHL COc1cccc(N2CC[C@@H](C[N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)o3)C2)c1 ZINC000832563389 601220141 /nfs/dbraw/zinc/22/01/41/601220141.db2.gz ZKWMYOAQHKPSET-ZDUSSCGKSA-N -2 3 394.449 2.100 20 0 GEADHL Cc1ccc([C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)N2CCCC2)o1 ZINC000832924163 601220163 /nfs/dbraw/zinc/22/01/63/601220163.db2.gz XPDAODJZXDTRKG-CQSZACIVSA-N -2 3 382.438 2.303 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCN(c3ccccc3Cl)C2=O)cc1C(=O)[O-] ZINC000833028402 601221613 /nfs/dbraw/zinc/22/16/13/601221613.db2.gz NISROSYYWDDCTJ-GFCCVEGCSA-N -2 3 398.824 2.023 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCN(c3ccccc3Cl)C2=O)cc1C(=O)[O-] ZINC000833028404 601221644 /nfs/dbraw/zinc/22/16/44/601221644.db2.gz NISROSYYWDDCTJ-LBPRGKRZSA-N -2 3 398.824 2.023 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCN(c3cccc(Cl)c3)C2=O)cc1C(=O)[O-] ZINC000833027117 601225804 /nfs/dbraw/zinc/22/58/04/601225804.db2.gz CFGRKKQKIHFBDX-CYBMUJFWSA-N -2 3 398.824 2.023 20 0 GEADHL CCN1CCN(c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)o3)cc2)CC1 ZINC000829781451 601230166 /nfs/dbraw/zinc/23/01/66/601230166.db2.gz XIHOQKOUBOUIOF-UHFFFAOYSA-N -2 3 393.465 2.229 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2ccc(OCC3CC3)nc2)c1F ZINC000833294324 601234412 /nfs/dbraw/zinc/23/44/12/601234412.db2.gz QPARSSXZRYYQBM-UHFFFAOYSA-N -2 3 398.387 2.325 20 0 GEADHL COc1ccc(CC[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cc1F ZINC000832304601 601235055 /nfs/dbraw/zinc/23/50/55/601235055.db2.gz QXVOXBHLGFHAET-UHFFFAOYSA-N -2 3 389.351 2.332 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H]2CCN(c3ccccc3)C2)c1F ZINC000833294864 601235371 /nfs/dbraw/zinc/23/53/71/601235371.db2.gz JFENKAQJMQUBEC-NSHDSACASA-N -2 3 382.388 2.220 20 0 GEADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CO3)c1C ZINC000032532613 601318566 /nfs/dbraw/zinc/31/85/66/601318566.db2.gz HYJVZGUVWNVOTN-UHFFFAOYSA-N -2 3 376.390 2.133 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)ccc1F ZINC000013060412 601318653 /nfs/dbraw/zinc/31/86/53/601318653.db2.gz MNVOPSIXMWJTKE-UHFFFAOYSA-N -2 3 378.381 2.452 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(N3CCOC3=O)cc2)cc1C(=O)[O-] ZINC000743266440 601334416 /nfs/dbraw/zinc/33/44/16/601334416.db2.gz MQJDHKCYZJQJNE-UHFFFAOYSA-N -2 3 376.390 2.451 20 0 GEADHL COc1cc(F)c([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cc1OC ZINC000832011407 601383973 /nfs/dbraw/zinc/38/39/73/601383973.db2.gz XFZGMEDMZJXQPR-UHFFFAOYSA-N -2 3 390.776 2.390 20 0 GEADHL CC(C)[C@@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000826747443 601399021 /nfs/dbraw/zinc/39/90/21/601399021.db2.gz MZYIBFPQMYCLSL-BONVTDFDSA-N -2 3 377.409 2.393 20 0 GEADHL CC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000828671452 601479439 /nfs/dbraw/zinc/47/94/39/601479439.db2.gz DDWKWSJOPHBIGE-AWEZNQCLSA-N -2 3 380.825 2.359 20 0 GEADHL CC[C@@H]1CCCCN1Cc1nc(=O)c2c(CC(=O)[O-])c(C(=O)OC)sc2[n-]1 ZINC000829118547 601549503 /nfs/dbraw/zinc/54/95/03/601549503.db2.gz JEKMIXZPGVGLGY-SNVBAGLBSA-N -2 3 393.465 2.163 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCc2nc(-c3ccncc3)cs2)o1 ZINC000833323223 601585540 /nfs/dbraw/zinc/58/55/40/601585540.db2.gz KNBPSUREDIUMOZ-UHFFFAOYSA-N -2 3 379.419 2.017 20 0 GEADHL CCCCC[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)C(=O)[O-] ZINC000829332922 601644128 /nfs/dbraw/zinc/64/41/28/601644128.db2.gz DWLUUBBBSSMBOZ-CQSZACIVSA-N -2 3 388.461 2.276 20 0 GEADHL O=C([O-])[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C1CCCCC1 ZINC000833124171 601748727 /nfs/dbraw/zinc/74/87/27/601748727.db2.gz OTUKNKWWKKZDPE-MRXNPFEDSA-N -2 3 398.456 2.030 20 0 GEADHL O=C([O-])C[C@H](NC(=O)CNC(=O)c1ccc([O-])cc1)c1ccc(Cl)cc1 ZINC000833266087 601760454 /nfs/dbraw/zinc/76/04/54/601760454.db2.gz VPJWNMAEHDCADM-HNNXBMFYSA-N -2 3 376.796 2.108 20 0 GEADHL COC(=O)c1cc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c(F)cc1F ZINC000831327725 601855890 /nfs/dbraw/zinc/85/58/90/601855890.db2.gz MQEHTMNMRIGWDB-UHFFFAOYSA-N -2 3 389.307 2.390 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)c1-c1nnn[n-]1 ZINC000826303774 607534817 /nfs/dbraw/zinc/53/48/17/607534817.db2.gz DUGFLOZHBCFLJC-UHFFFAOYSA-N -2 3 398.448 2.103 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)c1-c1nn[n-]n1 ZINC000826303774 607534818 /nfs/dbraw/zinc/53/48/18/607534818.db2.gz DUGFLOZHBCFLJC-UHFFFAOYSA-N -2 3 398.448 2.103 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCCCC[C@H]2C(=O)[O-])s1 ZINC000547616270 601991459 /nfs/dbraw/zinc/99/14/59/601991459.db2.gz ZOMDRFCQRYNKCZ-MNOVXSKESA-N -2 3 375.468 2.237 20 0 GEADHL COc1ccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)cc1 ZINC000315102579 602140199 /nfs/dbraw/zinc/14/01/99/602140199.db2.gz WXCSPTDKELJBGY-UHFFFAOYSA-N -2 3 390.211 2.227 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCc2ccc(F)cc2)c(Br)o1 ZINC000238003915 602140243 /nfs/dbraw/zinc/14/02/43/602140243.db2.gz VSXVEOAWZGOIPI-UHFFFAOYSA-N -2 3 392.202 2.400 20 0 GEADHL CO[C@@]1(C)C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)C1(C)C ZINC000761317562 602160912 /nfs/dbraw/zinc/16/09/12/602160912.db2.gz FERAZHQNDZSKPT-ZANVPECISA-N -2 3 396.259 2.222 20 0 GEADHL CCc1cc(=O)[n-]c(CN2CCN([C@@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)n1 ZINC000830224390 602235638 /nfs/dbraw/zinc/23/56/38/602235638.db2.gz MRGRTHZQQVLAMQ-GOSISDBHSA-N -2 3 390.871 2.342 20 0 GEADHL O=C([O-])c1cccc(F)c1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000833304024 602302249 /nfs/dbraw/zinc/30/22/49/602302249.db2.gz KXXLWONGZARIBE-UHFFFAOYSA-N -3 3 375.280 2.301 20 0 GEADHL Cc1ccc(C(=O)NCCC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c([O-])c1 ZINC000832912114 602323769 /nfs/dbraw/zinc/32/37/69/602323769.db2.gz VDQQHTOAVLGEFZ-LIRRHRJNSA-N -2 3 384.432 2.399 20 0 GEADHL CC(C)c1ccc([C@@H](CNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)NC(=O)[O-])cc1 ZINC000738883197 602574321 /nfs/dbraw/zinc/57/43/21/602574321.db2.gz PACUWSMKVQKYDG-QGZVFWFLSA-N -2 3 395.415 2.432 20 0 GEADHL CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(NC(=O)[O-])ccc2F)cc1 ZINC000739996324 602653023 /nfs/dbraw/zinc/65/30/23/602653023.db2.gz BCXVTEXHNUTKBV-UHFFFAOYSA-N -2 3 388.398 2.120 20 0 GEADHL Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cc(NC(=O)[O-])ccc3F)cc12 ZINC000740256489 602654819 /nfs/dbraw/zinc/65/48/19/602654819.db2.gz PADKKCPAGCMLOE-UHFFFAOYSA-N -2 3 379.373 2.307 20 0 GEADHL O=C([O-])NCCc1ccc(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1 ZINC000740672851 602668062 /nfs/dbraw/zinc/66/80/62/602668062.db2.gz YNWHHYKDPFBXIL-UHFFFAOYSA-N -2 3 388.367 2.393 20 0 GEADHL O=C([O-])Nc1ccc(C(=O)NCCNC(=O)c2ccc([O-])cc2)c(Cl)c1 ZINC000740699423 602851546 /nfs/dbraw/zinc/85/15/46/602851546.db2.gz QQSDWOWGJLUHGS-UHFFFAOYSA-N -2 3 377.784 2.295 20 0 GEADHL COc1ccc(-c2nc([N-]C(=O)c3ccc(CNC(=O)[O-])o3)n[nH]2)cc1OC ZINC000829250301 602952742 /nfs/dbraw/zinc/95/27/42/602952742.db2.gz LDAMIOBNQVGUON-UHFFFAOYSA-N -2 3 387.352 2.102 20 0 GEADHL O=C([O-])NC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000832483633 603125867 /nfs/dbraw/zinc/12/58/67/603125867.db2.gz SOZSKTVQHFKCRO-YUMQZZPRSA-N -2 3 383.289 2.225 20 0 GEADHL O=C([O-])N[C@H]1CCCCCC[C@H]1C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000832357634 603931576 /nfs/dbraw/zinc/93/15/76/603931576.db2.gz GXQPMDPHJJVXCE-NEPJUHHUSA-N -2 3 382.438 2.154 20 0 GEADHL O=C([O-])NC[C@H]1CCC[C@@H]1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000832476719 604279223 /nfs/dbraw/zinc/27/92/23/604279223.db2.gz YCBXYLFBPKXLHJ-PWSUYJOCSA-N -2 3 386.246 2.390 20 0 GEADHL O=C([O-])N(CCCNC(=O)NCc1ccc([O-])c(Br)c1)C1CC1 ZINC000831671626 604281551 /nfs/dbraw/zinc/28/15/51/604281551.db2.gz CUYFHFVZMDQBNX-UHFFFAOYSA-N -2 3 386.246 2.486 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2cccc3c2OCCCO3)c1F ZINC000833294848 604411934 /nfs/dbraw/zinc/41/19/34/604411934.db2.gz XPLDYFMSNPDONI-UHFFFAOYSA-N -2 3 399.371 2.303 20 0 GEADHL O=C([O-])CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000833774994 604505430 /nfs/dbraw/zinc/50/54/30/604505430.db2.gz QPYJHTYCGJSILC-UHFFFAOYSA-N -3 3 383.353 2.178 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2cccc(-n3cnnc3C)c2)cc1C(=O)[O-] ZINC000535600058 604508703 /nfs/dbraw/zinc/50/87/03/604508703.db2.gz YHOJUHXNIOTPJC-UHFFFAOYSA-N -2 3 388.405 2.083 20 0 GEADHL O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000507628397 604766598 /nfs/dbraw/zinc/76/65/98/604766598.db2.gz FCTQTAKIVMFFNX-UHFFFAOYSA-N -3 3 383.353 2.178 20 0 GEADHL C[C@H](NC(=O)[O-])[C@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CCO1 ZINC000825327800 604770830 /nfs/dbraw/zinc/77/08/30/604770830.db2.gz SEIUKULRCNGAMG-IFXJQAMLSA-N -2 3 384.432 2.480 20 0 GEADHL O=C([O-])COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1Cl ZINC000833259760 604807284 /nfs/dbraw/zinc/80/72/84/604807284.db2.gz WPXCBHZMYCAZAM-UHFFFAOYSA-N -3 3 385.781 2.302 20 0 GEADHL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-] ZINC000547551828 604872810 /nfs/dbraw/zinc/87/28/10/604872810.db2.gz PRNUFRZNUAJWDD-JTQLQIEISA-N -2 3 384.332 2.391 20 0 GEADHL CCC[C@@H]([N-]S(=O)(=O)c1cc(Br)cc(F)c1OC)C(=O)[O-] ZINC000764917584 605011546 /nfs/dbraw/zinc/01/15/46/605011546.db2.gz VIOCHQKJGNKOCL-SECBINFHSA-N -2 3 384.223 2.128 20 0 GEADHL C[C@H]1CN(C(=O)NCc2ccc([O-])c(Br)c2)CC[C@@H]1NC(=O)[O-] ZINC000826008116 605190378 /nfs/dbraw/zinc/19/03/78/605190378.db2.gz SLQIINZUNFHETB-CABZTGNLSA-N -2 3 386.246 2.342 20 0 GEADHL C[C@H]1CN(C(=O)NCc2ccc([O-])c(Br)c2)CC[C@H]1NC(=O)[O-] ZINC000826008117 605190519 /nfs/dbraw/zinc/19/05/19/605190519.db2.gz SLQIINZUNFHETB-JOYOIKCWSA-N -2 3 386.246 2.342 20 0 GEADHL CC1(C)C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)C(C)(C)O1 ZINC000833557211 605298463 /nfs/dbraw/zinc/29/84/63/605298463.db2.gz QBIGJOUHYNBASW-VIFPVBQESA-N -2 3 396.259 2.365 20 0 GEADHL O=C([O-])NCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)cc1 ZINC000834245966 605306559 /nfs/dbraw/zinc/30/65/59/605306559.db2.gz SPMHRXLCVJUQRS-UHFFFAOYSA-N -2 3 378.406 2.164 20 0 GEADHL C[N-]S(=O)(=O)c1cc(C(=O)OCc2cccc(NC(=O)[O-])c2)ccc1F ZINC000828579791 605549793 /nfs/dbraw/zinc/54/97/93/605549793.db2.gz QBGUBXNHNZVEDV-UHFFFAOYSA-N -2 3 382.369 2.181 20 0 GEADHL O=C([O-])N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000834251834 605877951 /nfs/dbraw/zinc/87/79/51/605877951.db2.gz QZGJICDJEARJGW-HNNXBMFYSA-N -2 3 391.391 2.165 20 0 GEADHL Cc1cc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)ccc1NC(=O)[O-] ZINC000829929947 605881400 /nfs/dbraw/zinc/88/14/00/605881400.db2.gz FXPIJWPESYIINN-UHFFFAOYSA-N -2 3 383.404 2.389 20 0 GEADHL COc1cc(C(=O)N2CCC(N(CC3CC3)C(=O)[O-])CC2)cc(OC)c1[O-] ZINC000833886070 605940826 /nfs/dbraw/zinc/94/08/26/605940826.db2.gz RIAUCEJBMVOEAR-UHFFFAOYSA-N -2 3 378.425 2.404 20 0 GEADHL Cc1ccc(-n2[n-]c(C(=O)N[C@H](C)c3cccc(-c4nnn[n-]4)c3)cc2=O)cc1 ZINC000822223750 606026773 /nfs/dbraw/zinc/02/67/73/606026773.db2.gz IYWAQQQWLHZDOF-CYBMUJFWSA-N -2 3 389.419 2.145 20 0 GEADHL Cc1ccc(-n2[n-]c(C(=O)N[C@H](C)c3cccc(-c4nn[n-]n4)c3)cc2=O)cc1 ZINC000822223750 606026779 /nfs/dbraw/zinc/02/67/79/606026779.db2.gz IYWAQQQWLHZDOF-CYBMUJFWSA-N -2 3 389.419 2.145 20 0 GEADHL COc1ccc(C)nc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000821782785 606180626 /nfs/dbraw/zinc/18/06/26/606180626.db2.gz NUTYGYRSBXIRTN-UHFFFAOYSA-N -2 3 380.817 2.033 20 0 GEADHL COc1ccc(C)nc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000821782785 606180628 /nfs/dbraw/zinc/18/06/28/606180628.db2.gz NUTYGYRSBXIRTN-UHFFFAOYSA-N -2 3 380.817 2.033 20 0 GEADHL Cc1ccc(F)c(-n2cc([O-])c(C(=O)NCc3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC000822239974 606196968 /nfs/dbraw/zinc/19/69/68/606196968.db2.gz MYHCKEZGRLKDFK-UHFFFAOYSA-N -2 3 393.382 2.136 20 0 GEADHL C[C@H](OC(=O)c1cc(F)c([O-])c(F)c1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820508679 606310365 /nfs/dbraw/zinc/31/03/65/606310365.db2.gz VBJCPJMFGOXDAW-QMMMGPOBSA-N -2 3 389.318 2.035 20 0 GEADHL C[C@H](OC(=O)c1cc(F)c([O-])c(F)c1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820508679 606310367 /nfs/dbraw/zinc/31/03/67/606310367.db2.gz VBJCPJMFGOXDAW-QMMMGPOBSA-N -2 3 389.318 2.035 20 0 GEADHL C[C@@H](OC(=O)c1cc(F)c([O-])c(F)c1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820508678 606310491 /nfs/dbraw/zinc/31/04/91/606310491.db2.gz VBJCPJMFGOXDAW-MRVPVSSYSA-N -2 3 389.318 2.035 20 0 GEADHL C[C@@H](OC(=O)c1cc(F)c([O-])c(F)c1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820508678 606310492 /nfs/dbraw/zinc/31/04/92/606310492.db2.gz VBJCPJMFGOXDAW-MRVPVSSYSA-N -2 3 389.318 2.035 20 0 GEADHL O=S(=O)([N-]c1ccc(F)cn1)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823589193 606359107 /nfs/dbraw/zinc/35/91/07/606359107.db2.gz RZQMDPKSOCBHEY-UHFFFAOYSA-N -2 3 388.306 2.220 20 0 GEADHL O=S(=O)([N-]c1ccc(F)cn1)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823589193 606359108 /nfs/dbraw/zinc/35/91/08/606359108.db2.gz RZQMDPKSOCBHEY-UHFFFAOYSA-N -2 3 388.306 2.220 20 0 GEADHL CC(C)CCCCCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000820072250 606394960 /nfs/dbraw/zinc/39/49/60/606394960.db2.gz CURJCAJRILDIPN-UHFFFAOYSA-N -2 3 379.486 2.419 20 0 GEADHL CC(C)CCCCCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000820072250 606394961 /nfs/dbraw/zinc/39/49/61/606394961.db2.gz CURJCAJRILDIPN-UHFFFAOYSA-N -2 3 379.486 2.419 20 0 GEADHL CC(C)CCCCCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000820073904 606394977 /nfs/dbraw/zinc/39/49/77/606394977.db2.gz WSFONGHNNZMQQJ-UHFFFAOYSA-N -2 3 379.486 2.419 20 0 GEADHL CC(C)CCCCCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000820073904 606394978 /nfs/dbraw/zinc/39/49/78/606394978.db2.gz WSFONGHNNZMQQJ-UHFFFAOYSA-N -2 3 379.486 2.419 20 0 GEADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1nnc(CC(C)C)s1 ZINC000822152344 606468637 /nfs/dbraw/zinc/46/86/37/606468637.db2.gz HEBJRPMXNICSLX-UHFFFAOYSA-N -2 3 379.471 2.026 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1nnc(CC(C)C)s1 ZINC000822152344 606468639 /nfs/dbraw/zinc/46/86/39/606468639.db2.gz HEBJRPMXNICSLX-UHFFFAOYSA-N -2 3 379.471 2.026 20 0 GEADHL CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000821309548 606599918 /nfs/dbraw/zinc/59/99/18/606599918.db2.gz OXQHIAPJHUKFRR-UHFFFAOYSA-N -2 3 380.380 2.378 20 0 GEADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000821589507 606751346 /nfs/dbraw/zinc/75/13/46/606751346.db2.gz QPTFJDJZOPDDNC-UHFFFAOYSA-N -2 3 380.380 2.012 20 0 GEADHL Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(N(C)C)ccc2-c2nn[n-]n2)c1 ZINC000822241491 606751477 /nfs/dbraw/zinc/75/14/77/606751477.db2.gz XZVQXUNVDNLMGW-UHFFFAOYSA-N -2 3 376.417 2.181 20 0 GEADHL CCc1ccc([N-]S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c(C(=O)[O-])c1 ZINC000821486562 606764589 /nfs/dbraw/zinc/76/45/89/606764589.db2.gz GKHFLQYXSLKBDW-UHFFFAOYSA-N -3 3 391.384 2.067 20 0 GEADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cn1 ZINC000820173601 606865664 /nfs/dbraw/zinc/86/56/64/606865664.db2.gz JDTVBSOKNJANEI-UHFFFAOYSA-N -2 3 396.379 2.128 20 0 GEADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cn1 ZINC000820173601 606865666 /nfs/dbraw/zinc/86/56/66/606865666.db2.gz JDTVBSOKNJANEI-UHFFFAOYSA-N -2 3 396.379 2.128 20 0 GEADHL C[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820254463 606882442 /nfs/dbraw/zinc/88/24/42/606882442.db2.gz PVBKCJWFNIUBHU-NSHDSACASA-N -2 3 393.419 2.445 20 0 GEADHL C[C@@H](CCc1ccco1)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820254781 606884347 /nfs/dbraw/zinc/88/43/47/606884347.db2.gz WZHKRMSHJHNTJV-VIFPVBQESA-N -2 3 383.380 2.038 20 0 GEADHL O=S(=O)([N-]C/C=C\c1ccccc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572897 606890919 /nfs/dbraw/zinc/89/09/19/606890919.db2.gz OOWVCJOTEWSSSF-DAXSKMNVSA-N -2 3 377.376 2.137 20 0 GEADHL CC(C)[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccn1 ZINC000820027813 606891553 /nfs/dbraw/zinc/89/15/53/606891553.db2.gz UKZPPSLRBIRHPU-AWEZNQCLSA-N -2 3 394.407 2.216 20 0 GEADHL C[C@H](C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)Cc1cccs1 ZINC000820275732 606893169 /nfs/dbraw/zinc/89/31/69/606893169.db2.gz RCWBFDFQWHMCJE-VIFPVBQESA-N -2 3 399.448 2.364 20 0 GEADHL Cc1cc(Cl)cc(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000822201882 606922961 /nfs/dbraw/zinc/92/29/61/606922961.db2.gz ACWVZTMXQWDLQW-UHFFFAOYSA-N -2 3 391.840 2.256 20 0 GEADHL Cc1cc(Cl)cc(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000822201882 606922963 /nfs/dbraw/zinc/92/29/63/606922963.db2.gz ACWVZTMXQWDLQW-UHFFFAOYSA-N -2 3 391.840 2.256 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cc1C(F)(F)F ZINC000822266587 607026547 /nfs/dbraw/zinc/02/65/47/607026547.db2.gz DRABTQKSWVGJAP-UHFFFAOYSA-N -2 3 390.372 2.451 20 0 GEADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000820542174 607110293 /nfs/dbraw/zinc/11/02/93/607110293.db2.gz LROZBKUUKVYBAI-LBPRGKRZSA-N -2 3 381.392 2.290 20 0 GEADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000820542174 607110294 /nfs/dbraw/zinc/11/02/94/607110294.db2.gz LROZBKUUKVYBAI-LBPRGKRZSA-N -2 3 381.392 2.290 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)c(Cl)cc1F ZINC000822211890 607155313 /nfs/dbraw/zinc/15/53/13/607155313.db2.gz SAZQAMDUGXFVGN-UHFFFAOYSA-N -2 3 383.792 2.474 20 0 GEADHL O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)c1cc(F)cc(Cl)c1[O-] ZINC000823215103 607209902 /nfs/dbraw/zinc/20/99/02/607209902.db2.gz HGRDIPWTJOAEGL-UHFFFAOYSA-N -2 3 377.763 2.174 20 0 GEADHL CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000824136668 607780052 /nfs/dbraw/zinc/78/00/52/607780052.db2.gz URXIHSJZAMYDQF-UHFFFAOYSA-N -2 3 391.478 2.344 20 0 GEADHL CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000824136668 607780053 /nfs/dbraw/zinc/78/00/53/607780053.db2.gz URXIHSJZAMYDQF-UHFFFAOYSA-N -2 3 391.478 2.344 20 0 GEADHL CC1(C)CCC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)C1 ZINC000824801746 607922299 /nfs/dbraw/zinc/92/22/99/607922299.db2.gz HWIRISKBDCMJHX-LBPRGKRZSA-N -2 3 377.470 2.029 20 0 GEADHL CC1(C)CCC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)C1 ZINC000824801746 607922300 /nfs/dbraw/zinc/92/23/00/607922300.db2.gz HWIRISKBDCMJHX-LBPRGKRZSA-N -2 3 377.470 2.029 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cncc(Br)c1 ZINC000826280276 607933031 /nfs/dbraw/zinc/93/30/31/607933031.db2.gz VSBUZEJDZZYBIE-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL CC(C)Cn1ncc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1C(F)F ZINC000824284385 608016724 /nfs/dbraw/zinc/01/67/24/608016724.db2.gz HLEMFBUXBFDNEG-UHFFFAOYSA-N -2 3 397.411 2.458 20 0 GEADHL CC(C)Cn1ncc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1C(F)F ZINC000824284385 608016725 /nfs/dbraw/zinc/01/67/25/608016725.db2.gz HLEMFBUXBFDNEG-UHFFFAOYSA-N -2 3 397.411 2.458 20 0 GEADHL CCCC(=CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)CCC ZINC000825219737 608193830 /nfs/dbraw/zinc/19/38/30/608193830.db2.gz MERDOYMKOHWISJ-UHFFFAOYSA-N -2 3 377.470 2.339 20 0 GEADHL CCCC(=CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)CCC ZINC000825219737 608193831 /nfs/dbraw/zinc/19/38/31/608193831.db2.gz MERDOYMKOHWISJ-UHFFFAOYSA-N -2 3 377.470 2.339 20 0 GEADHL CC(C)c1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824214041 608493850 /nfs/dbraw/zinc/49/38/50/608493850.db2.gz DWLFXZGXEZVBOF-MRXNPFEDSA-N -2 3 389.419 2.480 20 0 GEADHL CC(C)c1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824214041 608493852 /nfs/dbraw/zinc/49/38/52/608493852.db2.gz DWLFXZGXEZVBOF-MRXNPFEDSA-N -2 3 389.419 2.480 20 0 GEADHL O=C(NC1CCC(Oc2ccc(-c3nnn[n-]3)cn2)CC1)c1ccc(F)cc1[O-] ZINC000826429706 608606776 /nfs/dbraw/zinc/60/67/76/608606776.db2.gz KXIAHVVFWGAHBX-UHFFFAOYSA-N -2 3 398.398 2.226 20 0 GEADHL O=C(NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1)c1ccc(F)cc1[O-] ZINC000826429706 608606779 /nfs/dbraw/zinc/60/67/79/608606779.db2.gz KXIAHVVFWGAHBX-UHFFFAOYSA-N -2 3 398.398 2.226 20 0 GEADHL C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC(C)(C)C1 ZINC000824864352 609142535 /nfs/dbraw/zinc/14/25/35/609142535.db2.gz AORVSLHSKHJODI-SWLSCSKDSA-N -2 3 391.497 2.275 20 0 GEADHL C[C@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC(C)(C)C1 ZINC000824864352 609142536 /nfs/dbraw/zinc/14/25/36/609142536.db2.gz AORVSLHSKHJODI-SWLSCSKDSA-N -2 3 391.497 2.275 20 0 GEADHL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000824384399 609468446 /nfs/dbraw/zinc/46/84/46/609468446.db2.gz BJBMGZJUHSLWCR-NSHDSACASA-N -3 3 387.421 2.246 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)nn1[C@@H](C)C1CC1 ZINC000826271494 609469462 /nfs/dbraw/zinc/46/94/62/609469462.db2.gz UMMGVOBNUMMJJQ-JTQLQIEISA-N -2 3 391.432 2.283 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)nn1[C@@H](C)C1CC1 ZINC000826271494 609469464 /nfs/dbraw/zinc/46/94/64/609469464.db2.gz UMMGVOBNUMMJJQ-JTQLQIEISA-N -2 3 391.432 2.283 20 0 GEADHL CC(C)(C)c1ncc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cn1 ZINC000824141088 609527714 /nfs/dbraw/zinc/52/77/14/609527714.db2.gz CLEVUCMBMBIBIV-UHFFFAOYSA-N -2 3 393.860 2.408 20 0 GEADHL CC(C)(C)c1ncc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cn1 ZINC000824141088 609527715 /nfs/dbraw/zinc/52/77/15/609527715.db2.gz CLEVUCMBMBIBIV-UHFFFAOYSA-N -2 3 393.860 2.408 20 0 GEADHL COC(=O)Cc1nnc([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)[n-]1 ZINC000460536763 650443308 /nfs/dbraw/zinc/44/33/08/650443308.db2.gz ZHBWWCJHPDJISE-UHFFFAOYSA-N -2 3 386.842 2.189 20 0 GEADHL CCC(C)(C)CS(=O)(=O)[N-]c1cc(S(=O)(=O)CC)ccc1C(=O)[O-] ZINC000530138580 650715318 /nfs/dbraw/zinc/71/53/18/650715318.db2.gz ZSIRPLDWLDBYLF-UHFFFAOYSA-N -2 3 377.484 2.356 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2Cl)s1 ZINC000530367712 650723189 /nfs/dbraw/zinc/72/31/89/650723189.db2.gz MSOMRYAOMIMNJQ-GFCCVEGCSA-N -2 3 389.838 2.292 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cn2)c(F)c1 ZINC000069674580 643038454 /nfs/dbraw/zinc/03/84/54/643038454.db2.gz IEAZQXSKAVDPDC-UHFFFAOYSA-N -2 3 379.822 2.046 20 0 GEADHL CC(=O)c1cc(S(=O)(=O)[N-][N-]C(=O)CCC(C)C)ccc1Br ZINC000179992259 644482492 /nfs/dbraw/zinc/48/24/92/644482492.db2.gz RBSPECCOARYTQI-UHFFFAOYSA-N -2 3 391.287 2.397 20 0 GEADHL CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000544849827 650956032 /nfs/dbraw/zinc/95/60/32/650956032.db2.gz ZTZJBDBHGHLHBY-QMMMGPOBSA-N -2 3 392.396 2.207 20 0 GEADHL Cc1cc(C)n(C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C(=O)[O-])n1 ZINC000547552701 651031571 /nfs/dbraw/zinc/03/15/71/651031571.db2.gz KHZOEJNXQMPKOT-LBPRGKRZSA-N -2 3 392.264 2.238 20 0 GEADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1cnn(C)c1 ZINC000547558972 651032271 /nfs/dbraw/zinc/03/22/71/651032271.db2.gz WGJIGHCDUBQCLT-ZDUSSCGKSA-N -2 3 383.813 2.232 20 0 GEADHL CC[C@](C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-] ZINC000547564312 651032956 /nfs/dbraw/zinc/03/29/56/651032956.db2.gz FSHMRIPUODBLKZ-GFCCVEGCSA-N -2 3 384.332 2.393 20 0 GEADHL CC[C@@](C)(C[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC)C(=O)[O-] ZINC000547563326 651033030 /nfs/dbraw/zinc/03/30/30/651033030.db2.gz SCBFIYJVIXWUCT-ZDUSSCGKSA-N -2 3 398.250 2.376 20 0 GEADHL CCn1nc(C)c(S(=O)(=O)[N-]c2cc(C)ccc2[N-]S(C)(=O)=O)c1C ZINC000266060096 645820919 /nfs/dbraw/zinc/82/09/19/645820919.db2.gz UVZFANDVHFYHFM-UHFFFAOYSA-N -2 3 386.499 2.001 20 0 GEADHL CCC[C@H](C)CS(=O)(=O)[N-]c1cc(S(=O)(=O)CC)ccc1C(=O)[O-] ZINC000547903731 651053743 /nfs/dbraw/zinc/05/37/43/651053743.db2.gz IKWGEQKCRHPGBN-NSHDSACASA-N -2 3 377.484 2.356 20 0 GEADHL CCS(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000327319439 647307208 /nfs/dbraw/zinc/30/72/08/647307208.db2.gz UJSNDRWOTLCQBK-UHFFFAOYSA-N -2 3 383.447 2.120 20 0 GEADHL CC(C)(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000548238823 651071165 /nfs/dbraw/zinc/07/11/65/651071165.db2.gz QUGFEUIWXUMGPC-SNVBAGLBSA-N -2 3 379.276 2.402 20 0 GEADHL CCC[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000548240949 651071423 /nfs/dbraw/zinc/07/14/23/651071423.db2.gz QBQRRBAXHGCNFW-MWLCHTKSSA-N -2 3 389.779 2.251 20 0 GEADHL C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000548261331 651073927 /nfs/dbraw/zinc/07/39/27/651073927.db2.gz BLGNLKRNLPTGNI-UWVGGRQHSA-N -2 3 379.276 2.402 20 0 GEADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1ccsc1 ZINC000548525514 651079039 /nfs/dbraw/zinc/07/90/39/651079039.db2.gz HWQUIQNRUNFFOI-LLVKDONJSA-N -2 3 387.410 2.168 20 0 GEADHL Cc1ncc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(Br)cc2)s1 ZINC000548533189 651079370 /nfs/dbraw/zinc/07/93/70/651079370.db2.gz FHPOWEOYWHRKAP-LLVKDONJSA-N -2 3 391.268 2.318 20 0 GEADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)c1cccc(SC)c1 ZINC000551107695 651118241 /nfs/dbraw/zinc/11/82/41/651118241.db2.gz ZCKZBGHPXUSNDE-UHFFFAOYSA-N -2 3 384.435 2.111 20 0 GEADHL CCC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1C(=O)OC)C(=O)[O-] ZINC000555456658 651226179 /nfs/dbraw/zinc/22/61/79/651226179.db2.gz TVZRVBSSZVJRGS-CMPLNLGQSA-N -2 3 375.418 2.170 20 0 GEADHL CCC[C@@H](O)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000560419696 651309233 /nfs/dbraw/zinc/30/92/33/651309233.db2.gz PVWSYQSBVGYHLK-KOLCDFICSA-N -2 3 389.779 2.251 20 0 GEADHL CCOc1ccc([C@H](C)[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1OC ZINC000645953011 651671118 /nfs/dbraw/zinc/67/11/18/651671118.db2.gz YBGGWIFWGUUULZ-VIFPVBQESA-N -2 3 386.451 2.288 20 0 GEADHL O=S(=O)(C[C@@H]1CCCCO1)[N-]c1cc(I)ccc1[O-] ZINC000611291125 651718420 /nfs/dbraw/zinc/71/84/20/651718420.db2.gz VLJHQIGIIHAHFV-JTQLQIEISA-N -2 3 397.234 2.308 20 0 GEADHL O=C([O-])[C@@H](Cc1ccncc1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000647928941 651766307 /nfs/dbraw/zinc/76/63/07/651766307.db2.gz YZBKMSATBKUNSH-GFCCVEGCSA-N -2 3 375.233 2.363 20 0 GEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cccc(C)c2)c1 ZINC000614320568 651821538 /nfs/dbraw/zinc/82/15/38/651821538.db2.gz KCJWYPKVVNEREA-CYBMUJFWSA-N -2 3 383.447 2.337 20 0 GEADHL C[C@H]([C@H]([N-]S(=O)(=O)c1cccc(Br)c1F)C(=O)[O-])C1CC1 ZINC000574055737 651998603 /nfs/dbraw/zinc/99/86/03/651998603.db2.gz KEOPWKMIVPQQAC-MADCSZMMSA-N -2 3 380.235 2.366 20 0 GEADHL CCOC(=O)c1nc([N-]S(=O)(=O)Cc2ccc(Br)cc2)c[n-]1 ZINC000618906926 652037821 /nfs/dbraw/zinc/03/78/21/652037821.db2.gz AMIDGWBKMQYHKK-UHFFFAOYSA-N -2 3 388.243 2.291 20 0 GEADHL O=C([O-])[C@@H](CN1CCCCC1)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000574920658 652052526 /nfs/dbraw/zinc/05/25/26/652052526.db2.gz ULABEQJQTMSLSF-GFCCVEGCSA-N -2 3 399.271 2.350 20 0 GEADHL COc1ccccc1C[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C(C)C ZINC000576396269 652113921 /nfs/dbraw/zinc/11/39/21/652113921.db2.gz CNSMNGCUSDNWPP-GFCCVEGCSA-N -2 3 384.479 2.396 20 0 GEADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)Cc1ccc(C)cc1F ZINC000579783537 652354150 /nfs/dbraw/zinc/35/41/50/652354150.db2.gz YSKKSFGJQMRXPY-UHFFFAOYSA-N -2 3 390.433 2.123 20 0 GEADHL C[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1ncc(C(=O)[O-])s1 ZINC000584351586 652518013 /nfs/dbraw/zinc/51/80/13/652518013.db2.gz RYUJWSRACIWAFN-ZCFIWIBFSA-N -2 3 381.357 2.295 20 0 GEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(Br)cc2C)c[n-]1 ZINC000585730901 652535417 /nfs/dbraw/zinc/53/54/17/652535417.db2.gz ONTGYUPQBXMXFM-UHFFFAOYSA-N -2 3 388.243 2.458 20 0 GEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(F)cc2Br)c[n-]1 ZINC000585730858 652535423 /nfs/dbraw/zinc/53/54/23/652535423.db2.gz IXVJXWHVIZTTRQ-UHFFFAOYSA-N -2 3 392.206 2.289 20 0 GEADHL COC1(CS(=O)(=O)[N-]c2cc(Br)cc(CC(=O)[O-])c2)CCC1 ZINC000634796772 652666961 /nfs/dbraw/zinc/66/69/61/652666961.db2.gz FIFOSDHXJOTIHA-UHFFFAOYSA-N -2 3 392.271 2.387 20 0 GEADHL O=C([O-])COc1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc1Br ZINC000670370191 652743607 /nfs/dbraw/zinc/74/36/07/652743607.db2.gz LVUHMDAKSLCDEI-DUXPYHPUSA-N -3 3 395.165 2.277 20 0 GEADHL COC1(CS(=O)(=O)[N-]c2cc(I)ccc2[O-])CCC1 ZINC000601977028 653135652 /nfs/dbraw/zinc/13/56/52/653135652.db2.gz IQDRJQDPATYSON-UHFFFAOYSA-N -2 3 397.234 2.308 20 0 GEADHL COc1cccc(C[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)C(=O)[O-])c1 ZINC000681560787 653185295 /nfs/dbraw/zinc/18/52/95/653185295.db2.gz KBQBELMSQOIJQD-AWEZNQCLSA-N -2 3 387.816 2.462 20 0 GEADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-]CCC[C@@H](C)C(=O)[O-] ZINC000776623281 653365811 /nfs/dbraw/zinc/36/58/11/653365811.db2.gz MKEBZPFEEQGBTQ-MRVPVSSYSA-N -2 3 398.250 2.376 20 0 GEADHL CCCc1ncc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)o1 ZINC000840894794 653698860 /nfs/dbraw/zinc/69/88/60/653698860.db2.gz VLFUPXJMHSOASQ-UHFFFAOYSA-N -2 3 388.829 2.466 20 0 GEADHL CC[C@H]1C[C@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)CCO1 ZINC000817573790 653714559 /nfs/dbraw/zinc/71/45/59/653714559.db2.gz RCUFDSPLKXBSSS-SFYZADRCSA-N -2 3 398.300 2.445 20 0 GEADHL CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000841777480 653740709 /nfs/dbraw/zinc/74/07/09/653740709.db2.gz DWOLCOSXBNRJTB-UHFFFAOYSA-N -2 3 385.667 2.419 20 0 GEADHL COC(=O)c1sc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CCC2)c(C)c1Cl ZINC000788439578 653756223 /nfs/dbraw/zinc/75/62/23/653756223.db2.gz BLIQYHDMJLHNOD-VIFPVBQESA-N -2 3 381.859 2.028 20 0 GEADHL COC(=O)c1sc(S(=O)(=O)[N-]C[C@H](C(=O)[O-])C(C)C)c(C)c1Cl ZINC000788442939 653756624 /nfs/dbraw/zinc/75/66/24/653756624.db2.gz RRHOKTKJKDPJSB-QMMMGPOBSA-N -2 3 383.875 2.132 20 0 GEADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2c(C)onc2OC(F)F)ccc1[O-] ZINC000821089198 653790139 /nfs/dbraw/zinc/79/01/39/653790139.db2.gz FEJMQTLWHRAUBI-UHFFFAOYSA-N -2 3 377.325 2.049 20 0 GEADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)CC1CC1 ZINC000844821223 653820395 /nfs/dbraw/zinc/82/03/95/653820395.db2.gz MKZHKFHPQHVECN-QMMMGPOBSA-N -2 3 397.678 2.277 20 0 GEADHL O=S(=O)([N-]c1ncc(-c2nnn[n-]2)s1)c1c(Cl)cccc1Cl ZINC000823588932 653873328 /nfs/dbraw/zinc/87/33/28/653873328.db2.gz FVNSGMMVVRPLAM-UHFFFAOYSA-N -2 3 377.238 2.431 20 0 GEADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccs2)c1 ZINC000794758159 653918426 /nfs/dbraw/zinc/91/84/26/653918426.db2.gz XSCMAONRPYFFCX-ZDUSSCGKSA-N -2 3 387.410 2.168 20 0 GEADHL COc1cc(S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F)cnc1Cl ZINC000794768752 653920174 /nfs/dbraw/zinc/92/01/74/653920174.db2.gz ZFDNWVYQGDEPPT-SSDOTTSWSA-N -2 3 390.767 2.065 20 0 GEADHL C[C@H]1CSC[C@@H]1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000794839480 653921970 /nfs/dbraw/zinc/92/19/70/653921970.db2.gz WNLWMAJLIAYTQQ-FSPLSTOPSA-N -2 3 386.314 2.239 20 0 GEADHL Cc1cccc([N-]S(=O)(=O)c2c(Cl)nc3sccn32)c1-c1nn[n-]n1 ZINC000826299704 653949325 /nfs/dbraw/zinc/94/93/25/653949325.db2.gz QOOHLMAXCAJZMA-UHFFFAOYSA-N -2 3 395.857 2.339 20 0 GEADHL O=C([O-])CCCCCS(=O)(=O)[N-]C[C@](O)(c1ccccc1)C(F)(F)F ZINC000829190921 654061757 /nfs/dbraw/zinc/06/17/57/654061757.db2.gz ABYNXMBFCDJFPH-AWEZNQCLSA-N -2 3 383.388 2.001 20 0 GEADHL O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)[N-]OCCCC(F)(F)F ZINC000871211647 654224694 /nfs/dbraw/zinc/22/46/94/654224694.db2.gz XFTVDOQFKJWSCS-UHFFFAOYSA-N -2 3 380.797 2.070 20 0 GEADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]C2CC2)c(Br)c1 ZINC000871597946 654245246 /nfs/dbraw/zinc/24/52/46/654245246.db2.gz CDMIHNPVZYRNLU-UHFFFAOYSA-N -2 3 399.060 2.351 20 0 GEADHL COC[C@@H]([N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br)C(C)C ZINC000871888800 654273205 /nfs/dbraw/zinc/27/32/05/654273205.db2.gz BMOIOUKWQZAFCB-MRVPVSSYSA-N -2 3 386.289 2.158 20 0 GEADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)C1CCC1 ZINC000853025984 654273564 /nfs/dbraw/zinc/27/35/64/654273564.db2.gz ZGWHIQFOHLIGHR-VIFPVBQESA-N -2 3 397.678 2.277 20 0 GEADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]CC[C@@H]2CCCOC2)s1 ZINC000871992544 654304439 /nfs/dbraw/zinc/30/44/39/654304439.db2.gz AAGZVRSVMHEMFV-QMMMGPOBSA-N -2 3 398.300 2.304 20 0 GEADHL C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000872000022 654306939 /nfs/dbraw/zinc/30/69/39/654306939.db2.gz FRQGNJILBFYWMW-DOACCVQLSA-N -2 3 398.300 2.299 20 0 GEADHL CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000909159542 654654342 /nfs/dbraw/zinc/65/43/42/654654342.db2.gz NDXHNUULLSFQGY-GFCCVEGCSA-N -2 3 389.246 2.174 20 0 GEADHL O=C([O-])[C@@H]1CN(C(=O)c2cc([O-])cc(Br)c2)C[C@H]1C(F)(F)F ZINC000910393058 654698950 /nfs/dbraw/zinc/69/89/50/654698950.db2.gz OMGFPOYWGJRLOD-NXEZZACHSA-N -2 3 382.132 2.490 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCCSC2)c(Br)s1 ZINC000169170149 531882370 /nfs/dbraw/zinc/88/23/70/531882370.db2.gz PZABJSRAQPUKSE-LURJTMIESA-N -2 3 386.314 2.383 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1 ZINC000172592356 531958865 /nfs/dbraw/zinc/95/88/65/531958865.db2.gz ZETCECWHORUFCT-UHFFFAOYSA-N -2 3 384.454 2.376 20 0 GEADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)c(Br)c3)ccc21 ZINC000174764499 532078686 /nfs/dbraw/zinc/07/86/86/532078686.db2.gz OUNVOCYREGKMIY-UHFFFAOYSA-N -2 3 399.197 2.273 20 0 GEADHL C[C@H](NC(=O)c1c[n-]nn1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000125696410 532140294 /nfs/dbraw/zinc/14/02/94/532140294.db2.gz RXHRKDSBXJOFRA-JTQLQIEISA-N -2 3 377.451 2.158 20 0 GEADHL C[C@H](NC(=O)c1cnn[n-]1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000125696410 532140295 /nfs/dbraw/zinc/14/02/95/532140295.db2.gz RXHRKDSBXJOFRA-JTQLQIEISA-N -2 3 377.451 2.158 20 0 GEADHL C[C@H](NC(=O)c1cn[n-]n1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000125696410 532140299 /nfs/dbraw/zinc/14/02/99/532140299.db2.gz RXHRKDSBXJOFRA-JTQLQIEISA-N -2 3 377.451 2.158 20 0 GEADHL C[N-]S(=O)(=O)c1ccc(CNC(=O)c2cc(F)cc(Cl)c2[O-])s1 ZINC000176998349 532158737 /nfs/dbraw/zinc/15/87/37/532158737.db2.gz HIAKBAAMHSQSGP-UHFFFAOYSA-N -2 3 378.834 2.084 20 0 GEADHL O=C(NCCC[N-]S(=O)(=O)c1c(F)cccc1Cl)c1cccc([O-])c1 ZINC000132791850 532220630 /nfs/dbraw/zinc/22/06/30/532220630.db2.gz YYBBPJOGIMEWCZ-UHFFFAOYSA-N -2 3 386.832 2.283 20 0 GEADHL O=C(c1cc(Br)cc(Cl)c1[O-])N1CCc2nc[n-]c(=O)c2C1 ZINC000179118813 532222300 /nfs/dbraw/zinc/22/23/00/532222300.db2.gz VBDDHYZPWQBAGG-UHFFFAOYSA-N -2 3 384.617 2.090 20 0 GEADHL O=S(=O)([N-]c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1cccc(F)c1 ZINC000150868524 532303592 /nfs/dbraw/zinc/30/35/92/532303592.db2.gz KFAUSHGDSKYYJI-UHFFFAOYSA-N -2 3 388.417 2.206 20 0 GEADHL C[C@]1(c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)NC(=O)[N-]C1=O ZINC000515409869 532362537 /nfs/dbraw/zinc/36/25/37/532362537.db2.gz OCCOZDDCWWJTPK-MRXNPFEDSA-N -2 3 379.825 2.195 20 0 GEADHL CCCSC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)C(=O)[O-] ZINC000516860780 532394521 /nfs/dbraw/zinc/39/45/21/532394521.db2.gz IJKZXVXKNFVACD-SECBINFHSA-N -2 3 387.401 2.302 20 0 GEADHL CCOC(=O)CC1(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)OC)c2[O-])CC1 ZINC000591258150 532403415 /nfs/dbraw/zinc/40/34/15/532403415.db2.gz LOPJCRGDWXKDJX-UHFFFAOYSA-N -2 3 391.829 2.060 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@H](C)C2CCC2)c(F)c1 ZINC000649870449 532428624 /nfs/dbraw/zinc/42/86/24/532428624.db2.gz XTKNXQROUNDQFZ-LLVKDONJSA-N -2 3 378.491 2.444 20 0 GEADHL C[C@H](C(=O)[O-])N(C)C(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000427989358 532439668 /nfs/dbraw/zinc/43/96/68/532439668.db2.gz SCYOZAHSWWJXRK-LLVKDONJSA-N -2 3 388.511 2.294 20 0 GEADHL COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000684760946 532483234 /nfs/dbraw/zinc/48/32/34/532483234.db2.gz KCQRWSISGGDKQZ-LOWVWBTDSA-N -2 3 391.873 2.285 20 0 GEADHL CCOC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](CC(C)C)C(=O)[O-])c(F)c1 ZINC000593218897 532476370 /nfs/dbraw/zinc/47/63/70/532476370.db2.gz YPHPXEQRWBYZCC-GFCCVEGCSA-N -2 3 375.418 2.028 20 0 GEADHL COC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)c1ccc(F)c(F)c1 ZINC000521039023 532503843 /nfs/dbraw/zinc/50/38/43/532503843.db2.gz ZCJFVCDIMMSLAA-CYBMUJFWSA-N -2 3 375.349 2.230 20 0 GEADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2ccc(-n3ccnc3)c(F)c2)c1 ZINC000237964302 532513516 /nfs/dbraw/zinc/51/35/16/532513516.db2.gz ZVTYRAZAJNJUHM-UHFFFAOYSA-N -2 3 381.410 2.250 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)[C@H]1CCCO1 ZINC000630421378 532518411 /nfs/dbraw/zinc/51/84/11/532518411.db2.gz DUKLTCFYRKVJPE-LDYMZIIASA-N -2 3 398.662 2.013 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)[C@H]1CCCO1 ZINC000630423163 532518441 /nfs/dbraw/zinc/51/84/41/532518441.db2.gz PJHHRLUYJQZKHT-MWLCHTKSSA-N -2 3 398.662 2.013 20 0 GEADHL COC(=O)c1cnc(SCc2nc(=O)c3c(C)c(C(C)=O)sc3[n-]2)[n-]1 ZINC000432660298 532543433 /nfs/dbraw/zinc/54/34/33/532543433.db2.gz SRIYBPUPEZGMCL-UHFFFAOYSA-N -2 3 378.435 2.298 20 0 GEADHL Cc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)[C@@H]1CCO[C@@H]1C ZINC000565058733 532545933 /nfs/dbraw/zinc/54/59/33/532545933.db2.gz ZIQHBYWNBRMZSD-PSASIEDQSA-N -2 3 378.244 2.375 20 0 GEADHL CC(=O)c1ccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000433610966 532575172 /nfs/dbraw/zinc/57/51/72/532575172.db2.gz XJYLAGSWEXNPGF-UHFFFAOYSA-N -2 3 386.426 2.201 20 0 GEADHL CC[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)[O-])O2)c1nc(C)cs1 ZINC000566176843 532597909 /nfs/dbraw/zinc/59/79/09/532597909.db2.gz NMEZXXPQTZUWFZ-OCCSQVGLSA-N -2 3 382.463 2.269 20 0 GEADHL COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C1(CC(=O)[O-])CC1 ZINC000566313002 532603554 /nfs/dbraw/zinc/60/35/54/532603554.db2.gz ZNKDERNCQWAUEM-JTQLQIEISA-N -2 3 377.846 2.039 20 0 GEADHL CO[C@H](CS(=O)(=O)[N-]c1cc(C(=O)[O-])c(Cl)cc1C)[C@H]1CCOC1 ZINC000656630879 532627844 /nfs/dbraw/zinc/62/78/44/532627844.db2.gz GDHINULGGCDGIG-IINYFYTJSA-N -2 3 377.846 2.140 20 0 GEADHL CCc1cc(=O)n2[n-]c([N-]S(=O)(=O)c3c(Cl)cccc3Cl)nc2n1 ZINC000566997161 532635993 /nfs/dbraw/zinc/63/59/93/532635993.db2.gz VCJISYBZFQEPSL-UHFFFAOYSA-N -2 3 388.236 2.088 20 0 GEADHL O=C(NCCCNC(=O)c1cc(Br)ccc1[O-])c1cccc([O-])c1 ZINC000436608563 532638560 /nfs/dbraw/zinc/63/85/60/532638560.db2.gz UTLRVWKHDFZGFQ-UHFFFAOYSA-N -2 3 393.237 2.410 20 0 GEADHL CCOc1cc(/C=C\c2cc(=O)n3[n-]cnc3n2)cc(Br)c1[O-] ZINC000436716825 532644314 /nfs/dbraw/zinc/64/43/14/532644314.db2.gz RGMTYOFIODGVHL-ARJAWSKDSA-N -2 3 377.198 2.455 20 0 GEADHL COc1ccc(Br)c(S(=O)(=O)[N-][C@H](C)[C@H](C(=O)[O-])C(C)C)c1 ZINC000569686240 532701899 /nfs/dbraw/zinc/70/18/99/532701899.db2.gz FIEKWVJBAIPJSW-NOZJJQNGSA-N -2 3 394.287 2.481 20 0 GEADHL COCc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N-]S(C)(=O)=O)c2)cc1 ZINC000537037329 532702079 /nfs/dbraw/zinc/70/20/79/532702079.db2.gz BBYQYWDMOATQPF-UHFFFAOYSA-N -2 3 388.442 2.144 20 0 GEADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000569013497 532687696 /nfs/dbraw/zinc/68/76/96/532687696.db2.gz CUZCFXZOOUVDOA-UHFFFAOYSA-N -2 3 392.861 2.496 20 0 GEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@H](C)C1CCOCC1 ZINC000392506765 532708541 /nfs/dbraw/zinc/70/85/41/532708541.db2.gz XDFJCNASDRDVJG-SECBINFHSA-N -2 3 377.846 2.140 20 0 GEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]CCc1csc(C)n1 ZINC000392515405 532709085 /nfs/dbraw/zinc/70/90/85/532709085.db2.gz RMULKSFATUDACJ-UHFFFAOYSA-N -2 3 390.870 2.333 20 0 GEADHL Cn1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)cc(Cl)c1=O ZINC000489577443 532709070 /nfs/dbraw/zinc/70/90/70/532709070.db2.gz CQJBLDJOKNGDBH-UHFFFAOYSA-N -2 3 377.205 2.191 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2C2CCCCC2)c(F)c1 ZINC000608032596 532709547 /nfs/dbraw/zinc/70/95/47/532709547.db2.gz RLYWFTANBSXLHJ-HIFRSBDPSA-N -2 3 390.502 2.444 20 0 GEADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000672485311 532726272 /nfs/dbraw/zinc/72/62/72/532726272.db2.gz DFXBCKPQUPETDN-ZETCQYMHSA-N -2 3 391.808 2.095 20 0 GEADHL CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)C(F)(F)F ZINC000443219157 532742131 /nfs/dbraw/zinc/74/21/31/532742131.db2.gz SLSQPSXOAJSWHA-JTQLQIEISA-N -2 3 383.783 2.385 20 0 GEADHL CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)C(F)(F)F ZINC000443219157 532742135 /nfs/dbraw/zinc/74/21/35/532742135.db2.gz SLSQPSXOAJSWHA-JTQLQIEISA-N -2 3 383.783 2.385 20 0 GEADHL Cc1cc(C)n(C[C@@H]([N-]S(=O)(=O)c2ccc(C(F)(F)F)s2)C(=O)[O-])n1 ZINC000579903425 532745048 /nfs/dbraw/zinc/74/50/48/532745048.db2.gz UFFOIOZXXPFNDC-SECBINFHSA-N -2 3 397.400 2.012 20 0 GEADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCC[C@H]1C(=O)[O-] ZINC000316173048 532783053 /nfs/dbraw/zinc/78/30/53/532783053.db2.gz SBOCDNMCDISLCL-MNOVXSKESA-N -2 3 392.271 2.379 20 0 GEADHL CCC[C@H](O)[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000547613489 532787368 /nfs/dbraw/zinc/78/73/68/532787368.db2.gz ZDDKULVPNLTOGN-ONGXEEELSA-N -2 3 389.779 2.251 20 0 GEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCOC(C)(C)C1 ZINC000325403942 532789103 /nfs/dbraw/zinc/78/91/03/532789103.db2.gz ZNOBFDOTYOTLRQ-SNVBAGLBSA-N -2 3 377.846 2.283 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCCCCC(=O)[O-])cc1Cl ZINC000270413322 532797529 /nfs/dbraw/zinc/79/75/29/532797529.db2.gz CRKGHLYCDNRZAS-UHFFFAOYSA-N -2 3 380.825 2.361 20 0 GEADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl)C(=O)NC(C)(C)C ZINC000273621950 532828518 /nfs/dbraw/zinc/82/85/18/532828518.db2.gz AUKFXQXLJLWLIF-SSDOTTSWSA-N -2 3 397.280 2.273 20 0 GEADHL Cc1csc([C@H]([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)C2CC2)n1 ZINC000273671703 532830309 /nfs/dbraw/zinc/83/03/09/532830309.db2.gz GHHVKBZSTSINBM-OAHLLOKOSA-N -2 3 382.463 2.345 20 0 GEADHL CC(C)[C@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)C(F)(F)F ZINC000414475662 532830320 /nfs/dbraw/zinc/83/03/20/532830320.db2.gz HWMQOSQAJUHOPK-NSHDSACASA-N -2 3 392.396 2.062 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2COC3(CCCC3)O2)cc(F)c1Cl ZINC000273713251 532832211 /nfs/dbraw/zinc/83/22/11/532832211.db2.gz PMFFYXXWMWDTHQ-VIFPVBQESA-N -2 3 393.820 2.141 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2COC3(CCCC3)O2)c(Cl)cc1F ZINC000273728659 532832383 /nfs/dbraw/zinc/83/23/83/532832383.db2.gz ROKPLJRFLKGWAT-SECBINFHSA-N -2 3 393.820 2.141 20 0 GEADHL Cc1cnc(C[N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(Cl)c2)o1 ZINC000273703954 532831314 /nfs/dbraw/zinc/83/13/14/532831314.db2.gz OEGNLCGQHQKKEA-UHFFFAOYSA-N -2 3 388.829 2.359 20 0 GEADHL CC[C@H]([N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1)c1nc(C)cs1 ZINC000273774725 532834181 /nfs/dbraw/zinc/83/41/81/532834181.db2.gz XYVLAZFNRGVTMR-LBPRGKRZSA-N -2 3 388.442 2.484 20 0 GEADHL C[C@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000273741136 532833094 /nfs/dbraw/zinc/83/30/94/532833094.db2.gz OQJGDJBSSHKHBI-UFBFGSQYSA-N -2 3 393.292 2.453 20 0 GEADHL O=C([O-])CSCC[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000275037424 532862411 /nfs/dbraw/zinc/86/24/11/532862411.db2.gz QSRJIGSRTJCFGR-UHFFFAOYSA-N -2 3 388.692 2.199 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])c(Cl)cc1Cl ZINC000275182077 532867760 /nfs/dbraw/zinc/86/77/60/532867760.db2.gz DMDUFEOZMLVSSO-UHFFFAOYSA-N -2 3 384.237 2.169 20 0 GEADHL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000275278373 532870896 /nfs/dbraw/zinc/87/08/96/532870896.db2.gz RNHDDWXGUYFIHH-YPMHNXCESA-N -2 3 391.873 2.429 20 0 GEADHL CCO[C@@H]1C[C@@]([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)(C(=O)[O-])C1(C)C ZINC000275620557 532880140 /nfs/dbraw/zinc/88/01/40/532880140.db2.gz LAXNDMMGNATEKM-IUODEOHRSA-N -2 3 379.837 2.416 20 0 GEADHL CCOc1cc([N-]S(=O)(=O)C[C@@H](CC)OC)c(C(=O)[O-])cc1OCC ZINC000421146843 532888810 /nfs/dbraw/zinc/88/88/10/532888810.db2.gz BFDLCDXRAQHCJW-LLVKDONJSA-N -2 3 375.443 2.349 20 0 GEADHL O=C([O-])CSCC[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000276912014 532903372 /nfs/dbraw/zinc/90/33/72/532903372.db2.gz NMQXWIYBOTWZCZ-UHFFFAOYSA-N -2 3 388.692 2.199 20 0 GEADHL CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000735485927 598844314 /nfs/dbraw/zinc/84/43/14/598844314.db2.gz YGAYZWSESOITPD-UHFFFAOYSA-N -2 3 390.400 2.073 20 0 GEADHL CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000735485927 598844315 /nfs/dbraw/zinc/84/43/15/598844315.db2.gz YGAYZWSESOITPD-UHFFFAOYSA-N -2 3 390.400 2.073 20 0 GEADHL O=C([O-])c1ccc(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000738216402 598924789 /nfs/dbraw/zinc/92/47/89/598924789.db2.gz YZMLTFMLVLUAFH-UHFFFAOYSA-N -2 3 379.785 2.019 20 0 GEADHL O=C([O-])c1ccc(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000738216402 598924791 /nfs/dbraw/zinc/92/47/91/598924791.db2.gz YZMLTFMLVLUAFH-UHFFFAOYSA-N -2 3 379.785 2.019 20 0 GEADHL Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)no1 ZINC000737464747 598930897 /nfs/dbraw/zinc/93/08/97/598930897.db2.gz WZOVIWVTKZAPDJ-UHFFFAOYSA-N -2 3 397.420 2.334 20 0 GEADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC000737220761 598948861 /nfs/dbraw/zinc/94/88/61/598948861.db2.gz GYKVWJIWWADSQB-UHFFFAOYSA-N -2 3 399.432 2.015 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC000737220761 598948863 /nfs/dbraw/zinc/94/88/63/598948863.db2.gz GYKVWJIWWADSQB-UHFFFAOYSA-N -2 3 399.432 2.015 20 0 GEADHL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1C ZINC000822487064 607255672 /nfs/dbraw/zinc/25/56/72/607255672.db2.gz ZRQXGUWXQVTBQA-UHFFFAOYSA-N -2 3 375.458 2.370 20 0 GEADHL Cc1[nH]c2ccccc2c1C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000737298376 598975447 /nfs/dbraw/zinc/97/54/47/598975447.db2.gz IRRGROIFOOYTTD-UHFFFAOYSA-N -2 3 396.432 2.084 20 0 GEADHL Cc1[nH]c2ccccc2c1C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000737298376 598975448 /nfs/dbraw/zinc/97/54/48/598975448.db2.gz IRRGROIFOOYTTD-UHFFFAOYSA-N -2 3 396.432 2.084 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cccc(Br)n1 ZINC000737223662 599029797 /nfs/dbraw/zinc/02/97/97/599029797.db2.gz BAVYNAKMXPAEOV-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1nc2c(s1)CCCC2 ZINC000737225704 599029829 /nfs/dbraw/zinc/02/98/29/599029829.db2.gz HAKNNYMJOVXUQP-UHFFFAOYSA-N -2 3 376.467 2.311 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1nc2c(s1)CCCC2 ZINC000737225704 599029831 /nfs/dbraw/zinc/02/98/31/599029831.db2.gz HAKNNYMJOVXUQP-UHFFFAOYSA-N -2 3 376.467 2.311 20 0 GEADHL CS(=O)(=O)[N-]C(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000737165484 599219351 /nfs/dbraw/zinc/21/93/51/599219351.db2.gz LEZBTKWJKWNDRH-UHFFFAOYSA-N -2 3 393.812 2.002 20 0 GEADHL CCCC[C@@H](CC)CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736438961 599245245 /nfs/dbraw/zinc/24/52/45/599245245.db2.gz PTQZWSLIXKPUQR-CYBMUJFWSA-N -2 3 379.486 2.419 20 0 GEADHL CCCC[C@@H](CC)CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736438961 599245248 /nfs/dbraw/zinc/24/52/48/599245248.db2.gz PTQZWSLIXKPUQR-CYBMUJFWSA-N -2 3 379.486 2.419 20 0 GEADHL C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000675992034 597462227 /nfs/dbraw/zinc/46/22/27/597462227.db2.gz WTRRVUQFTQLKAN-NSHDSACASA-N -2 3 380.397 2.172 20 0 GEADHL C[C@H](OC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl)C(=O)[O-] ZINC000737715047 597496252 /nfs/dbraw/zinc/49/62/52/597496252.db2.gz TZIIKNBKKVOAAX-LURJTMIESA-N -2 3 382.221 2.064 20 0 GEADHL CC(C)(Cc1ccccc1)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735671348 599282497 /nfs/dbraw/zinc/28/24/97/599282497.db2.gz VESWTEORSLIZJF-UHFFFAOYSA-N -2 3 399.476 2.082 20 0 GEADHL CC(C)(Cc1ccccc1)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735671348 599282500 /nfs/dbraw/zinc/28/25/00/599282500.db2.gz VESWTEORSLIZJF-UHFFFAOYSA-N -2 3 399.476 2.082 20 0 GEADHL O=S(=O)([N-]c1ccc(SC(F)F)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823589214 607326921 /nfs/dbraw/zinc/32/69/21/607326921.db2.gz SWQQZGVRCAFVFH-UHFFFAOYSA-N -2 3 384.393 2.377 20 0 GEADHL C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000735974312 598306521 /nfs/dbraw/zinc/30/65/21/598306521.db2.gz GOSHDHYESOXMIF-GFCCVEGCSA-N -2 3 377.470 2.278 20 0 GEADHL C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000735974312 598306522 /nfs/dbraw/zinc/30/65/22/598306522.db2.gz GOSHDHYESOXMIF-GFCCVEGCSA-N -2 3 377.470 2.278 20 0 GEADHL COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737108071 598399978 /nfs/dbraw/zinc/39/99/78/598399978.db2.gz JDETUVJZNUDDFM-UHFFFAOYSA-N -2 3 389.437 2.463 20 0 GEADHL COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737108071 598399980 /nfs/dbraw/zinc/39/99/80/598399980.db2.gz JDETUVJZNUDDFM-UHFFFAOYSA-N -2 3 389.437 2.463 20 0 GEADHL O=C(NCc1ccc(-c2nnn[n-]2)cc1F)c1cccc(Br)c1[O-] ZINC000738100854 598409685 /nfs/dbraw/zinc/40/96/85/598409685.db2.gz AGOLSGRKRUPSAQ-UHFFFAOYSA-N -2 3 392.188 2.404 20 0 GEADHL O=C(NCc1ccc(-c2nn[n-]n2)cc1F)c1cccc(Br)c1[O-] ZINC000738100854 598409686 /nfs/dbraw/zinc/40/96/86/598409686.db2.gz AGOLSGRKRUPSAQ-UHFFFAOYSA-N -2 3 392.188 2.404 20 0 GEADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cc1F ZINC000737314862 598416449 /nfs/dbraw/zinc/41/64/49/598416449.db2.gz JKXPTIJQCMSWFN-UHFFFAOYSA-N -2 3 395.803 2.086 20 0 GEADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1F ZINC000737314862 598416450 /nfs/dbraw/zinc/41/64/50/598416450.db2.gz JKXPTIJQCMSWFN-UHFFFAOYSA-N -2 3 395.803 2.086 20 0 GEADHL Cc1nc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)c[nH]1 ZINC000737502576 598452335 /nfs/dbraw/zinc/45/23/35/598452335.db2.gz XMLSFRXLCZUGMF-UHFFFAOYSA-N -2 3 397.420 2.491 20 0 GEADHL Cc1nc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)c[nH]1 ZINC000737502576 598452337 /nfs/dbraw/zinc/45/23/37/598452337.db2.gz XMLSFRXLCZUGMF-UHFFFAOYSA-N -2 3 397.420 2.491 20 0 GEADHL CCc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736690909 598536346 /nfs/dbraw/zinc/53/63/46/598536346.db2.gz WUIUKNBKFGYOSW-GFCCVEGCSA-N -2 3 385.449 2.038 20 0 GEADHL CCc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736690909 598536347 /nfs/dbraw/zinc/53/63/47/598536347.db2.gz WUIUKNBKFGYOSW-GFCCVEGCSA-N -2 3 385.449 2.038 20 0 GEADHL O=S(=O)([N-]c1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1cn[nH]c1 ZINC000738341100 598557518 /nfs/dbraw/zinc/55/75/18/598557518.db2.gz FMGDIBVCGRAJMF-UHFFFAOYSA-N -2 3 383.393 2.183 20 0 GEADHL O=S(=O)([N-]c1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1cn[nH]c1 ZINC000738341100 598557520 /nfs/dbraw/zinc/55/75/20/598557520.db2.gz FMGDIBVCGRAJMF-UHFFFAOYSA-N -2 3 383.393 2.183 20 0 GEADHL O=S(=O)([N-]c1ccc(N2CCCCC2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738341626 598608141 /nfs/dbraw/zinc/60/81/41/598608141.db2.gz HAVBGFFFUHOYSV-UHFFFAOYSA-N -2 3 385.453 2.053 20 0 GEADHL O=S(=O)([N-]c1ccc(N2CCCCC2)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738341626 598608142 /nfs/dbraw/zinc/60/81/42/598608142.db2.gz HAVBGFFFUHOYSV-UHFFFAOYSA-N -2 3 385.453 2.053 20 0 GEADHL C[S@](=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737173419 598627503 /nfs/dbraw/zinc/62/75/03/598627503.db2.gz YLPAZMITFGIYPU-DEOSSOPVSA-N -2 3 397.869 2.058 20 0 GEADHL C[S@@](=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737173424 598627605 /nfs/dbraw/zinc/62/76/05/598627605.db2.gz YLPAZMITFGIYPU-XMMPIXPASA-N -2 3 397.869 2.058 20 0 GEADHL CC[C@@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000736352218 598784985 /nfs/dbraw/zinc/78/49/85/598784985.db2.gz JIXPPOBSCRVTNI-HNNXBMFYSA-N -2 3 399.476 2.082 20 0 GEADHL CC[C@@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000736352218 598784987 /nfs/dbraw/zinc/78/49/87/598784987.db2.gz JIXPPOBSCRVTNI-HNNXBMFYSA-N -2 3 399.476 2.082 20 0 GEADHL CC(C)Oc1ccc(NC(=O)C[C@]2(C(=O)[O-])CCSC2)cc1-c1nnn[n-]1 ZINC000820160065 607367250 /nfs/dbraw/zinc/36/72/50/607367250.db2.gz FWNQWQYOOVMVON-QGZVFWFLSA-N -2 3 391.453 2.190 20 0 GEADHL CC(C)Oc1ccc(NC(=O)C[C@]2(C(=O)[O-])CCSC2)cc1-c1nn[n-]n1 ZINC000820160065 607367251 /nfs/dbraw/zinc/36/72/51/607367251.db2.gz FWNQWQYOOVMVON-QGZVFWFLSA-N -2 3 391.453 2.190 20 0 GEADHL O=S(=O)([N-]c1nc(-c2ccccc2)ns1)c1cccc(-c2nnn[n-]2)c1 ZINC000738340002 599362998 /nfs/dbraw/zinc/36/29/98/599362998.db2.gz SBCWKCFPKQHZED-UHFFFAOYSA-N -2 3 385.434 2.186 20 0 GEADHL O=S(=O)([N-]c1nc(-c2ccccc2)ns1)c1cccc(-c2nn[n-]n2)c1 ZINC000738340002 599363000 /nfs/dbraw/zinc/36/30/00/599363000.db2.gz SBCWKCFPKQHZED-UHFFFAOYSA-N -2 3 385.434 2.186 20 0 GEADHL C[C@H](OC(=O)c1c(F)cc([O-])cc1F)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736159775 599366966 /nfs/dbraw/zinc/36/69/66/599366966.db2.gz ONAVIRTWDUXVTK-QMMMGPOBSA-N -2 3 389.318 2.035 20 0 GEADHL C[C@H](OC(=O)c1c(F)cc([O-])cc1F)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736159775 599366967 /nfs/dbraw/zinc/36/69/67/599366967.db2.gz ONAVIRTWDUXVTK-QMMMGPOBSA-N -2 3 389.318 2.035 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CC/C=C\c1ccccc1 ZINC000737299971 599618069 /nfs/dbraw/zinc/61/80/69/599618069.db2.gz SXUKVYNLITXZJP-UITAMQMPSA-N -2 3 397.460 2.474 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CC/C=C\c1ccccc1 ZINC000737299971 599618074 /nfs/dbraw/zinc/61/80/74/599618074.db2.gz SXUKVYNLITXZJP-UITAMQMPSA-N -2 3 397.460 2.474 20 0 GEADHL CCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821051053 599619881 /nfs/dbraw/zinc/61/98/81/599619881.db2.gz XHRLKROFTWMCAP-ZDUSSCGKSA-N -2 3 379.486 2.419 20 0 GEADHL CCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821051053 599619882 /nfs/dbraw/zinc/61/98/82/599619882.db2.gz XHRLKROFTWMCAP-ZDUSSCGKSA-N -2 3 379.486 2.419 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H](c1ccccc1)C(C)C ZINC000822222557 599624881 /nfs/dbraw/zinc/62/48/81/599624881.db2.gz LYTVRLAQEDEAGT-KRWDZBQOSA-N -2 3 399.476 2.420 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H](c1ccccc1)C(C)C ZINC000822222557 599624882 /nfs/dbraw/zinc/62/48/82/599624882.db2.gz LYTVRLAQEDEAGT-KRWDZBQOSA-N -2 3 399.476 2.420 20 0 GEADHL CS(=O)(=O)[N-]c1cc(C(=O)OCCOc2cccc(C(=O)[O-])c2)ccc1F ZINC000738163339 599748789 /nfs/dbraw/zinc/74/87/89/599748789.db2.gz BCVCVDDCSSRNNL-UHFFFAOYSA-N -2 3 397.380 2.131 20 0 GEADHL CC(C)(C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccc2c(c1)OCCO2 ZINC000563808790 599775578 /nfs/dbraw/zinc/77/55/78/599775578.db2.gz QSGCKGLHPWOFCO-UHFFFAOYSA-N -2 3 381.406 2.005 20 0 GEADHL CCC[C@](C)([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C(=O)[O-] ZINC000736959628 599797817 /nfs/dbraw/zinc/79/78/17/599797817.db2.gz RVKZVJUPPJWPNI-AWEZNQCLSA-N -2 3 380.825 2.359 20 0 GEADHL O=C([O-])c1cccc(NC(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)c1 ZINC000740228908 599886245 /nfs/dbraw/zinc/88/62/45/599886245.db2.gz UAVRKHLGNKRUIW-UHFFFAOYSA-N -2 3 396.371 2.356 20 0 GEADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000477415220 599905394 /nfs/dbraw/zinc/90/53/94/599905394.db2.gz AQCHCHINVVMBCU-JTQLQIEISA-N -2 3 376.390 2.213 20 0 GEADHL CC(C)[C@@H]([N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)c1nc(C2CC2)no1 ZINC000580712951 600230870 /nfs/dbraw/zinc/23/08/70/600230870.db2.gz VRDYCZABFHVAGK-CQSZACIVSA-N -2 3 379.438 2.462 20 0 GEADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)ccc1F ZINC000504657911 600255071 /nfs/dbraw/zinc/25/50/71/600255071.db2.gz KPDLKRWJAPYXBS-UHFFFAOYSA-N -2 3 396.396 2.438 20 0 GEADHL CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736404476 600346490 /nfs/dbraw/zinc/34/64/90/600346490.db2.gz CDADCWLFPKXONY-NSHDSACASA-N -2 3 390.458 2.196 20 0 GEADHL C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)c1nnc2ccccc2c1[O-] ZINC000736823372 600360759 /nfs/dbraw/zinc/36/07/59/600360759.db2.gz KZYHAIVBGYUIOP-ZDUSSCGKSA-N -2 3 392.415 2.385 20 0 GEADHL O=C([O-])c1c2c(sc1NC(=O)COC(=O)c1cncc([O-])c1)CCCC2 ZINC000739322263 600371512 /nfs/dbraw/zinc/37/15/12/600371512.db2.gz KWAYGDNVCXJQET-UHFFFAOYSA-N -2 3 376.390 2.221 20 0 GEADHL COc1cc(CN(CC(=O)[O-])C(=O)c2nnc3ccccc3c2[O-])cc(OC)c1 ZINC000737882114 600484714 /nfs/dbraw/zinc/48/47/14/600484714.db2.gz ZCULJOIXDWYAEJ-UHFFFAOYSA-N -2 3 397.387 2.080 20 0 GEADHL O=C([O-])Cn1cc([N-]S(=O)(=O)/C=C/c2ccc(Br)cc2)cn1 ZINC000739911570 600530113 /nfs/dbraw/zinc/53/01/13/600530113.db2.gz CPMXXVBQTLGQHP-AATRIKPKSA-N -2 3 386.227 2.143 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)ccc1OC ZINC000523535575 600545109 /nfs/dbraw/zinc/54/51/09/600545109.db2.gz ZQUYPDSAGYWLNB-UHFFFAOYSA-N -2 3 379.390 2.289 20 0 GEADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)(C)C ZINC000737840584 600577768 /nfs/dbraw/zinc/57/77/68/600577768.db2.gz YRDHFEQHVXMUKL-NSHDSACASA-N -2 3 398.250 2.374 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC[C@H]2CCCO2)c(F)cc1Br ZINC000740088353 600633190 /nfs/dbraw/zinc/63/31/90/600633190.db2.gz UADABLJPFDRDPW-MRVPVSSYSA-N -2 3 396.234 2.134 20 0 GEADHL CC(C)NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000509560163 600676161 /nfs/dbraw/zinc/67/61/61/600676161.db2.gz RHLRPCWYKPGIJE-UHFFFAOYSA-N -2 3 385.829 2.305 20 0 GEADHL Cn1cc(S(=O)(=O)[N-]c2ccc3nc([C@H]4CCCO4)[nH]c3c2)cc1C(=O)[O-] ZINC000299311315 600812838 /nfs/dbraw/zinc/81/28/38/600812838.db2.gz WRYQVMYARCBBLT-OAHLLOKOSA-N -2 3 390.421 2.252 20 0 GEADHL Cn1cc(S(=O)(=O)[N-]c2cc(Br)ccc2F)cc1C(=O)[O-] ZINC000036751806 600815287 /nfs/dbraw/zinc/81/52/87/600815287.db2.gz AQEWFOFIZZBYPQ-UHFFFAOYSA-N -2 3 377.191 2.426 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCOC3=O)cc2)ccc1C(=O)[O-] ZINC000738477061 600890578 /nfs/dbraw/zinc/89/05/78/600890578.db2.gz FWTLHDYHBCDBFB-UHFFFAOYSA-N -2 3 376.390 2.451 20 0 GEADHL Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000738398544 601071438 /nfs/dbraw/zinc/07/14/38/601071438.db2.gz OEKIMDJABKYUNC-AWEZNQCLSA-N -2 3 380.404 2.150 20 0 GEADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccccc2)s1 ZINC000760100485 601211948 /nfs/dbraw/zinc/21/19/48/601211948.db2.gz QJTMWUDVTPWDOR-NSHDSACASA-N -2 3 399.446 2.038 20 0 GEADHL Cc1oc(S(=O)(=O)[N-]Cc2ccc(OC3CCCC3)nc2)cc1C(=O)[O-] ZINC000833026454 601217198 /nfs/dbraw/zinc/21/71/98/601217198.db2.gz CVAFPWJQBALLSR-UHFFFAOYSA-N -2 3 380.422 2.481 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccc(F)cc2)oc1C ZINC000831343554 601218643 /nfs/dbraw/zinc/21/86/43/601218643.db2.gz KZKUMDDDBRAVAL-ZDUSSCGKSA-N -2 3 385.369 2.008 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2ccc(N3CCCC3=O)cc2)cc1C(=O)[O-] ZINC000833027713 601219172 /nfs/dbraw/zinc/21/91/72/601219172.db2.gz IWBJTAXNJDMKAD-LLVKDONJSA-N -2 3 392.433 2.453 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2cccc(N3CCOC3=O)c2)cc1C(=O)[O-] ZINC000833028748 601219622 /nfs/dbraw/zinc/21/96/22/601219622.db2.gz QNPAFTXQEDUUTR-JTQLQIEISA-N -2 3 394.405 2.282 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2ccc(N3CCOC3=O)cc2)cc1C(=O)[O-] ZINC000833029188 601219826 /nfs/dbraw/zinc/21/98/26/601219826.db2.gz ZBUUTFZUBDPTGR-JTQLQIEISA-N -2 3 394.405 2.282 20 0 GEADHL COc1ccccc1N1CC[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)C1 ZINC000832618519 601220007 /nfs/dbraw/zinc/22/00/07/601220007.db2.gz WOSWFDPVLYNUMV-ZDUSSCGKSA-N -2 3 394.449 2.100 20 0 GEADHL O=C([O-])c1cc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c(F)cc1F ZINC000833300852 601232744 /nfs/dbraw/zinc/23/27/44/601232744.db2.gz OKIPCTMIFSEDLC-UHFFFAOYSA-N -3 3 393.270 2.440 20 0 GEADHL CC(=O)Nc1ccc(CC[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cc1 ZINC000825898415 601234711 /nfs/dbraw/zinc/23/47/11/601234711.db2.gz WOSXUIVPNBBNCC-UHFFFAOYSA-N -2 3 398.387 2.142 20 0 GEADHL CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)[C@H]2CCCO[C@@H]21 ZINC000828051004 601238184 /nfs/dbraw/zinc/23/81/84/601238184.db2.gz SPSRTOYWNPNIOF-WZYXQFPFSA-N -2 3 375.393 2.145 20 0 GEADHL C[C@H]([N-]S(=O)(=O)c1csc(C(=O)[O-])c1)c1noc(Cc2ccccc2)n1 ZINC000827767755 601405624 /nfs/dbraw/zinc/40/56/24/601405624.db2.gz JZDHSVXSRLUCHT-JTQLQIEISA-N -2 3 393.446 2.460 20 0 GEADHL O=C([O-])[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000833170482 601612144 /nfs/dbraw/zinc/61/21/44/601612144.db2.gz HUYLWMZPNRYTSL-KRWDZBQOSA-N -2 3 390.823 2.335 20 0 GEADHL O=C([O-])[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C1CC1 ZINC000532004726 601703969 /nfs/dbraw/zinc/70/39/69/601703969.db2.gz LVNRAGOFEDGDAB-MRXNPFEDSA-N -2 3 392.408 2.220 20 0 GEADHL CC(=O)Nc1cc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)ccc1F ZINC000824000090 607532948 /nfs/dbraw/zinc/53/29/48/607532948.db2.gz UGHNYJYGRIGAIV-UHFFFAOYSA-N -2 3 390.400 2.073 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)c1-c1nn[n-]n1 ZINC000826303857 607534790 /nfs/dbraw/zinc/53/47/90/607534790.db2.gz JEFUURZAPVRTRG-UHFFFAOYSA-N -2 3 381.421 2.366 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c3c2)c1-c1nnn[n-]1 ZINC000826304021 607536221 /nfs/dbraw/zinc/53/62/21/607536221.db2.gz RMTFWOGMJPFWCU-UHFFFAOYSA-N -3 3 398.404 2.155 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c3c2)c1-c1nn[n-]n1 ZINC000826304021 607536223 /nfs/dbraw/zinc/53/62/23/607536223.db2.gz RMTFWOGMJPFWCU-UHFFFAOYSA-N -3 3 398.404 2.155 20 0 GEADHL CCc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2C)cc1C(=O)[O-] ZINC000825718104 607537685 /nfs/dbraw/zinc/53/76/85/607537685.db2.gz WAIRVTQYEQRXMW-UHFFFAOYSA-N -2 3 387.421 2.237 20 0 GEADHL O=C([O-])Nc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cn1 ZINC000740712020 601995194 /nfs/dbraw/zinc/99/51/94/601995194.db2.gz JGYGHHVCDMIZKD-UHFFFAOYSA-N -2 3 394.384 2.004 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])cc2)cc(C(=O)[O-])c1C ZINC000832904268 602113362 /nfs/dbraw/zinc/11/33/62/602113362.db2.gz CZAITCJXYBAMHN-UHFFFAOYSA-N -3 3 379.390 2.266 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CC2(Cl)Cl)c(Br)o1 ZINC000833303371 602143359 /nfs/dbraw/zinc/14/33/59/602143359.db2.gz IAPANXMDLVPAGT-BYPYZUCNSA-N -2 3 393.042 2.212 20 0 GEADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)c1ccccn1 ZINC000055313488 602149085 /nfs/dbraw/zinc/14/90/85/602149085.db2.gz MDEALYPZLDUFGJ-ZETCQYMHSA-N -2 3 375.200 2.175 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCCOC2CCCC2)c(Br)o1 ZINC000833305175 602151419 /nfs/dbraw/zinc/15/14/19/602151419.db2.gz VLEOJBSNOPPCJF-UHFFFAOYSA-N -2 3 396.259 2.368 20 0 GEADHL CS[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)C1 ZINC000230954653 602160223 /nfs/dbraw/zinc/16/02/23/602160223.db2.gz FFJZPWQWZQJNHU-RQJHMYQMSA-N -2 3 384.273 2.303 20 0 GEADHL CCO[C@@H](CC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C(C)C ZINC000829918066 602162275 /nfs/dbraw/zinc/16/22/75/602162275.db2.gz MDIXHHJMXJFDOM-VIFPVBQESA-N -2 3 398.275 2.470 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CC[C@@H]2COc3ccccc3O2)c1F ZINC000833294719 602224441 /nfs/dbraw/zinc/22/44/41/602224441.db2.gz VRGAKIGLGHGGOG-SNVBAGLBSA-N -2 3 399.371 2.171 20 0 GEADHL C[C@H](CCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824402087 607559775 /nfs/dbraw/zinc/55/97/75/607559775.db2.gz UBANPGROWWUCFY-CYBMUJFWSA-N -2 3 385.449 2.256 20 0 GEADHL C[C@H](CCC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824402087 607559776 /nfs/dbraw/zinc/55/97/76/607559776.db2.gz UBANPGROWWUCFY-CYBMUJFWSA-N -2 3 385.449 2.256 20 0 GEADHL CN(CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C(=O)[O-] ZINC000737999275 602662346 /nfs/dbraw/zinc/66/23/46/602662346.db2.gz PGGPYFSNLWFDCX-UHFFFAOYSA-N -2 3 396.396 2.393 20 0 GEADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H](CNC(=O)[O-])C2CC2)s1 ZINC000829900343 603120389 /nfs/dbraw/zinc/12/03/89/603120389.db2.gz RIBBUPQJWBRUBE-SECBINFHSA-N -2 3 383.289 2.144 20 0 GEADHL CCOC(=O)c1c2c(sc1[N-]C(=O)c1cnsn1)CN(C(=O)[O-])CC2 ZINC000827338243 604252939 /nfs/dbraw/zinc/25/29/39/604252939.db2.gz IHQYWLWRSPSTMR-UHFFFAOYSA-N -2 3 382.423 2.065 20 0 GEADHL C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)c2cc(C)c(C(=O)[O-])o2)ccc1F ZINC000831034327 604597382 /nfs/dbraw/zinc/59/73/82/604597382.db2.gz VPLHMCQHKUYBSV-SECBINFHSA-N -2 3 385.369 2.251 20 0 GEADHL CC(C)(C)OC(=O)C1CCC([N-]S(=O)(=O)c2csnc2C(=O)[O-])CC1 ZINC000833433462 604703306 /nfs/dbraw/zinc/70/33/06/604703306.db2.gz WWVJSVDJAATHDU-UHFFFAOYSA-N -2 3 390.483 2.020 20 0 GEADHL CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c1C ZINC000484556392 604766603 /nfs/dbraw/zinc/76/66/03/604766603.db2.gz SISNPBUACQTKAQ-UHFFFAOYSA-N -2 3 384.385 2.446 20 0 GEADHL CCC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)[O-])c1ccccn1 ZINC000833649593 605025852 /nfs/dbraw/zinc/02/58/52/605025852.db2.gz XWSGRXGSJWHEBM-NSHDSACASA-N -2 3 398.462 2.448 20 0 GEADHL CC(C)(C)OC(=O)CCC(C)(C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000570329072 605042165 /nfs/dbraw/zinc/04/21/65/605042165.db2.gz JIQNZKALJQUKOK-UHFFFAOYSA-N -2 3 378.472 2.020 20 0 GEADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000547940253 605042984 /nfs/dbraw/zinc/04/29/84/605042984.db2.gz IWFDUHXNUFTWNI-MEDUHNTESA-N -2 3 395.408 2.353 20 0 GEADHL C[C@@H]([N-]S(=O)(=O)c1ccccc1C(=O)[O-])c1noc(Cc2ccccc2)n1 ZINC000833523250 605044808 /nfs/dbraw/zinc/04/48/08/605044808.db2.gz KOHCFYAMBKAJTA-GFCCVEGCSA-N -2 3 387.417 2.398 20 0 GEADHL Cc1nc(C2([N-]S(=O)(=O)c3ccc(Cl)cc3C(=O)[O-])CCCC2)no1 ZINC000833755440 605171603 /nfs/dbraw/zinc/17/16/03/605171603.db2.gz NENSMPPFJDUDKM-UHFFFAOYSA-N -2 3 385.829 2.477 20 0 GEADHL CCc1nc(C2([N-]S(=O)(=O)c3cc(F)cc(C(=O)[O-])c3)CCCC2)no1 ZINC000833673300 605207471 /nfs/dbraw/zinc/20/74/71/605207471.db2.gz JGZHSELVVWBKBF-UHFFFAOYSA-N -2 3 383.401 2.217 20 0 GEADHL CSCC[C@@H](NC(=O)[O-])C(=O)NCc1ccc([O-])c(Br)c1 ZINC000829729172 605414352 /nfs/dbraw/zinc/41/43/52/605414352.db2.gz CRUGHWTYSFMKHI-SNVBAGLBSA-N -2 3 377.260 2.160 20 0 GEADHL O=C([O-])N1CCC[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000831984642 605628290 /nfs/dbraw/zinc/62/82/90/605628290.db2.gz ARMHCAVVVFGTLE-VIFPVBQESA-N -2 3 381.223 2.009 20 0 GEADHL CCCN(C(=O)CCNC(=O)c1ccc(C)cc1[O-])C1CCN(C(=O)[O-])CC1 ZINC000826862679 605822597 /nfs/dbraw/zinc/82/25/97/605822597.db2.gz NHKZESDNVRJJNY-UHFFFAOYSA-N -2 3 391.468 2.202 20 0 GEADHL O=C([O-])N(CC(=O)Nc1cc(I)ccc1[O-])C1CC1 ZINC000834001740 605989614 /nfs/dbraw/zinc/98/96/14/605989614.db2.gz OPXAKHPUJAYVGJ-UHFFFAOYSA-N -2 3 376.150 2.078 20 0 GEADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)s1 ZINC000819866367 606176452 /nfs/dbraw/zinc/17/64/52/606176452.db2.gz MAWSWHFANXGCMJ-MRVPVSSYSA-N -2 3 397.869 2.190 20 0 GEADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)s1 ZINC000819866367 606176453 /nfs/dbraw/zinc/17/64/53/606176453.db2.gz MAWSWHFANXGCMJ-MRVPVSSYSA-N -2 3 397.869 2.190 20 0 GEADHL O=C(CC1CCCCCC1)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822941149 606176865 /nfs/dbraw/zinc/17/68/65/606176865.db2.gz RJSRERFVUYPFFH-UHFFFAOYSA-N -2 3 377.470 2.173 20 0 GEADHL O=C(CC1CCCCCC1)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822941149 606176867 /nfs/dbraw/zinc/17/68/67/606176867.db2.gz RJSRERFVUYPFFH-UHFFFAOYSA-N -2 3 377.470 2.173 20 0 GEADHL O=C(CC1CCCCCC1)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822940971 606177602 /nfs/dbraw/zinc/17/76/02/606177602.db2.gz LNBVHUTVDWTMHA-UHFFFAOYSA-N -2 3 377.470 2.173 20 0 GEADHL O=C(CC1CCCCCC1)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822940971 606177603 /nfs/dbraw/zinc/17/76/03/606177603.db2.gz LNBVHUTVDWTMHA-UHFFFAOYSA-N -2 3 377.470 2.173 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CC1CCCCCC1 ZINC000822222546 606179027 /nfs/dbraw/zinc/17/90/27/606179027.db2.gz LGEWRYJHBGCDOT-UHFFFAOYSA-N -2 3 377.470 2.341 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CC1CCCCCC1 ZINC000822222546 606179029 /nfs/dbraw/zinc/17/90/29/606179029.db2.gz LGEWRYJHBGCDOT-UHFFFAOYSA-N -2 3 377.470 2.341 20 0 GEADHL Cc1cscc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822414713 606179676 /nfs/dbraw/zinc/17/96/76/606179676.db2.gz QWLOURZQSOYEST-UHFFFAOYSA-N -2 3 383.842 2.009 20 0 GEADHL Cc1cscc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822414713 606179678 /nfs/dbraw/zinc/17/96/78/606179678.db2.gz QWLOURZQSOYEST-UHFFFAOYSA-N -2 3 383.842 2.009 20 0 GEADHL Cc1c(Br)cccc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cn1 ZINC000822015776 606180747 /nfs/dbraw/zinc/18/07/47/606180747.db2.gz OHCQYHADZCSPBU-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL O=S(=O)([N-]c1ccc(OC2CCC2)c(F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823589216 606332001 /nfs/dbraw/zinc/33/20/01/606332001.db2.gz TXOACKNRZKKKSF-UHFFFAOYSA-N -2 3 390.400 2.133 20 0 GEADHL O=S(=O)([N-]c1ccc(OC2CCC2)c(F)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823589216 606332002 /nfs/dbraw/zinc/33/20/02/606332002.db2.gz TXOACKNRZKKKSF-UHFFFAOYSA-N -2 3 390.400 2.133 20 0 GEADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000822152056 606468937 /nfs/dbraw/zinc/46/89/37/606468937.db2.gz FDBVHDUKNPHOJA-UHFFFAOYSA-N -2 3 379.471 2.125 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000822152056 606468938 /nfs/dbraw/zinc/46/89/38/606468938.db2.gz FDBVHDUKNPHOJA-UHFFFAOYSA-N -2 3 379.471 2.125 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1nnc(CC(C)C)s1 ZINC000822224212 606468958 /nfs/dbraw/zinc/46/89/58/606468958.db2.gz ZWWQSHZUCMMBNV-UHFFFAOYSA-N -2 3 379.471 2.026 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1nnc(CC(C)C)s1 ZINC000822224212 606468959 /nfs/dbraw/zinc/46/89/59/606468959.db2.gz ZWWQSHZUCMMBNV-UHFFFAOYSA-N -2 3 379.471 2.026 20 0 GEADHL Cc1ccc(C)c(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nnn[n-]2)c1 ZINC000822231658 606606500 /nfs/dbraw/zinc/60/65/00/606606500.db2.gz BWSFEZWQLNBQLG-UHFFFAOYSA-N -2 3 375.458 2.236 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nnn[n-]2)cc1F ZINC000822267449 606606889 /nfs/dbraw/zinc/60/68/89/606606889.db2.gz UEJOLFUGMLGOJQ-UHFFFAOYSA-N -2 3 379.421 2.067 20 0 GEADHL CC(C)(C)n1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cc(F)ccc2Cl)n1 ZINC000819972018 606608240 /nfs/dbraw/zinc/60/82/40/606608240.db2.gz XHSNIMVBCUBWTD-UHFFFAOYSA-N -2 3 399.839 2.412 20 0 GEADHL C[C@@H]1CCC(=CC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820678143 606626929 /nfs/dbraw/zinc/62/69/29/606626929.db2.gz SUZLPODQCDTBBO-SBMLRHLQSA-N -2 3 381.845 2.071 20 0 GEADHL C[C@@H]1CCC(=CC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820678143 606626931 /nfs/dbraw/zinc/62/69/31/606626931.db2.gz SUZLPODQCDTBBO-SBMLRHLQSA-N -2 3 381.845 2.071 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)ncc1Br ZINC000822209525 606628190 /nfs/dbraw/zinc/62/81/90/606628190.db2.gz MIWPYYUQWBNISN-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)ncc1Br ZINC000822209525 606628191 /nfs/dbraw/zinc/62/81/91/606628191.db2.gz MIWPYYUQWBNISN-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL COc1ccccc1-c1cc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)n[nH]1 ZINC000821877440 606655993 /nfs/dbraw/zinc/65/59/93/606655993.db2.gz KCCVXRMOABVPKO-UHFFFAOYSA-N -2 3 397.420 2.066 20 0 GEADHL COc1ccccc1-c1cc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)n[nH]1 ZINC000821877440 606655994 /nfs/dbraw/zinc/65/59/94/606655994.db2.gz KCCVXRMOABVPKO-UHFFFAOYSA-N -2 3 397.420 2.066 20 0 GEADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)n1 ZINC000822622778 606711222 /nfs/dbraw/zinc/71/12/22/606711222.db2.gz ILOJPBFAJNZVCH-UHFFFAOYSA-N -2 3 381.421 2.068 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1nnc(-c2ccccc2)s1 ZINC000822223944 606779106 /nfs/dbraw/zinc/77/91/06/606779106.db2.gz QCNUIFZJXXILFZ-UHFFFAOYSA-N -2 3 399.461 2.494 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1nnc(-c2ccccc2)s1 ZINC000822223944 606779108 /nfs/dbraw/zinc/77/91/08/606779108.db2.gz QCNUIFZJXXILFZ-UHFFFAOYSA-N -2 3 399.461 2.494 20 0 GEADHL COc1cc(-c2nnn[n-]2)ccc1OCC(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000821701101 606833153 /nfs/dbraw/zinc/83/31/53/606833153.db2.gz BECKBGSEVXDIFX-UHFFFAOYSA-N -2 3 398.404 2.323 20 0 GEADHL COc1cc(-c2nn[n-]n2)ccc1OCC(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000821701101 606833154 /nfs/dbraw/zinc/83/31/54/606833154.db2.gz BECKBGSEVXDIFX-UHFFFAOYSA-N -2 3 398.404 2.323 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cnc1Cl ZINC000822209781 606861612 /nfs/dbraw/zinc/86/16/12/606861612.db2.gz WUYKJNOSQZNCEN-UHFFFAOYSA-N -2 3 386.771 2.303 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cnc1Cl ZINC000822209781 606861614 /nfs/dbraw/zinc/86/16/14/606861614.db2.gz WUYKJNOSQZNCEN-UHFFFAOYSA-N -2 3 386.771 2.303 20 0 GEADHL COc1cc(F)ccc1[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821720204 606864262 /nfs/dbraw/zinc/86/42/62/606864262.db2.gz OYCPOIDLYMOULM-UHFFFAOYSA-N -2 3 385.327 2.093 20 0 GEADHL COc1cc(F)ccc1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821720204 606864263 /nfs/dbraw/zinc/86/42/63/606864263.db2.gz OYCPOIDLYMOULM-UHFFFAOYSA-N -2 3 385.327 2.093 20 0 GEADHL Cn1ccc2c1cccc2[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822689508 606866444 /nfs/dbraw/zinc/86/64/44/606866444.db2.gz KCNOZZQODCRQBI-UHFFFAOYSA-N -2 3 390.375 2.437 20 0 GEADHL Cn1ccc2c1cccc2[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822689508 606866445 /nfs/dbraw/zinc/86/64/45/606866445.db2.gz KCNOZZQODCRQBI-UHFFFAOYSA-N -2 3 390.375 2.437 20 0 GEADHL O=S(=O)([N-]CCc1cccc(Cl)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823579069 606885247 /nfs/dbraw/zinc/88/52/47/606885247.db2.gz ZQUQIRFYJGXAOS-UHFFFAOYSA-N -2 3 399.810 2.319 20 0 GEADHL O=S(=O)([N-][C@H]1CCc2ccc(F)cc21)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572155 606890965 /nfs/dbraw/zinc/89/09/65/606890965.db2.gz CNAXQNAKLWLQBQ-AWEZNQCLSA-N -2 3 395.366 2.250 20 0 GEADHL Cc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)o1 ZINC000822236306 606894433 /nfs/dbraw/zinc/89/44/33/606894433.db2.gz SYTJVSJNULZEJW-VIFPVBQESA-N -2 3 397.407 2.346 20 0 GEADHL CCCCN1CCc2ccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)cc21 ZINC000821065471 607152252 /nfs/dbraw/zinc/15/22/52/607152252.db2.gz JNERWZBVBQEBLW-UHFFFAOYSA-N -2 3 399.480 2.225 20 0 GEADHL CCCCN1CCc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)cc21 ZINC000821065471 607152254 /nfs/dbraw/zinc/15/22/54/607152254.db2.gz JNERWZBVBQEBLW-UHFFFAOYSA-N -2 3 399.480 2.225 20 0 GEADHL Cc1ccc(-c2nn[nH]n2)cc1[N-]S(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000822221514 607155685 /nfs/dbraw/zinc/15/56/85/607155685.db2.gz RVEXGZFFZZIHCP-UHFFFAOYSA-N -2 3 387.421 2.291 20 0 GEADHL O=C(NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1)c1c([O-])cc(F)cc1F ZINC000823266219 607231135 /nfs/dbraw/zinc/23/11/35/607231135.db2.gz OVSFAVKAGYVLNA-UHFFFAOYSA-N -2 3 397.345 2.171 20 0 GEADHL O=C(NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1)c1c([O-])cc(F)cc1F ZINC000823266219 607231136 /nfs/dbraw/zinc/23/11/36/607231136.db2.gz OVSFAVKAGYVLNA-UHFFFAOYSA-N -2 3 397.345 2.171 20 0 GEADHL CC(C)[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824341993 607806207 /nfs/dbraw/zinc/80/62/07/607806207.db2.gz HLFZJKFHQCKIIP-SHTZXODSSA-N -2 3 391.497 2.275 20 0 GEADHL CC(C)[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824341993 607806208 /nfs/dbraw/zinc/80/62/08/607806208.db2.gz HLFZJKFHQCKIIP-SHTZXODSSA-N -2 3 391.497 2.275 20 0 GEADHL CC(C)c1cccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000824352457 607806315 /nfs/dbraw/zinc/80/63/15/607806315.db2.gz DXABREYINKKAKE-UHFFFAOYSA-N -2 3 377.451 2.170 20 0 GEADHL CC(C)c1cccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000824352457 607806316 /nfs/dbraw/zinc/80/63/16/607806316.db2.gz DXABREYINKKAKE-UHFFFAOYSA-N -2 3 377.451 2.170 20 0 GEADHL O=S(=O)([N-]c1c[nH]nc1-c1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826492591 608057816 /nfs/dbraw/zinc/05/78/16/608057816.db2.gz SNXXZSHWXVHNKD-UHFFFAOYSA-N -2 3 385.384 2.197 20 0 GEADHL O=S(=O)([N-]c1c[nH]nc1-c1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826492591 608057817 /nfs/dbraw/zinc/05/78/17/608057817.db2.gz SNXXZSHWXVHNKD-UHFFFAOYSA-N -2 3 385.384 2.197 20 0 GEADHL O=S(=O)([N-]c1scnc1C1CC1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826493595 608095328 /nfs/dbraw/zinc/09/53/28/608095328.db2.gz SJICVSAJVOAIOM-UHFFFAOYSA-N -2 3 384.393 2.280 20 0 GEADHL O=S(=O)([N-]c1scnc1C1CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826493595 608095329 /nfs/dbraw/zinc/09/53/29/608095329.db2.gz SJICVSAJVOAIOM-UHFFFAOYSA-N -2 3 384.393 2.280 20 0 GEADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826334158 608107879 /nfs/dbraw/zinc/10/78/79/608107879.db2.gz KBLFGXAGVHFOLQ-UHFFFAOYSA-N -2 3 388.240 2.016 20 0 GEADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826334158 608107880 /nfs/dbraw/zinc/10/78/80/608107880.db2.gz KBLFGXAGVHFOLQ-UHFFFAOYSA-N -2 3 388.240 2.016 20 0 GEADHL CCC[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C(C)C ZINC000825225558 608185674 /nfs/dbraw/zinc/18/56/74/608185674.db2.gz VKKFIXJSYUNZNK-LLVKDONJSA-N -2 3 385.877 2.397 20 0 GEADHL CCC[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C(C)C ZINC000825225558 608185675 /nfs/dbraw/zinc/18/56/75/608185675.db2.gz VKKFIXJSYUNZNK-LLVKDONJSA-N -2 3 385.877 2.397 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)nn1-c1ccccc1 ZINC000826271129 608220104 /nfs/dbraw/zinc/22/01/04/608220104.db2.gz DOBDOFSVNZRTQR-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)nn1-c1ccccc1 ZINC000826271129 608220105 /nfs/dbraw/zinc/22/01/05/608220105.db2.gz DOBDOFSVNZRTQR-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@H](c1ccccc1)C1CC1 ZINC000826449840 608247964 /nfs/dbraw/zinc/24/79/64/608247964.db2.gz LSEIKSPXDWYISR-QGZVFWFLSA-N -2 3 397.460 2.007 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@H](c1ccccc1)C1CC1 ZINC000826449840 608247965 /nfs/dbraw/zinc/24/79/65/608247965.db2.gz LSEIKSPXDWYISR-QGZVFWFLSA-N -2 3 397.460 2.007 20 0 GEADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1ccc2oc3ccccc3c2c1 ZINC000826492666 608307563 /nfs/dbraw/zinc/30/75/63/608307563.db2.gz XCHVZMMVNCXMIN-UHFFFAOYSA-N -2 3 381.377 2.290 20 0 GEADHL Cc1[n-]n(-c2cc(C)ccc2C)c(=O)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824860550 608493748 /nfs/dbraw/zinc/49/37/48/608493748.db2.gz VNWIENWCFZSLCJ-QGZVFWFLSA-N -2 3 389.419 2.461 20 0 GEADHL Cc1[n-]n(-c2cc(C)ccc2C)c(=O)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824860550 608493749 /nfs/dbraw/zinc/49/37/49/608493749.db2.gz VNWIENWCFZSLCJ-QGZVFWFLSA-N -2 3 389.419 2.461 20 0 GEADHL O=C([N-]OCc1ccc(C(F)(F)F)cc1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826449615 609255029 /nfs/dbraw/zinc/25/50/29/609255029.db2.gz BHCRLQMUIKHDIE-AWEZNQCLSA-N -2 3 393.325 2.167 20 0 GEADHL O=C([N-]OCc1ccc(C(F)(F)F)cc1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826449615 609255030 /nfs/dbraw/zinc/25/50/30/609255030.db2.gz BHCRLQMUIKHDIE-AWEZNQCLSA-N -2 3 393.325 2.167 20 0 GEADHL O=S(=O)([N-]c1cccc2c1OCO2)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826492879 609458066 /nfs/dbraw/zinc/45/80/66/609458066.db2.gz JJIKFWVWMISUOU-UHFFFAOYSA-N -2 3 379.785 2.050 20 0 GEADHL O=S(=O)([N-]c1cccc2c1OCO2)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826492879 609458068 /nfs/dbraw/zinc/45/80/68/609458068.db2.gz JJIKFWVWMISUOU-UHFFFAOYSA-N -2 3 379.785 2.050 20 0 GEADHL CO[C@@H]1Cc2ccc([N-]S(=O)(=O)c3cccc(C)c3-c3nn[n-]n3)cc2C1 ZINC000826147199 609469542 /nfs/dbraw/zinc/46/95/42/609469542.db2.gz PTKWYBQSBXTEIF-OAHLLOKOSA-N -2 3 385.449 2.090 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)nc1Br ZINC000826291335 609500339 /nfs/dbraw/zinc/50/03/39/609500339.db2.gz ARTYUSDMJVTIPW-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL CC(C)Cn1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cn1 ZINC000824280205 609527518 /nfs/dbraw/zinc/52/75/18/609527518.db2.gz GQDWEFMJAAXKPM-UHFFFAOYSA-N -2 3 381.849 2.173 20 0 GEADHL CC(C)Cn1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cn1 ZINC000824280205 609527520 /nfs/dbraw/zinc/52/75/20/609527520.db2.gz GQDWEFMJAAXKPM-UHFFFAOYSA-N -2 3 381.849 2.173 20 0 GEADHL COc1ccc(O)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826210337 609530607 /nfs/dbraw/zinc/53/06/07/609530607.db2.gz NHGYXJZTWBRHKX-UHFFFAOYSA-N -2 3 381.801 2.035 20 0 GEADHL COc1ccc(O)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826210337 609530610 /nfs/dbraw/zinc/53/06/10/609530610.db2.gz NHGYXJZTWBRHKX-UHFFFAOYSA-N -2 3 381.801 2.035 20 0 GEADHL O=C([O-])c1cc(F)c(Br)cc1[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000451077888 650084081 /nfs/dbraw/zinc/08/40/81/650084081.db2.gz KWTANIUORJZDAC-ZETCQYMHSA-N -2 3 382.207 2.207 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1ncccc1[O-] ZINC000460201785 650440041 /nfs/dbraw/zinc/44/00/41/650440041.db2.gz LPFPGBHUJOJPBM-UHFFFAOYSA-N -2 3 375.328 2.430 20 0 GEADHL CCCc1nc(=NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)s[n-]1 ZINC000461948908 650462713 /nfs/dbraw/zinc/46/27/13/650462713.db2.gz ORWQDSVKLOZIRZ-UHFFFAOYSA-N -2 3 378.882 2.095 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)cc1F ZINC000513814107 650569314 /nfs/dbraw/zinc/56/93/14/650569314.db2.gz RNMAGBFIBJYUNM-UHFFFAOYSA-N -2 3 394.833 2.357 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Br)c[nH]c2=O)c(F)c1 ZINC000480209556 650617656 /nfs/dbraw/zinc/61/76/56/650617656.db2.gz NZLTWKJQUATZPQ-UHFFFAOYSA-N -2 3 391.174 2.188 20 0 GEADHL Cc1ncsc1[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000530339420 650722227 /nfs/dbraw/zinc/72/22/27/650722227.db2.gz TVXTUVFAAYYISO-QMMMGPOBSA-N -2 3 397.297 2.380 20 0 GEADHL O=C([O-])[C@H](CN1CCCCC1)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000530541145 650725971 /nfs/dbraw/zinc/72/59/71/650725971.db2.gz ZQRQGEVELHLXCN-JTQLQIEISA-N -2 3 399.271 2.350 20 0 GEADHL O=C([N-][N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1ccccn1 ZINC000007386053 642338911 /nfs/dbraw/zinc/33/89/11/642338911.db2.gz AAURQSGDXQCFTE-UHFFFAOYSA-N -2 3 379.747 2.377 20 0 GEADHL COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@H](C)CC(=O)[O-] ZINC000037417962 642513974 /nfs/dbraw/zinc/51/39/74/642513974.db2.gz NNSUOQBYXMHUNR-ZCFIWIBFSA-N -2 3 386.651 2.253 20 0 GEADHL Cc1c(Br)cccc1S(=O)(=O)[N-][N-]C(=O)NCc1ccccc1 ZINC000189132238 645133708 /nfs/dbraw/zinc/13/37/08/645133708.db2.gz XCTZMOVEONCCCI-UHFFFAOYSA-N -2 3 398.282 2.450 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-][N-]C(=O)c2ccc(Cl)cc2F)c(Cl)n1 ZINC000193332772 645268175 /nfs/dbraw/zinc/26/81/75/645268175.db2.gz TYFRQVXALQGURB-UHFFFAOYSA-N -2 3 378.212 2.459 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CC[C@@H]1C(=O)[O-] ZINC000262236770 645621248 /nfs/dbraw/zinc/62/12/48/645621248.db2.gz VXDGOBGYMWEBTK-IUCAKERBSA-N -2 3 380.344 2.126 20 0 GEADHL O=C([O-])c1csc(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)n1 ZINC000547553846 651031534 /nfs/dbraw/zinc/03/15/34/651031534.db2.gz YJRVOZAHTONPER-UHFFFAOYSA-N -2 3 384.332 2.478 20 0 GEADHL CCc1ncc(S(=O)(=O)[N-][C@@H](Cc2c(F)cccc2Cl)C(=O)[O-])s1 ZINC000547585523 651035990 /nfs/dbraw/zinc/03/59/90/651035990.db2.gz RADQRULVRCOPRX-NSHDSACASA-N -2 3 392.861 2.472 20 0 GEADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](C(=O)[O-])C1CCC1 ZINC000547608474 651038998 /nfs/dbraw/zinc/03/89/98/651038998.db2.gz CULFCLVYIHZEDN-GFCCVEGCSA-N -2 3 383.447 2.220 20 0 GEADHL Cc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)Cc1ccon1 ZINC000547617774 651039649 /nfs/dbraw/zinc/03/96/49/651039649.db2.gz YLWRYXYQANMKFP-UHFFFAOYSA-N -2 3 375.200 2.386 20 0 GEADHL Cc1ncc(S(=O)(=O)[N-][C@@H](Cc2c[nH]c3cc(F)ccc23)C(=O)[O-])s1 ZINC000547869695 651048873 /nfs/dbraw/zinc/04/88/73/651048873.db2.gz NKHHOERQDBHHQG-ZDUSSCGKSA-N -2 3 383.426 2.046 20 0 GEADHL Cc1ncc(S(=O)(=O)[N-][C@H](Cc2c(F)cccc2Cl)C(=O)[O-])s1 ZINC000547940067 651057571 /nfs/dbraw/zinc/05/75/71/651057571.db2.gz QNQMESYOSTVTQK-LLVKDONJSA-N -2 3 378.834 2.218 20 0 GEADHL O=C([O-])[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000548027546 651061410 /nfs/dbraw/zinc/06/14/10/651061410.db2.gz NYUZHYFCUSSOLV-ZDUSSCGKSA-N -2 3 399.266 2.208 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)CCC(=O)[O-])c(Cl)cc1Cl ZINC000274988929 646339540 /nfs/dbraw/zinc/33/95/40/646339540.db2.gz KMNNDDYSJGTNPP-ZETCQYMHSA-N -2 3 384.237 2.312 20 0 GEADHL COC(=O)c1sc(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)c(C)c1Cl ZINC000278659496 646535730 /nfs/dbraw/zinc/53/57/30/646535730.db2.gz KEQJZNRGERBLDV-UHFFFAOYSA-N -2 3 395.886 2.418 20 0 GEADHL Cc1oc(C[N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)cc1C(=O)[O-] ZINC000281717116 646791738 /nfs/dbraw/zinc/79/17/38/646791738.db2.gz CTWVKWRVIYYBAU-UHFFFAOYSA-N -2 3 387.797 2.189 20 0 GEADHL COc1cccc(C)c1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000435716423 648785898 /nfs/dbraw/zinc/78/58/98/648785898.db2.gz FTXGLJNRAQKLCS-UHFFFAOYSA-N -2 3 388.442 2.315 20 0 GEADHL O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1cc(F)cc(Br)c1[O-] ZINC000436854539 648797338 /nfs/dbraw/zinc/79/73/38/648797338.db2.gz GEJIEVGTOAFIDF-UHFFFAOYSA-N -2 3 392.188 2.404 20 0 GEADHL O=C(NCc1ccc(-c2nn[n-]n2)cc1)c1cc(F)cc(Br)c1[O-] ZINC000436854539 648797341 /nfs/dbraw/zinc/79/73/41/648797341.db2.gz GEJIEVGTOAFIDF-UHFFFAOYSA-N -2 3 392.188 2.404 20 0 GEADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](C)CCC[C@@H](C)C(=O)[O-] ZINC000548590809 651081252 /nfs/dbraw/zinc/08/12/52/651081252.db2.gz ZHPDXIKNIFFQOF-MNOVXSKESA-N -2 3 375.418 2.170 20 0 GEADHL CO[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)CC(=O)[O-] ZINC000551999328 651137134 /nfs/dbraw/zinc/13/71/34/651137134.db2.gz VWDGGNININJEOW-QMMMGPOBSA-N -2 3 375.752 2.127 20 0 GEADHL O=C([O-])C1([N-]S(=O)(=O)c2cccc(Br)c2Cl)CCOCC1 ZINC000556418329 651243975 /nfs/dbraw/zinc/24/39/75/651243975.db2.gz QCRKEXJKSNDHKN-UHFFFAOYSA-N -2 3 398.662 2.015 20 0 GEADHL C[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1ncc(C(=O)[O-])s1 ZINC000565657999 651596495 /nfs/dbraw/zinc/59/64/95/651596495.db2.gz HWQLLXBBCUFURT-LURJTMIESA-N -2 3 381.357 2.295 20 0 GEADHL COc1cc(C)c([C@@H](C)[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1OC ZINC000645950439 651671066 /nfs/dbraw/zinc/67/10/66/651671066.db2.gz QYSUSJUWJCXMSY-SECBINFHSA-N -2 3 386.451 2.206 20 0 GEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000645955067 651671646 /nfs/dbraw/zinc/67/16/46/651671646.db2.gz JNSCGDWLHZMIOS-OCCSQVGLSA-N -2 3 382.463 2.288 20 0 GEADHL CCc1cc(C[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])on1 ZINC000645967042 651672334 /nfs/dbraw/zinc/67/23/34/651672334.db2.gz LVLPCFYSIYKQIH-UHFFFAOYSA-N -2 3 378.328 2.433 20 0 GEADHL CSc1cc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)ccn1 ZINC000611231536 651714727 /nfs/dbraw/zinc/71/47/27/651714727.db2.gz UXGMEGVXGPNKTB-UHFFFAOYSA-N -2 3 391.471 2.115 20 0 GEADHL O=S(=O)([N-]c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ncc[nH]1 ZINC000647920762 651764891 /nfs/dbraw/zinc/76/48/91/651764891.db2.gz HMDBQKHTQOXUOL-UHFFFAOYSA-N -2 3 378.435 2.011 20 0 GEADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2csc(Cc3ccccc3)n2)s1 ZINC000615885206 651881615 /nfs/dbraw/zinc/88/16/15/651881615.db2.gz ORKZIQLFOVROHD-UHFFFAOYSA-N -2 3 395.491 2.209 20 0 GEADHL CC(C)[C@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000655568342 651990693 /nfs/dbraw/zinc/99/06/93/651990693.db2.gz HYWZHHDIQJZYSQ-NSHDSACASA-N -2 3 381.226 2.377 20 0 GEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cccc(C)c2Br)c[n-]1 ZINC000618907185 652037904 /nfs/dbraw/zinc/03/79/04/652037904.db2.gz YPJJTXQDTFSDBO-UHFFFAOYSA-N -2 3 388.243 2.458 20 0 GEADHL CC(=O)c1ccc([O-])c(CCOC(=O)c2sccc2[N-]S(C)(=O)=O)c1 ZINC000744795795 652060983 /nfs/dbraw/zinc/06/09/83/652060983.db2.gz NEDVCMWKTQYFGK-UHFFFAOYSA-N -2 3 383.447 2.427 20 0 GEADHL Cc1cc(=O)n(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000751143139 652326194 /nfs/dbraw/zinc/32/61/94/652326194.db2.gz VVZSOFDJSRZOEW-UHFFFAOYSA-N -2 3 391.232 2.500 20 0 GEADHL O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)c1c([O-])cccc1Cl ZINC000752632715 652390754 /nfs/dbraw/zinc/39/07/54/652390754.db2.gz XYTHPQSZRWRTMP-UHFFFAOYSA-N -2 3 395.289 2.469 20 0 GEADHL C[C@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C[C@H]1C(=O)[O-] ZINC000582062936 652434113 /nfs/dbraw/zinc/43/41/13/652434113.db2.gz HONMOCYSUTYGOO-JOYOIKCWSA-N -2 3 393.237 2.473 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COC(=O)c1sc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CC2)c(C)c1Cl ZINC000788442293 653756610 /nfs/dbraw/zinc/75/66/10/653756610.db2.gz NIUWDIPQMBJICJ-MRVPVSSYSA-N -2 3 381.859 2.028 20 0 GEADHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cc(Br)c[nH]c2=O)c1 ZINC000790403477 653790839 /nfs/dbraw/zinc/79/08/39/653790839.db2.gz JNWYGHSMGQOJOI-UHFFFAOYSA-N -2 3 391.174 2.188 20 0 GEADHL Cc1ccccc1C[C@H](C[N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C(=O)[O-] ZINC000844789127 653818204 /nfs/dbraw/zinc/81/82/04/653818204.db2.gz NZXAZDUUAFXSSE-GFCCVEGCSA-N -2 3 386.832 2.404 20 0 GEADHL C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)CC1 ZINC000844817905 653820211 /nfs/dbraw/zinc/82/02/11/653820211.db2.gz RXIAEGNLJISSKT-LURJTMIESA-N -2 3 383.651 2.029 20 0 GEADHL CC(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CCO1 ZINC000844900014 653828377 /nfs/dbraw/zinc/82/83/77/653828377.db2.gz YYXKYIDFXOXDRJ-IUCAKERBSA-N -2 3 396.259 2.222 20 0 GEADHL CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)(F)F)c1 ZINC000794767865 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391.314 2.295 20 0 GEADHL O=C([O-])C1(NC(=O)NCc2ccc([O-])c(Br)c2)CCSCC1 ZINC000909158429 654654430 /nfs/dbraw/zinc/65/44/30/654654430.db2.gz BWODUDWELQVLBT-UHFFFAOYSA-N -2 3 389.271 2.304 20 0 GEADHL CS(=O)(=O)c1nc([N-]C(=O)c2csc(-c3ccccc3Cl)n2)n[n-]1 ZINC000067157714 531878678 /nfs/dbraw/zinc/87/86/78/531878678.db2.gz CAXIZKKIMLGVQP-UHFFFAOYSA-N -2 3 383.842 2.237 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCSC2)c(Br)s1 ZINC000169170066 531882434 /nfs/dbraw/zinc/88/24/34/531882434.db2.gz PZABJSRAQPUKSE-ZCFIWIBFSA-N -2 3 386.314 2.383 20 0 GEADHL CC[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000122282483 532063749 /nfs/dbraw/zinc/06/37/49/532063749.db2.gz UHSCUOKXPZRSJN-NWDGAFQWSA-N -2 3 378.491 2.444 20 0 GEADHL COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@](C)(CC(=O)[O-])C(C)C ZINC000516058550 532378152 /nfs/dbraw/zinc/37/81/52/532378152.db2.gz GHHQIEPPEDHVFH-MRXNPFEDSA-N -2 3 377.434 2.019 20 0 GEADHL CC(C)c1nc(S(=O)(=O)[N-]C[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])c[nH]1 ZINC000681572467 532432130 /nfs/dbraw/zinc/43/21/30/532432130.db2.gz YEDNVCWSEGBLQK-GFCCVEGCSA-N -2 3 385.873 2.408 20 0 GEADHL Cc1cc(CS(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)on1 ZINC000681568429 532430539 /nfs/dbraw/zinc/43/05/39/532430539.db2.gz NFLCTFRQIOJGPF-GFCCVEGCSA-N -2 3 378.328 2.247 20 0 GEADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C ZINC000518038591 532433609 /nfs/dbraw/zinc/43/36/09/532433609.db2.gz GSUCNEIWHUIRPE-JTQLQIEISA-N -2 3 398.250 2.374 20 0 GEADHL COC1(C[C@H]([N-]S(=O)(=O)c2ccc(Br)s2)C(=O)[O-])CCC1 ZINC000650431783 532446888 /nfs/dbraw/zinc/44/68/88/532446888.db2.gz BUDGEQSTCCQUIV-QMMMGPOBSA-N -2 3 398.300 2.201 20 0 GEADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cccc2c1OCCCO2)c1cccs1 ZINC000650437417 532447840 /nfs/dbraw/zinc/44/78/40/532447840.db2.gz HEBLAXUNYLSEHM-LLVKDONJSA-N -2 3 383.447 2.404 20 0 GEADHL CO[C@@H](C)CS(=O)(=O)[N-]c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000282292334 532453959 /nfs/dbraw/zinc/45/39/59/532453959.db2.gz WDHPQGHAGWDKRM-ZDUSSCGKSA-N -2 3 384.479 2.264 20 0 GEADHL Cc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3c(Cl)cnn3C)c2)n1 ZINC000373765820 532468919 /nfs/dbraw/zinc/46/89/19/532468919.db2.gz KKMDULMGHMEWEX-UHFFFAOYSA-N -2 3 379.829 2.345 20 0 GEADHL COc1ccc(F)cc1S(=O)(=O)[N-][C@H](CSCC=C(C)C)C(=O)[O-] ZINC000593256744 532477448 /nfs/dbraw/zinc/47/74/48/532477448.db2.gz NQTYSEZKTTVOAJ-GFCCVEGCSA-N -2 3 377.459 2.265 20 0 GEADHL CCOC1(CS(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)CCOCC1 ZINC000629289336 532484843 /nfs/dbraw/zinc/48/48/43/532484843.db2.gz PBBQTESEZMPJEG-UHFFFAOYSA-N -2 3 377.846 2.366 20 0 GEADHL O=C([O-])c1csc(S(=O)(=O)[N-]C2(c3noc(C4CC4)n3)CCCC2)c1 ZINC000520402973 532491613 /nfs/dbraw/zinc/49/16/13/532491613.db2.gz AQKCZCXVGMJSNE-UHFFFAOYSA-N -2 3 383.451 2.455 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCO1 ZINC000630421449 532518828 /nfs/dbraw/zinc/51/88/28/532518828.db2.gz FMYWXPNGMPKNTC-KOLCDFICSA-N -2 3 387.763 2.269 20 0 GEADHL Cc1nc(C[N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)sc1C(=O)[O-] ZINC000374446054 532504382 /nfs/dbraw/zinc/50/43/82/532504382.db2.gz FYAJMLQZTPUBAX-UHFFFAOYSA-N -2 3 382.463 2.342 20 0 GEADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCO[C@H](C(C)C)C1 ZINC000564919464 532536642 /nfs/dbraw/zinc/53/66/42/532536642.db2.gz UOSDHIADBKSOKR-AAEUAGOBSA-N -2 3 375.418 2.014 20 0 GEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]C[C@H](OC)C(C)(C)C ZINC000564917731 532537457 /nfs/dbraw/zinc/53/74/57/532537457.db2.gz BQFQRYPWAQDSKV-LBPRGKRZSA-N -2 3 379.862 2.386 20 0 GEADHL COCCOc1ccc(F)cc1S(=O)(=O)[N-]CCCC(C)(C)C(=O)[O-] ZINC000526060107 532537535 /nfs/dbraw/zinc/53/75/35/532537535.db2.gz WWUFDODBCDZHLI-UHFFFAOYSA-N -2 3 377.434 2.020 20 0 GEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H]1OC ZINC000564923396 532538334 /nfs/dbraw/zinc/53/83/34/532538334.db2.gz IMJYTNRPTGYZDB-SKDRFNHKSA-N -2 3 377.846 2.140 20 0 GEADHL CCCCc1cc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)[nH]n1 ZINC000471524114 532552295 /nfs/dbraw/zinc/55/22/95/532552295.db2.gz WHTZSXLTWYPLHQ-UHFFFAOYSA-N -2 3 390.462 2.064 20 0 GEADHL CCCCc1cc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)n[nH]1 ZINC000471524114 532552300 /nfs/dbraw/zinc/55/23/00/532552300.db2.gz WHTZSXLTWYPLHQ-UHFFFAOYSA-N -2 3 390.462 2.064 20 0 GEADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C ZINC000283822886 532560118 /nfs/dbraw/zinc/56/01/18/532560118.db2.gz FPTUIERPZUNFKI-RNCFNFMXSA-N -2 3 379.862 2.284 20 0 GEADHL CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)no1 ZINC000433390213 532567891 /nfs/dbraw/zinc/56/78/91/532567891.db2.gz NNRVENGGEDWQOY-UHFFFAOYSA-N -2 3 391.446 2.284 20 0 GEADHL Cc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)[C@H]1CCO[C@H]1C ZINC000565058740 532545774 /nfs/dbraw/zinc/54/57/74/532545774.db2.gz ZIQHBYWNBRMZSD-WPRPVWTQSA-N -2 3 378.244 2.375 20 0 GEADHL CO[C@@H](C)c1nc(=NC(=O)NCc2ccc([O-])c(Br)c2)s[n-]1 ZINC000565920175 532584875 /nfs/dbraw/zinc/58/48/75/532584875.db2.gz PZANOPZYNNVHFS-ZETCQYMHSA-N -2 3 387.259 2.457 20 0 GEADHL CCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC)C(=O)[O-] ZINC000262338544 532589974 /nfs/dbraw/zinc/58/99/74/532589974.db2.gz CFKACHJVYQJXLD-JQWIXIFHSA-N -2 3 379.862 2.285 20 0 GEADHL COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1Cl ZINC000433520960 532572190 /nfs/dbraw/zinc/57/21/90/532572190.db2.gz JYZSUNXWSGZDDX-UHFFFAOYSA-N -3 3 385.781 2.331 20 0 GEADHL CC1(C)C[C@H](S(=O)(=O)[N-]c2cccc(Br)c2C(=O)[O-])CO1 ZINC000530143372 532617371 /nfs/dbraw/zinc/61/73/71/532617371.db2.gz MAQCRVIFLNPUND-QMMMGPOBSA-N -2 3 378.244 2.457 20 0 GEADHL Cc1c([C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C(=O)[O-])cnn1C ZINC000530435487 532619689 /nfs/dbraw/zinc/61/96/89/532619689.db2.gz KKMBRCPHDCYRTF-LLVKDONJSA-N -2 3 378.237 2.140 20 0 GEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@@H](C)Cc1ccccn1 ZINC000656179824 532608820 /nfs/dbraw/zinc/60/88/20/532608820.db2.gz ATUYZXJSZJGZKY-JTQLQIEISA-N -2 3 384.841 2.351 20 0 GEADHL COc1cc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)ccc1F ZINC000436159602 532627983 /nfs/dbraw/zinc/62/79/83/532627983.db2.gz ZJXCDBIGRSYVND-UHFFFAOYSA-N -2 3 392.405 2.146 20 0 GEADHL CO[C@H](CS(=O)(=O)[N-]c1cc(C(=O)[O-])c(Cl)cc1C)[C@@H]1CCOC1 ZINC000656630880 532628010 /nfs/dbraw/zinc/62/80/10/532628010.db2.gz GDHINULGGCDGIG-QMTHXVAHSA-N -2 3 377.846 2.140 20 0 GEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@@H]1[C@H](C)[C@@H](OC)C1(C)C ZINC000567231776 532646325 /nfs/dbraw/zinc/64/63/25/532646325.db2.gz SUOSJSPHPGIIGT-MCCGJVOXSA-N -2 3 391.873 2.385 20 0 GEADHL COCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000285047570 532642518 /nfs/dbraw/zinc/64/25/18/532642518.db2.gz JKYXMTPPHBSQPM-SECBINFHSA-N -2 3 375.752 2.127 20 0 GEADHL CCC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000285096266 532647269 /nfs/dbraw/zinc/64/72/69/532647269.db2.gz MBNXSOLKYIOKBZ-SNVBAGLBSA-N -2 3 387.763 2.460 20 0 GEADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)c1 ZINC000436993482 532647809 /nfs/dbraw/zinc/64/78/09/532647809.db2.gz CMWRVXDRQHNYIA-UHFFFAOYSA-N -3 3 377.403 2.410 20 0 GEADHL O=C([O-])CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000485527858 532685248 /nfs/dbraw/zinc/68/52/48/532685248.db2.gz DPJVVHXIONOVDA-UHFFFAOYSA-N -2 3 386.788 2.094 20 0 GEADHL Cc1ccsc1CC[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000536905605 532700018 /nfs/dbraw/zinc/70/00/18/532700018.db2.gz TUKCIFAFQPOSFW-UHFFFAOYSA-N -2 3 392.499 2.088 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cc(C(C)C)[nH]n2)cc1F ZINC000537268183 532705394 /nfs/dbraw/zinc/70/53/94/532705394.db2.gz POKFLURCNAMGIZ-UHFFFAOYSA-N -2 3 390.462 2.235 20 0 GEADHL COc1cc(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccs2)cc1OC ZINC000392473837 532708928 /nfs/dbraw/zinc/70/89/28/532708928.db2.gz VJJPNACYXSPOLF-ZDUSSCGKSA-N -2 3 375.399 2.009 20 0 GEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000580441172 532747247 /nfs/dbraw/zinc/74/72/47/532747247.db2.gz IANGPOREUFJBKR-NEPJUHHUSA-N -2 3 386.426 2.179 20 0 GEADHL O=C([O-])[C@H](Cc1ccco1)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000541910317 532762215 /nfs/dbraw/zinc/76/22/15/532762215.db2.gz WYXNLEXGDMGKMA-JTQLQIEISA-N -2 3 392.202 2.155 20 0 GEADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000583341254 532765294 /nfs/dbraw/zinc/76/52/94/532765294.db2.gz JOWNSSGQCDMAIV-UHFFFAOYSA-N -2 3 389.838 2.349 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2F)c(F)c1 ZINC000451593443 532765543 /nfs/dbraw/zinc/76/55/43/532765543.db2.gz PXSBLPWFVGKZOU-YPMHNXCESA-N -2 3 382.454 2.146 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](C)[C@@H](C(=O)[O-])C(C)C)cc1Cl ZINC000583747830 532766550 /nfs/dbraw/zinc/76/65/50/532766550.db2.gz GDRXKUYFGYJPFB-CLAHSXSESA-N -2 3 394.852 2.461 20 0 GEADHL Cc1cncc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)C(C)C)c(F)c2)c1 ZINC000269699132 532786526 /nfs/dbraw/zinc/78/65/26/532786526.db2.gz XMOGQPIXGAIPHM-UHFFFAOYSA-N -2 3 387.458 2.480 20 0 GEADHL CC[C@](C)(C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000547568738 532786723 /nfs/dbraw/zinc/78/67/23/532786723.db2.gz NUTYZHFMNHGSEM-GFCCVEGCSA-N -2 3 395.231 2.137 20 0 GEADHL CC(C)Cn1cnc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000547609383 532787381 /nfs/dbraw/zinc/78/73/81/532787381.db2.gz QQHSOPYECFYSOO-CQSZACIVSA-N -2 3 389.836 2.436 20 0 GEADHL CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cncc(Br)c1)C(=O)[O-] ZINC000547609622 532787698 /nfs/dbraw/zinc/78/76/98/532787698.db2.gz UENDUPSQQSBHGU-SKDRFNHKSA-N -2 3 379.276 2.402 20 0 GEADHL CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)oc1CC)C(=O)[O-] ZINC000547609375 532787765 /nfs/dbraw/zinc/78/77/65/532787765.db2.gz QPUGJUFWONVYNC-QWRGUYRKSA-N -2 3 375.443 2.186 20 0 GEADHL Cc1cc(S(=O)(=O)[N-][C@H](Cc2ccc(O)cc2)C(=O)[O-])sc1Cl ZINC000323081676 532788715 /nfs/dbraw/zinc/78/87/15/532788715.db2.gz UJUGXINRSORDGF-LLVKDONJSA-N -2 3 375.855 2.390 20 0 GEADHL O=C([O-])c1csc(C[N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)n1 ZINC000548208642 532789301 /nfs/dbraw/zinc/78/93/01/532789301.db2.gz XWZNKWQZRULPPV-UHFFFAOYSA-N -2 3 396.368 2.261 20 0 GEADHL O=C([O-])C1([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CCOCC1 ZINC000325422283 532789282 /nfs/dbraw/zinc/78/92/82/532789282.db2.gz OJUCZHAFQRAJCA-UHFFFAOYSA-N -2 3 387.763 2.271 20 0 GEADHL CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](C)CCCCC(=O)[O-])c1 ZINC000548223896 532789829 /nfs/dbraw/zinc/78/98/29/532789829.db2.gz UCLGUSNPCBDBPK-NSHDSACASA-N -2 3 375.418 2.314 20 0 GEADHL CC[C@@](C)([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(F)(F)F ZINC000548473915 532791218 /nfs/dbraw/zinc/79/12/18/532791218.db2.gz IBYVOOSDPUXCAQ-LLVKDONJSA-N -2 3 392.396 2.207 20 0 GEADHL N#Cc1ccc(S(=O)(=O)[N-][C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])s1 ZINC000328100116 532793981 /nfs/dbraw/zinc/79/39/81/532793981.db2.gz WMXFVPVKQQLSAA-AWEZNQCLSA-N -2 3 375.431 2.075 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2nc(C3CC3)cs2)cc1F ZINC000269398776 532781214 /nfs/dbraw/zinc/78/12/14/532781214.db2.gz YQNDALGYBFYGQS-UHFFFAOYSA-N -2 3 391.471 2.332 20 0 GEADHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1OC(F)(F)F)c1csnn1 ZINC000414393771 532824442 /nfs/dbraw/zinc/82/44/42/532824442.db2.gz ONZMDDSWYFPIIC-ZCFIWIBFSA-N -2 3 397.356 2.174 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCCOC[C@@H]2CCCO2)c(Cl)cc1F ZINC000273611033 532828021 /nfs/dbraw/zinc/82/80/21/532828021.db2.gz AGYZPOWAFIEZOG-JTQLQIEISA-N -2 3 395.836 2.041 20 0 GEADHL CCC(CC)([N-]S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1)C(N)=O ZINC000273702102 532831710 /nfs/dbraw/zinc/83/17/10/532831710.db2.gz NTRXDCOUARAYSS-UHFFFAOYSA-N -2 3 383.253 2.014 20 0 GEADHL CO[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br)C(C)C ZINC000273720382 532832442 /nfs/dbraw/zinc/83/24/42/532832442.db2.gz MHUWYRRLEMIVAG-ZETCQYMHSA-N -2 3 386.289 2.158 20 0 GEADHL C[C@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000273731233 532832469 /nfs/dbraw/zinc/83/24/69/532832469.db2.gz NMVLGAKATJWIQW-SDBXPKJASA-N -2 3 393.292 2.453 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2COC3(CCCC3)O2)c(Cl)cc1F ZINC000273728663 532832822 /nfs/dbraw/zinc/83/28/22/532832822.db2.gz ROKPLJRFLKGWAT-VIFPVBQESA-N -2 3 393.820 2.141 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C)cc1Cl ZINC000275001470 532861267 /nfs/dbraw/zinc/86/12/67/532861267.db2.gz LXKICFNKYQSGOJ-LLVKDONJSA-N -2 3 380.825 2.215 20 0 GEADHL COCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000275154840 532866532 /nfs/dbraw/zinc/86/65/32/532866532.db2.gz ZFRYDQRKLFPFOE-SECBINFHSA-N -2 3 375.752 2.127 20 0 GEADHL Cc1nc(C)c(S(=O)(=O)[N-]CCCc2nc(C)c(C(=O)[O-])s2)s1 ZINC000275198498 532868410 /nfs/dbraw/zinc/86/84/10/532868410.db2.gz GJMHSAMFPNWQRE-UHFFFAOYSA-N -2 3 375.497 2.134 20 0 GEADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccc(Cl)c(C)c1 ZINC000275291990 532871378 /nfs/dbraw/zinc/87/13/78/532871378.db2.gz POJBHMOGNUVWNO-LLVKDONJSA-N -2 3 392.264 2.448 20 0 GEADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C(C)(C)C[C@@H](C)C(=O)[O-] ZINC000275298510 532871448 /nfs/dbraw/zinc/87/14/48/532871448.db2.gz VGNCABQZPPUGDY-SECBINFHSA-N -2 3 377.846 2.294 20 0 GEADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])s1 ZINC000275290190 532871524 /nfs/dbraw/zinc/87/15/24/532871524.db2.gz PDTKNDMVBHMMPV-UHFFFAOYSA-N -2 3 393.483 2.247 20 0 GEADHL CSc1nnc(C[N-]S(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)s1 ZINC000275580742 532879617 /nfs/dbraw/zinc/87/96/17/532879617.db2.gz IUTNVEMHSPRHRT-UHFFFAOYSA-N -2 3 393.899 2.399 20 0 GEADHL CCc1nnc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)s1 ZINC000290473290 532881407 /nfs/dbraw/zinc/88/14/07/532881407.db2.gz FLDYOCBXSKWLSC-UHFFFAOYSA-N -2 3 375.859 2.239 20 0 GEADHL O=C([O-])[C@@H]1C=C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Br)C1 ZINC000276894150 532903137 /nfs/dbraw/zinc/90/31/37/532903137.db2.gz KPYOFUVWBJXORT-SFYZADRCSA-N -2 3 380.647 2.410 20 0 GEADHL CSCC[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)[N-]OC/C=C/Cl ZINC000291872704 532909895 /nfs/dbraw/zinc/90/98/95/532909895.db2.gz PQMHHICPNHQOFV-WNPFHQFXSA-N -2 3 396.893 2.026 20 0 GEADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1Cl ZINC000738215917 598844062 /nfs/dbraw/zinc/84/40/62/598844062.db2.gz SQIJJSVYSRTTJW-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000738215917 598844063 /nfs/dbraw/zinc/84/40/63/598844063.db2.gz SQIJJSVYSRTTJW-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL O=S(=O)([N-]c1ccc(-c2cnco2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738346002 598844401 /nfs/dbraw/zinc/84/44/01/598844401.db2.gz VMEPYYBXUZHREH-UHFFFAOYSA-N -2 3 386.368 2.462 20 0 GEADHL O=S(=O)([N-]c1ccc(-c2cnco2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738346002 598844402 /nfs/dbraw/zinc/84/44/02/598844402.db2.gz VMEPYYBXUZHREH-UHFFFAOYSA-N -2 3 386.368 2.462 20 0 GEADHL CC(C)[C@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735710190 598909200 /nfs/dbraw/zinc/90/92/00/598909200.db2.gz NBXHEPIPPSMJCQ-KRWDZBQOSA-N -2 3 399.476 2.187 20 0 GEADHL CC(C)[C@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735710190 598909201 /nfs/dbraw/zinc/90/92/01/598909201.db2.gz NBXHEPIPPSMJCQ-KRWDZBQOSA-N -2 3 399.476 2.187 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cnc(-c2ccccc2)nc1 ZINC000737301946 598930887 /nfs/dbraw/zinc/93/08/87/598930887.db2.gz XTCVICDZPABHSX-UHFFFAOYSA-N -2 3 393.432 2.433 20 0 GEADHL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737509954 599019128 /nfs/dbraw/zinc/01/91/28/599019128.db2.gz QMBUJFAWZJUVDZ-UHFFFAOYSA-N -2 3 379.421 2.201 20 0 GEADHL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737509954 599019130 /nfs/dbraw/zinc/01/91/30/599019130.db2.gz QMBUJFAWZJUVDZ-UHFFFAOYSA-N -2 3 379.421 2.201 20 0 GEADHL Cc1ccc(Cn2nccc2[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)o1 ZINC000737343418 599029990 /nfs/dbraw/zinc/02/99/90/599029990.db2.gz OXHXOVVDZKDAOF-UHFFFAOYSA-N -2 3 399.436 2.122 20 0 GEADHL Cc1ccc(Cn2nccc2[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)o1 ZINC000737343418 599029992 /nfs/dbraw/zinc/02/99/92/599029992.db2.gz OXHXOVVDZKDAOF-UHFFFAOYSA-N -2 3 399.436 2.122 20 0 GEADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccnn1-c1ccccc1 ZINC000822154042 599234467 /nfs/dbraw/zinc/23/44/67/599234467.db2.gz UDYFVIPNFFNXIJ-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccnn1-c1ccccc1 ZINC000822154042 599234469 /nfs/dbraw/zinc/23/44/69/599234469.db2.gz UDYFVIPNFFNXIJ-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL O=C([O-])[C@H]1CCCN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000821399978 597663344 /nfs/dbraw/zinc/66/33/44/597663344.db2.gz SYERDAGOCZFASQ-QZTJIDSGSA-N -2 3 382.416 2.329 20 0 GEADHL C[C@@H](CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000735974845 598306512 /nfs/dbraw/zinc/30/65/12/598306512.db2.gz JZOGHOACFPYBTK-ZDUSSCGKSA-N -2 3 391.497 2.419 20 0 GEADHL C[C@@H](CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000735974845 598306513 /nfs/dbraw/zinc/30/65/13/598306513.db2.gz JZOGHOACFPYBTK-ZDUSSCGKSA-N -2 3 391.497 2.419 20 0 GEADHL CCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000736312629 598372191 /nfs/dbraw/zinc/37/21/91/598372191.db2.gz IUAVFUFVXRPNIE-UHFFFAOYSA-N -2 3 391.375 2.127 20 0 GEADHL CCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000736312629 598372193 /nfs/dbraw/zinc/37/21/93/598372193.db2.gz IUAVFUFVXRPNIE-UHFFFAOYSA-N -2 3 391.375 2.127 20 0 GEADHL Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737441292 598400080 /nfs/dbraw/zinc/40/00/80/598400080.db2.gz CUZXKKAREWEAMR-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737441292 598400081 /nfs/dbraw/zinc/40/00/81/598400081.db2.gz CUZXKKAREWEAMR-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n(-c2ccc(F)cc2)n1 ZINC000737281701 598438154 /nfs/dbraw/zinc/43/81/54/598438154.db2.gz WIOJKYJLLIXGFV-UHFFFAOYSA-N -2 3 399.411 2.301 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n(-c2ccc(F)cc2)n1 ZINC000737281701 598438156 /nfs/dbraw/zinc/43/81/56/598438156.db2.gz WIOJKYJLLIXGFV-UHFFFAOYSA-N -2 3 399.411 2.301 20 0 GEADHL CC(C)(C)c1ccccc1C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819958066 607356894 /nfs/dbraw/zinc/35/68/94/607356894.db2.gz HNPZTCOPLRDUOJ-UHFFFAOYSA-N -2 3 385.449 2.283 20 0 GEADHL CC(C)(C)c1ccccc1C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819958066 607356896 /nfs/dbraw/zinc/35/68/96/607356896.db2.gz HNPZTCOPLRDUOJ-UHFFFAOYSA-N -2 3 385.449 2.283 20 0 GEADHL Cc1cc(F)ccc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822205610 607358808 /nfs/dbraw/zinc/35/88/08/607358808.db2.gz AEUUSBPINPNBFT-UHFFFAOYSA-N -2 3 395.803 2.086 20 0 GEADHL Cc1cc(F)ccc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822205610 607358810 /nfs/dbraw/zinc/35/88/10/607358810.db2.gz AEUUSBPINPNBFT-UHFFFAOYSA-N -2 3 395.803 2.086 20 0 GEADHL Cc1n[nH]cc1S(=O)(=O)[N-]c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737202937 598675552 /nfs/dbraw/zinc/67/55/52/598675552.db2.gz PZLXQNHBDUICPB-UHFFFAOYSA-N -2 3 397.420 2.491 20 0 GEADHL CC[C@H](CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736332490 598786419 /nfs/dbraw/zinc/78/64/19/598786419.db2.gz NKIKKRQYWWCOFF-OAHLLOKOSA-N -2 3 399.476 2.397 20 0 GEADHL CC[C@H](CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736332490 598786420 /nfs/dbraw/zinc/78/64/20/598786420.db2.gz NKIKKRQYWWCOFF-OAHLLOKOSA-N -2 3 399.476 2.397 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)c1cccc(C(F)F)c1 ZINC000738138088 598799922 /nfs/dbraw/zinc/79/99/22/598799922.db2.gz DJOAMQRDGVUMOX-UHFFFAOYSA-N -2 3 393.375 2.064 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)c1cccc(C(F)F)c1 ZINC000738138088 598799923 /nfs/dbraw/zinc/79/99/23/598799923.db2.gz DJOAMQRDGVUMOX-UHFFFAOYSA-N -2 3 393.375 2.064 20 0 GEADHL C[C@H](NC(=O)c1nn(-c2ccccc2F)cc1[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820402853 599555210 /nfs/dbraw/zinc/55/52/10/599555210.db2.gz GPISNYTWAJKLIM-NSHDSACASA-N -2 3 393.382 2.388 20 0 GEADHL CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000821051160 599619803 /nfs/dbraw/zinc/61/98/03/599619803.db2.gz YTARGGWAXHBCJP-CYBMUJFWSA-N -2 3 379.486 2.419 20 0 GEADHL CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000821051160 599619804 /nfs/dbraw/zinc/61/98/04/599619804.db2.gz YTARGGWAXHBCJP-CYBMUJFWSA-N -2 3 379.486 2.419 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000823285060 599620193 /nfs/dbraw/zinc/62/01/93/599620193.db2.gz MSFGMMUABDHWDP-HZPDHXFCSA-N -2 3 389.481 2.029 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000823285060 599620194 /nfs/dbraw/zinc/62/01/94/599620194.db2.gz MSFGMMUABDHWDP-HZPDHXFCSA-N -2 3 389.481 2.029 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000823285720 599620464 /nfs/dbraw/zinc/62/04/64/599620464.db2.gz ZSQBTXUBIYQPSJ-CVEARBPZSA-N -2 3 389.481 2.029 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000823285720 599620465 /nfs/dbraw/zinc/62/04/65/599620465.db2.gz ZSQBTXUBIYQPSJ-CVEARBPZSA-N -2 3 389.481 2.029 20 0 GEADHL CCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000821007558 599620471 /nfs/dbraw/zinc/62/04/71/599620471.db2.gz ALYPTECZEPCBEQ-QMMMGPOBSA-N -2 3 391.375 2.127 20 0 GEADHL CCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000821007558 599620472 /nfs/dbraw/zinc/62/04/72/599620472.db2.gz ALYPTECZEPCBEQ-QMMMGPOBSA-N -2 3 391.375 2.127 20 0 GEADHL CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821048355 599621580 /nfs/dbraw/zinc/62/15/80/599621580.db2.gz BJDXNTSTZSDAST-ZDUSSCGKSA-N -2 3 379.486 2.419 20 0 GEADHL CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821048355 599621581 /nfs/dbraw/zinc/62/15/81/599621581.db2.gz BJDXNTSTZSDAST-ZDUSSCGKSA-N -2 3 379.486 2.419 20 0 GEADHL CCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821050577 599621784 /nfs/dbraw/zinc/62/17/84/599621784.db2.gz SDEYYRCUAYLHTM-ZDUSSCGKSA-N -2 3 379.486 2.419 20 0 GEADHL CCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821050577 599621785 /nfs/dbraw/zinc/62/17/85/599621785.db2.gz SDEYYRCUAYLHTM-ZDUSSCGKSA-N -2 3 379.486 2.419 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C1CCCCCCC1 ZINC000822222951 599624606 /nfs/dbraw/zinc/62/46/06/599624606.db2.gz YVJJTIYAAPPLSZ-UHFFFAOYSA-N -2 3 377.470 2.341 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C1CCCCCCC1 ZINC000822222951 599624607 /nfs/dbraw/zinc/62/46/07/599624607.db2.gz YVJJTIYAAPPLSZ-UHFFFAOYSA-N -2 3 377.470 2.341 20 0 GEADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000545123062 599747138 /nfs/dbraw/zinc/74/71/38/599747138.db2.gz SYSRAMDRSGVOSZ-UHFFFAOYSA-N -3 3 379.390 2.211 20 0 GEADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000737210017 599747480 /nfs/dbraw/zinc/74/74/80/599747480.db2.gz GNWRISTYFHYFNU-UHFFFAOYSA-N -3 3 395.389 2.048 20 0 GEADHL Cc1nn(-c2ccccc2)cc1CCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000738901493 599769996 /nfs/dbraw/zinc/76/99/96/599769996.db2.gz RJDFTEVRUUADCH-UHFFFAOYSA-N -2 3 389.433 2.383 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2cc(F)cc(Br)c2)o1 ZINC000740176446 599773954 /nfs/dbraw/zinc/77/39/54/599773954.db2.gz DKOUALZLSPQKDE-UHFFFAOYSA-N -2 3 378.175 2.358 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)o1 ZINC000740175014 599774903 /nfs/dbraw/zinc/77/49/03/599774903.db2.gz BSRUZWOTLZYOEI-JTQLQIEISA-N -2 3 386.376 2.061 20 0 GEADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCOCC2)c(F)c1 ZINC000728016044 599801111 /nfs/dbraw/zinc/80/11/11/599801111.db2.gz HCCZZEIJZLJNME-UHFFFAOYSA-N -2 3 394.424 2.470 20 0 GEADHL CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000738202616 599810791 /nfs/dbraw/zinc/81/07/91/599810791.db2.gz JMXNKPBWRBOPST-OAHLLOKOSA-N -2 3 384.413 2.238 20 0 GEADHL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c1 ZINC000737654932 599853429 /nfs/dbraw/zinc/85/34/29/599853429.db2.gz XFYVHNQUDRMXGF-UHFFFAOYSA-N -2 3 389.307 2.390 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc(Br)cc2F)o1 ZINC000740176910 599869928 /nfs/dbraw/zinc/86/99/28/599869928.db2.gz ZBQMLVFBNTXNSK-UHFFFAOYSA-N -2 3 392.202 2.400 20 0 GEADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)OCc2cc(C(=O)[O-])co2)ccc1F ZINC000736476912 599881442 /nfs/dbraw/zinc/88/14/42/599881442.db2.gz AHRAESOOAIDRCS-UHFFFAOYSA-N -2 3 385.369 2.161 20 0 GEADHL COC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)ccc1F ZINC000737641953 600100980 /nfs/dbraw/zinc/10/09/80/600100980.db2.gz JOCDUTDGDDAIHG-UHFFFAOYSA-N -2 3 384.341 2.209 20 0 GEADHL CN1CCN(c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)cc2)CC1 ZINC000737528756 600103049 /nfs/dbraw/zinc/10/30/49/600103049.db2.gz DGPLMIPFGOEPTF-UHFFFAOYSA-N -2 3 393.440 2.077 20 0 GEADHL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-]c2ccc(N(C)C)cc2C)c1 ZINC000737684607 600105628 /nfs/dbraw/zinc/10/56/28/600105628.db2.gz WIXUDFJREJLVDW-UHFFFAOYSA-N -2 3 392.433 2.347 20 0 GEADHL COCC[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000735029310 600254483 /nfs/dbraw/zinc/25/44/83/600254483.db2.gz WLUJVBJMANXYLU-RUZDIDTESA-N -2 3 397.474 2.081 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(COC3CCOCC3)c2)o1 ZINC000645966197 600350302 /nfs/dbraw/zinc/35/03/02/600350302.db2.gz JAXNSZSVSBELET-UHFFFAOYSA-N -2 3 395.433 2.152 20 0 GEADHL Cc1noc(COc2ccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)cc2)n1 ZINC000510170026 600412094 /nfs/dbraw/zinc/41/20/94/600412094.db2.gz WOJULASQVNVRIH-UHFFFAOYSA-N -2 3 389.389 2.456 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)ccc1O ZINC000063180353 600481851 /nfs/dbraw/zinc/48/18/51/600481851.db2.gz VCODZFWSGYUGIH-UHFFFAOYSA-N -2 3 385.781 2.331 20 0 GEADHL O=C([O-])CCCOc1ccc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000739683300 600510557 /nfs/dbraw/zinc/51/05/57/600510557.db2.gz SYHDJJAWBNEUOF-UHFFFAOYSA-N -2 3 390.367 2.030 20 0 GEADHL COCCOCc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)c1 ZINC000614839051 600543314 /nfs/dbraw/zinc/54/33/14/600543314.db2.gz QONLWVZLPLBMAI-UHFFFAOYSA-N -2 3 395.433 2.357 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2cccc3c2CCN(C)C3)cc1C(=O)[O-] ZINC000738069552 600544611 /nfs/dbraw/zinc/54/46/11/600544611.db2.gz KKHJBMHMQPVWFM-UHFFFAOYSA-N -2 3 376.434 2.182 20 0 GEADHL C[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)c1 ZINC000738178625 600612489 /nfs/dbraw/zinc/61/24/89/600612489.db2.gz DAZITCCSOZLJEP-RUZDIDTESA-N -2 3 397.474 2.219 20 0 GEADHL CC(C)(C)[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C(=O)[O-] ZINC000675985609 600644236 /nfs/dbraw/zinc/64/42/36/600644236.db2.gz ROOOATOIYCJTJF-AWEZNQCLSA-N -2 3 397.428 2.184 20 0 GEADHL Cn1cc(S(=O)(=O)NN=c2[n-]cc(C(F)(F)F)cc2Cl)cc1C(=O)[O-] ZINC000833054416 600808722 /nfs/dbraw/zinc/80/87/22/600808722.db2.gz ZWOKVMWHNZCXIA-UHFFFAOYSA-N -2 3 398.750 2.096 20 0 GEADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(-n3nccn3)cc2)c1 ZINC000740075302 600890153 /nfs/dbraw/zinc/89/01/53/600890153.db2.gz IRPOGTTULOVLNX-UHFFFAOYSA-N -2 3 378.797 2.420 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2ccc(N3CCCC3)nc2)c1F ZINC000833293916 600993671 /nfs/dbraw/zinc/99/36/71/600993671.db2.gz HVCZOVQLEHBORI-UHFFFAOYSA-N -2 3 397.403 2.137 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)c(Cl)cc1Cl ZINC000760100333 601206345 /nfs/dbraw/zinc/20/63/45/601206345.db2.gz RDGIQXSLSUTKQM-NSHDSACASA-N -2 3 384.237 2.168 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@H](c2nccn2C)c2ccccc2F)cc1C(=O)[O-] ZINC000833028856 601215532 /nfs/dbraw/zinc/21/55/32/601215532.db2.gz QYXJWYZGSIMDFT-HNNXBMFYSA-N -2 3 393.396 2.227 20 0 GEADHL Cc1oc(S(=O)(=O)[N-]Cc2cccnc2OC2CCCC2)cc1C(=O)[O-] ZINC000833026720 601217153 /nfs/dbraw/zinc/21/71/53/601217153.db2.gz ITRLWYPXCFZBPB-UHFFFAOYSA-N -2 3 380.422 2.481 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)COc2ccc(F)cc2F)cc1C(=O)[O-] ZINC000577726724 601218205 /nfs/dbraw/zinc/21/82/05/601218205.db2.gz DKNOINCRMYBPEN-QMMMGPOBSA-N -2 3 375.349 2.310 20 0 GEADHL COc1cccc(N2CC[C@H](C[N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)o3)C2)c1 ZINC000832563388 601220208 /nfs/dbraw/zinc/22/02/08/601220208.db2.gz ZKWMYOAQHKPSET-CYBMUJFWSA-N -2 3 394.449 2.100 20 0 GEADHL Cc1nc(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)nc2ccccc12 ZINC000832999061 601233819 /nfs/dbraw/zinc/23/38/19/601233819.db2.gz APPWIEYUUFVNGV-UHFFFAOYSA-N -2 3 393.371 2.393 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)ccc1F ZINC000007055456 601317555 /nfs/dbraw/zinc/31/75/55/601317555.db2.gz MLQUIBXQWHYFSO-UHFFFAOYSA-N -2 3 380.397 2.161 20 0 GEADHL CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)c1 ZINC000042794282 601323977 /nfs/dbraw/zinc/32/39/77/601323977.db2.gz VBZDBUQNALAEJQ-UHFFFAOYSA-N -2 3 398.824 2.207 20 0 GEADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1CO ZINC000830084490 601327928 /nfs/dbraw/zinc/32/79/28/601327928.db2.gz HGRKLQCTBZTUMZ-YHYXMXQVSA-N -2 3 377.418 2.476 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(-c2nc(COc3cccc(C(=O)[O-])c3)no2)cc1 ZINC000832699390 601365441 /nfs/dbraw/zinc/36/54/41/601365441.db2.gz IRKVMJLFXUNAPE-UHFFFAOYSA-N -2 3 389.389 2.385 20 0 GEADHL COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000831079467 601388352 /nfs/dbraw/zinc/38/83/52/601388352.db2.gz VHOFGKFMAMAFKN-CQSZACIVSA-N -2 3 383.809 2.231 20 0 GEADHL COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@H](C(=O)[O-])C1CC1 ZINC000054505316 601389135 /nfs/dbraw/zinc/38/91/35/601389135.db2.gz HXIIIOZSYWVLKJ-JTQLQIEISA-N -2 3 398.662 2.253 20 0 GEADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c(F)c1 ZINC000751142598 601485907 /nfs/dbraw/zinc/48/59/07/601485907.db2.gz NHACVLBUXONJPV-UHFFFAOYSA-N -3 3 375.280 2.301 20 0 GEADHL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-]c2cc(OC)ccc2F)c1 ZINC000831370387 601492196 /nfs/dbraw/zinc/49/21/96/601492196.db2.gz MWYPLBOKJGMIPT-UHFFFAOYSA-N -2 3 383.353 2.120 20 0 GEADHL CC(C)[C@@H]([N-]S(=O)(=O)CC1(CC(=O)[O-])CC1)c1nc(-c2cccnc2)no1 ZINC000826716806 601512599 /nfs/dbraw/zinc/51/25/99/601512599.db2.gz JUIHDVNHVPNOHQ-CQSZACIVSA-N -2 3 394.453 2.003 20 0 GEADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)ccc1F ZINC000831029195 601624749 /nfs/dbraw/zinc/62/47/49/601624749.db2.gz KATRLTIPUSFWSK-UHFFFAOYSA-N -2 3 380.397 2.003 20 0 GEADHL COc1ccc(CNC(=O)CC2(CC(=O)[O-])CCCCC2)cc1-c1nnn[n-]1 ZINC000826196809 607527491 /nfs/dbraw/zinc/52/74/91/607527491.db2.gz OVVXTSNOJKHLNJ-UHFFFAOYSA-N -2 3 387.440 2.307 20 0 GEADHL COc1ccc(CNC(=O)CC2(CC(=O)[O-])CCCCC2)cc1-c1nn[n-]n1 ZINC000826196809 607527492 /nfs/dbraw/zinc/52/74/92/607527492.db2.gz OVVXTSNOJKHLNJ-UHFFFAOYSA-N -2 3 387.440 2.307 20 0 GEADHL C[C@H](C[C@@H](O)c1ccccc1)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000827403286 601883872 /nfs/dbraw/zinc/88/38/72/601883872.db2.gz ALCYOBQYXNJYIZ-ZWNOBZJWSA-N -2 3 385.388 2.454 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2ccn(Cc3ccccc3)n2)c1-c1nnn[n-]1 ZINC000826303910 607534328 /nfs/dbraw/zinc/53/43/28/607534328.db2.gz LXHORVKVXFHDJE-UHFFFAOYSA-N -2 3 395.448 2.221 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2ccn(Cc3ccccc3)n2)c1-c1nn[n-]n1 ZINC000826303910 607534330 /nfs/dbraw/zinc/53/43/30/607534330.db2.gz LXHORVKVXFHDJE-UHFFFAOYSA-N -2 3 395.448 2.221 20 0 GEADHL CCOC(=O)c1sc2[n-]c([C@H](C)N3CC[C@](C)(C(=O)[O-])C3)nc(=O)c2c1C ZINC000829901743 601948697 /nfs/dbraw/zinc/94/86/97/601948697.db2.gz QYXHKJNBULSXQJ-YPMLDQLKSA-N -2 3 393.465 2.327 20 0 GEADHL CC[C@@H](C)[C@H](NC(=O)[O-])C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000739238771 602133121 /nfs/dbraw/zinc/13/31/21/602133121.db2.gz QXEJEHPPKDTOIO-YGRLFVJLSA-N -2 3 387.458 2.078 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCc2cccs2)c(Br)o1 ZINC000055313054 602140735 /nfs/dbraw/zinc/14/07/35/602140735.db2.gz MORGHZKOWSAGBJ-UHFFFAOYSA-N -2 3 380.241 2.323 20 0 GEADHL Cc1nc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)cs1 ZINC000226224906 602142748 /nfs/dbraw/zinc/14/27/48/602142748.db2.gz ILDRLGPYFAZZTB-UHFFFAOYSA-N -2 3 395.256 2.026 20 0 GEADHL CC[C@H](NC(=O)[O-])C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000739532864 602522659 /nfs/dbraw/zinc/52/26/59/602522659.db2.gz QDTIOYGZIVJZLQ-QMMMGPOBSA-N -2 3 383.348 2.062 20 0 GEADHL CN(CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C(=O)[O-] ZINC000738000193 602658891 /nfs/dbraw/zinc/65/88/91/602658891.db2.gz XLPXNMVLMNHIID-UHFFFAOYSA-N -2 3 396.396 2.393 20 0 GEADHL Cc1cc(Br)c(S(=O)(=O)[N-]C2CCN(C(=O)[O-])CC2)s1 ZINC000829900310 603107069 /nfs/dbraw/zinc/10/70/69/603107069.db2.gz QBCXGIZEVIEWTA-UHFFFAOYSA-N -2 3 383.289 2.240 20 0 GEADHL CCN(CC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O)C(=O)[O-] ZINC000739392694 603431794 /nfs/dbraw/zinc/43/17/94/603431794.db2.gz QLHHHABHFRKJHV-UHFFFAOYSA-N -2 3 383.348 2.015 20 0 GEADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H]3[C@@H](C)OC(C)(C)N3C(=O)[O-])cc2)n1 ZINC000829893288 603695027 /nfs/dbraw/zinc/69/50/27/603695027.db2.gz FLOKLJQVNAKULP-ABAIWWIYSA-N -2 3 386.408 2.187 20 0 GEADHL O=C([O-])N[C@@H]1CCCCCC[C@H]1C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000832357637 603931758 /nfs/dbraw/zinc/93/17/58/603931758.db2.gz GXQPMDPHJJVXCE-VXGBXAGGSA-N -2 3 382.438 2.154 20 0 GEADHL C[C@H](CC(=O)Nc1ccccc1[N-]S(C)(=O)=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824702105 604298197 /nfs/dbraw/zinc/29/81/97/604298197.db2.gz AAMLGRUTUAVYKW-OLZOCXBDSA-N -2 3 383.470 2.413 20 0 GEADHL C[C@@H](NC(=O)[O-])[C@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CCO1 ZINC000825327799 604770796 /nfs/dbraw/zinc/77/07/96/604770796.db2.gz SEIUKULRCNGAMG-AUUYWEPGSA-N -2 3 384.432 2.480 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)cc1CC(=O)[O-] ZINC000833734641 605041685 /nfs/dbraw/zinc/04/16/85/605041685.db2.gz QRPQKDPFNONYQW-UHFFFAOYSA-N -3 3 379.390 2.130 20 0 GEADHL C[C@H]([N-]S(=O)(=O)c1ccccc1C(=O)[O-])c1noc(Cc2ccccc2)n1 ZINC000833523251 605044889 /nfs/dbraw/zinc/04/48/89/605044889.db2.gz KOHCFYAMBKAJTA-LBPRGKRZSA-N -2 3 387.417 2.398 20 0 GEADHL O=C([O-])N1CCCC[C@@H](NC(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000831714952 605178004 /nfs/dbraw/zinc/17/80/04/605178004.db2.gz JJBKTEJXLVNDPI-LLVKDONJSA-N -2 3 386.246 2.486 20 0 GEADHL CCc1nc(C2([N-]S(=O)(=O)c3ccc(C)cc3C(=O)[O-])CCCC2)no1 ZINC000572281303 605206909 /nfs/dbraw/zinc/20/69/09/605206909.db2.gz CTVSOXDARQJVNU-UHFFFAOYSA-N -2 3 379.438 2.386 20 0 GEADHL C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000825824395 605412668 /nfs/dbraw/zinc/41/26/68/605412668.db2.gz SBRUWHTXPSPXSY-MWLCHTKSSA-N -2 3 386.246 2.485 20 0 GEADHL O=C([O-])N1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000832007045 605499530 /nfs/dbraw/zinc/49/95/30/605499530.db2.gz WPPVELQOMLYIQJ-SECBINFHSA-N -2 3 381.223 2.009 20 0 GEADHL O=C([O-])Nc1ccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000833286889 605892275 /nfs/dbraw/zinc/89/22/75/605892275.db2.gz YPCUOUUXDTVGGA-UHFFFAOYSA-N -2 3 384.392 2.472 20 0 GEADHL O=C([O-])NC[C@H]1CCCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000834213144 605970518 /nfs/dbraw/zinc/97/05/18/605970518.db2.gz AQLFPZVNCACNEL-LLVKDONJSA-N -2 3 386.246 2.486 20 0 GEADHL O=C([O-])NCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cc1 ZINC000834245936 606081231 /nfs/dbraw/zinc/08/12/31/606081231.db2.gz RTDSDJCANGZOLY-UHFFFAOYSA-N -2 3 392.433 2.459 20 0 GEADHL CCOc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)n1 ZINC000821431779 606180807 /nfs/dbraw/zinc/18/08/07/606180807.db2.gz ZWYSPZVESLBRSR-UHFFFAOYSA-N -2 3 380.817 2.115 20 0 GEADHL Cc1nc(-c2ccc(S(=O)(=O)[N-]c3cc(-c4nn[n-]n4)ccc3O)cc2)co1 ZINC000822419746 606212456 /nfs/dbraw/zinc/21/24/56/606212456.db2.gz UAILJTPJHQAYMW-UHFFFAOYSA-N -2 3 398.404 2.337 20 0 GEADHL Cc1csc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000822414864 606356103 /nfs/dbraw/zinc/35/61/03/606356103.db2.gz XQQJEJDHPHXXFR-UHFFFAOYSA-N -2 3 390.372 2.451 20 0 GEADHL Cc1csc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000822414864 606356104 /nfs/dbraw/zinc/35/61/04/606356104.db2.gz XQQJEJDHPHXXFR-UHFFFAOYSA-N -2 3 390.372 2.451 20 0 GEADHL Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000822328488 606357852 /nfs/dbraw/zinc/35/78/52/606357852.db2.gz RCOKWUWBBFXPLW-UHFFFAOYSA-N -2 3 384.343 2.390 20 0 GEADHL Cc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000822328488 606357855 /nfs/dbraw/zinc/35/78/55/606357855.db2.gz RCOKWUWBBFXPLW-UHFFFAOYSA-N -2 3 384.343 2.390 20 0 GEADHL COc1ccc(-c2nc(S[C@H]3CCCOC3)[n-]c(=O)c2-c2nn[n-]n2)cc1 ZINC000821732659 606360665 /nfs/dbraw/zinc/36/06/65/606360665.db2.gz RQCIWVJEKQVHBL-LBPRGKRZSA-N -2 3 386.437 2.309 20 0 GEADHL CCCc1nnc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)s1 ZINC000821142661 606468645 /nfs/dbraw/zinc/46/86/45/606468645.db2.gz KPAFXARMHZCYJU-UHFFFAOYSA-N -2 3 385.862 2.125 20 0 GEADHL CCCc1nnc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)s1 ZINC000821142661 606468647 /nfs/dbraw/zinc/46/86/47/606468647.db2.gz KPAFXARMHZCYJU-UHFFFAOYSA-N -2 3 385.862 2.125 20 0 GEADHL CCCc1nnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000821143025 606468701 /nfs/dbraw/zinc/46/87/01/606468701.db2.gz OXDFPEAXHAILOE-UHFFFAOYSA-N -2 3 385.862 2.125 20 0 GEADHL CCCc1nnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000821143025 606468703 /nfs/dbraw/zinc/46/87/03/606468703.db2.gz OXDFPEAXHAILOE-UHFFFAOYSA-N -2 3 385.862 2.125 20 0 GEADHL CCCCc1nnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)s1 ZINC000821082416 606468855 /nfs/dbraw/zinc/46/88/55/606468855.db2.gz KFTZWTHCJSKBSV-UHFFFAOYSA-N -2 3 379.471 2.170 20 0 GEADHL CCCCc1nnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)s1 ZINC000821082416 606468857 /nfs/dbraw/zinc/46/88/57/606468857.db2.gz KFTZWTHCJSKBSV-UHFFFAOYSA-N -2 3 379.471 2.170 20 0 GEADHL CCCCc1nnc([N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)s1 ZINC000821082835 606468954 /nfs/dbraw/zinc/46/89/54/606468954.db2.gz PJUQLQPOCFNGPO-UHFFFAOYSA-N -2 3 379.471 2.170 20 0 GEADHL CCCCc1nnc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)s1 ZINC000821082835 606468955 /nfs/dbraw/zinc/46/89/55/606468955.db2.gz PJUQLQPOCFNGPO-UHFFFAOYSA-N -2 3 379.471 2.170 20 0 GEADHL CC(C)Cc1nnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000820108745 606606254 /nfs/dbraw/zinc/60/62/54/606606254.db2.gz QNKLNWZFZKJAAL-UHFFFAOYSA-N -2 3 399.889 2.371 20 0 GEADHL CC(C)Cc1nnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000820108745 606606256 /nfs/dbraw/zinc/60/62/56/606606256.db2.gz QNKLNWZFZKJAAL-UHFFFAOYSA-N -2 3 399.889 2.371 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nnn[n-]2)ccc1F ZINC000822211797 606607022 /nfs/dbraw/zinc/60/70/22/606607022.db2.gz OWNJYCVDTJVJNX-UHFFFAOYSA-N -2 3 379.421 2.067 20 0 GEADHL CCCCCC(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000821042404 606612752 /nfs/dbraw/zinc/61/27/52/606612752.db2.gz ANSMJJJFCFFJCK-UHFFFAOYSA-N -2 3 379.486 2.419 20 0 GEADHL CCCCCC(C)(C)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000821042404 606612754 /nfs/dbraw/zinc/61/27/54/606612754.db2.gz ANSMJJJFCFFJCK-UHFFFAOYSA-N -2 3 379.486 2.419 20 0 GEADHL C[C@H]1CCC(=CC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820678139 606627053 /nfs/dbraw/zinc/62/70/53/606627053.db2.gz SUZLPODQCDTBBO-CBFJXKFUSA-N -2 3 381.845 2.071 20 0 GEADHL C[C@H]1CCC(=CC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820678139 606627055 /nfs/dbraw/zinc/62/70/55/606627055.db2.gz SUZLPODQCDTBBO-CBFJXKFUSA-N -2 3 381.845 2.071 20 0 GEADHL O=S(=O)([N-]c1nnc(-c2ccccc2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000823588997 606636737 /nfs/dbraw/zinc/63/67/37/606636737.db2.gz HFHWWTRAVSFVAR-UHFFFAOYSA-N -2 3 385.434 2.186 20 0 GEADHL O=S(=O)([N-]c1nnc(-c2ccccc2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000823588997 606636738 /nfs/dbraw/zinc/63/67/38/606636738.db2.gz HFHWWTRAVSFVAR-UHFFFAOYSA-N -2 3 385.434 2.186 20 0 GEADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000821589210 606751419 /nfs/dbraw/zinc/75/14/19/606751419.db2.gz CLZPJAVMUQXPNX-UHFFFAOYSA-N -2 3 380.380 2.012 20 0 GEADHL CCOc1ccccc1[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821437199 606864030 /nfs/dbraw/zinc/86/40/30/606864030.db2.gz LHHLYMQBQYZSED-UHFFFAOYSA-N -2 3 381.364 2.344 20 0 GEADHL CCOc1ccccc1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821437199 606864031 /nfs/dbraw/zinc/86/40/31/606864031.db2.gz LHHLYMQBQYZSED-UHFFFAOYSA-N -2 3 381.364 2.344 20 0 GEADHL Cn1nc(C2CCCCC2)cc1[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822704956 606865272 /nfs/dbraw/zinc/86/52/72/606865272.db2.gz SQBZZEKHVQADOV-UHFFFAOYSA-N -2 3 387.469 2.449 20 0 GEADHL Cn1nc(C2CCCCC2)cc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822704956 606865274 /nfs/dbraw/zinc/86/52/74/606865274.db2.gz SQBZZEKHVQADOV-UHFFFAOYSA-N -2 3 387.469 2.449 20 0 GEADHL O=S(=O)([N-]c1cccc2ccncc21)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823589440 606867544 /nfs/dbraw/zinc/86/75/44/606867544.db2.gz ZKPMIURKNSWSRT-UHFFFAOYSA-N -2 3 388.359 2.494 20 0 GEADHL O=S(=O)([N-]c1cccc2ccncc21)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823589440 606867545 /nfs/dbraw/zinc/86/75/45/606867545.db2.gz ZKPMIURKNSWSRT-UHFFFAOYSA-N -2 3 388.359 2.494 20 0 GEADHL Cc1coc(-c2cc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)ccc2C)n1 ZINC000822403422 606872647 /nfs/dbraw/zinc/87/26/47/606872647.db2.gz NEPVOQWLJBMTBF-UHFFFAOYSA-N -2 3 397.420 2.334 20 0 GEADHL Cc1coc(-c2cc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)ccc2C)n1 ZINC000822403422 606872649 /nfs/dbraw/zinc/87/26/49/606872649.db2.gz NEPVOQWLJBMTBF-UHFFFAOYSA-N -2 3 397.420 2.334 20 0 GEADHL O=S(=O)([N-]CCc1ccc(Cl)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823578296 606883383 /nfs/dbraw/zinc/88/33/83/606883383.db2.gz LEWQTGSBQWCIAN-UHFFFAOYSA-N -2 3 399.810 2.319 20 0 GEADHL C[C@@H](C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000820276167 606884341 /nfs/dbraw/zinc/88/43/41/606884341.db2.gz TVJGQZPVKKWYMN-JTQLQIEISA-N -2 3 379.392 2.227 20 0 GEADHL O=S(=O)([N-][C@@H]1CC[C@H]2CCC[C@@H]2C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572778 606894879 /nfs/dbraw/zinc/89/48/79/606894879.db2.gz MCXSWSHJQWPWSG-CKYFFXLPSA-N -2 3 383.424 2.392 20 0 GEADHL Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)c2)n1 ZINC000822402770 606937650 /nfs/dbraw/zinc/93/76/50/606937650.db2.gz FUYFTBLYNYGZBQ-UHFFFAOYSA-N -2 3 383.393 2.026 20 0 GEADHL Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)c2)n1 ZINC000822402770 606937651 /nfs/dbraw/zinc/93/76/51/606937651.db2.gz FUYFTBLYNYGZBQ-UHFFFAOYSA-N -2 3 383.393 2.026 20 0 GEADHL CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)ccc2[nH]1 ZINC000819965659 606951312 /nfs/dbraw/zinc/95/13/12/606951312.db2.gz MAYCSOCLCYVDPN-UHFFFAOYSA-N -2 3 398.452 2.236 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CCCSC(C)(C)C ZINC000826279655 607836987 /nfs/dbraw/zinc/83/69/87/607836987.db2.gz XJJUKNPHAMKMJK-UHFFFAOYSA-N -2 3 397.526 2.292 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CCCSC(C)(C)C ZINC000826279655 607836988 /nfs/dbraw/zinc/83/69/88/607836988.db2.gz XJJUKNPHAMKMJK-UHFFFAOYSA-N -2 3 397.526 2.292 20 0 GEADHL CCc1c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cnn1CC(C)C ZINC000825694162 607933237 /nfs/dbraw/zinc/93/32/37/607933237.db2.gz MFPHRDKWANYRAB-UHFFFAOYSA-N -2 3 393.448 2.222 20 0 GEADHL CCc1c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cnn1CC(C)C ZINC000825694162 607933238 /nfs/dbraw/zinc/93/32/38/607933238.db2.gz MFPHRDKWANYRAB-UHFFFAOYSA-N -2 3 393.448 2.222 20 0 GEADHL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000826461409 607983078 /nfs/dbraw/zinc/98/30/78/607983078.db2.gz TYEZIOWGNOURTN-UHFFFAOYSA-N -3 3 387.421 2.075 20 0 GEADHL CS(=O)(=O)[N-]C(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826223399 608074616 /nfs/dbraw/zinc/07/46/16/608074616.db2.gz LHNLKNNDOODZJM-UHFFFAOYSA-N -2 3 393.812 2.002 20 0 GEADHL CS(=O)(=O)[N-]C(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826223399 608074617 /nfs/dbraw/zinc/07/46/17/608074617.db2.gz LHNLKNNDOODZJM-UHFFFAOYSA-N -2 3 393.812 2.002 20 0 GEADHL O=S(=O)([N-]c1cccc(O)c1)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826493004 608095402 /nfs/dbraw/zinc/09/54/02/608095402.db2.gz OLBXPUTUIBEHMW-UHFFFAOYSA-N -2 3 385.327 2.392 20 0 GEADHL O=S(=O)([N-]c1cccc(O)c1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826493004 608095403 /nfs/dbraw/zinc/09/54/03/608095403.db2.gz OLBXPUTUIBEHMW-UHFFFAOYSA-N -2 3 385.327 2.392 20 0 GEADHL COc1cc(OC)cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000826181371 608107509 /nfs/dbraw/zinc/10/75/09/608107509.db2.gz WKRPKSIZLLDGQU-UHFFFAOYSA-N -2 3 395.828 2.338 20 0 GEADHL CC[C@@H](C)CCCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825060739 608141207 /nfs/dbraw/zinc/14/12/07/608141207.db2.gz RWHOONUANJTHAK-CYBMUJFWSA-N -2 3 379.486 2.419 20 0 GEADHL CC[C@@H](C)CCCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825060739 608141208 /nfs/dbraw/zinc/14/12/08/608141208.db2.gz RWHOONUANJTHAK-CYBMUJFWSA-N -2 3 379.486 2.419 20 0 GEADHL CC[C@H](C)CCCCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825061087 608141571 /nfs/dbraw/zinc/14/15/71/608141571.db2.gz WIPARCPBDXBNFL-ZDUSSCGKSA-N -2 3 379.486 2.419 20 0 GEADHL CC[C@H](C)CCCCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825061087 608141572 /nfs/dbraw/zinc/14/15/72/608141572.db2.gz WIPARCPBDXBNFL-ZDUSSCGKSA-N -2 3 379.486 2.419 20 0 GEADHL Cc1[n-]n(-c2ccccc2Cl)c(=O)c1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824860907 608493616 /nfs/dbraw/zinc/49/36/16/608493616.db2.gz ZDSCDSJPCGODMC-OAHLLOKOSA-N -2 3 395.810 2.498 20 0 GEADHL Cc1[n-]n(-c2ccccc2Cl)c(=O)c1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824860907 608493618 /nfs/dbraw/zinc/49/36/18/608493618.db2.gz ZDSCDSJPCGODMC-OAHLLOKOSA-N -2 3 395.810 2.498 20 0 GEADHL Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824859866 608493688 /nfs/dbraw/zinc/49/36/88/608493688.db2.gz RJOSVECZRNUEFJ-OAHLLOKOSA-N -2 3 395.810 2.498 20 0 GEADHL Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824859866 608493689 /nfs/dbraw/zinc/49/36/89/608493689.db2.gz RJOSVECZRNUEFJ-OAHLLOKOSA-N -2 3 395.810 2.498 20 0 GEADHL CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1C ZINC000825081670 608581870 /nfs/dbraw/zinc/58/18/70/608581870.db2.gz LRUMISMKMKLKKK-VIFPVBQESA-N -2 3 379.421 2.283 20 0 GEADHL CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000825081670 608581872 /nfs/dbraw/zinc/58/18/72/608581872.db2.gz LRUMISMKMKLKKK-VIFPVBQESA-N -2 3 379.421 2.283 20 0 GEADHL CSc1[nH]c(=O)c(C(=O)Nc2ccc([O-])c(Cl)c2)cc1-c1nnn[n-]1 ZINC000826229738 609254194 /nfs/dbraw/zinc/25/41/94/609254194.db2.gz PMMKKBCOKSLYFW-UHFFFAOYSA-N -2 3 378.801 2.301 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)nn1[C@@H](C)C1CC1 ZINC000826255779 609469567 /nfs/dbraw/zinc/46/95/67/609469567.db2.gz KHTSOJGQCADBFR-LBPRGKRZSA-N -2 3 387.469 2.452 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)nn1[C@@H](C)C1CC1 ZINC000826255779 609469569 /nfs/dbraw/zinc/46/95/69/609469569.db2.gz KHTSOJGQCADBFR-LBPRGKRZSA-N -2 3 387.469 2.452 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccn1 ZINC000826280021 609522905 /nfs/dbraw/zinc/52/29/05/609522905.db2.gz LFKUOHSYQWOYDS-UHFFFAOYSA-N -2 3 384.343 2.390 20 0 GEADHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)ccc1F ZINC000826461829 609526924 /nfs/dbraw/zinc/52/69/24/609526924.db2.gz HQFMUINPKWASPP-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)ccc1F ZINC000826461829 609526925 /nfs/dbraw/zinc/52/69/25/609526925.db2.gz HQFMUINPKWASPP-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cccc1C(=O)[O-] ZINC000826242956 609528324 /nfs/dbraw/zinc/52/83/24/609528324.db2.gz NLKIPCLYBZINLA-UHFFFAOYSA-N -3 3 393.812 2.328 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cccc1C(=O)[O-] ZINC000826242956 609528325 /nfs/dbraw/zinc/52/83/25/609528325.db2.gz NLKIPCLYBZINLA-UHFFFAOYSA-N -3 3 393.812 2.328 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c(C(=O)[O-])c1 ZINC000826291429 609529058 /nfs/dbraw/zinc/52/90/58/609529058.db2.gz FOLURMMKGXADSI-UHFFFAOYSA-N -3 3 393.812 2.328 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c(C(=O)[O-])c1 ZINC000826291429 609529060 /nfs/dbraw/zinc/52/90/60/609529060.db2.gz FOLURMMKGXADSI-UHFFFAOYSA-N -3 3 393.812 2.328 20 0 GEADHL CC(C)OCCS(=O)(=O)[N-]c1cc(Br)c(F)cc1C(=O)[O-] ZINC000451077490 650084025 /nfs/dbraw/zinc/08/40/25/650084025.db2.gz KJSUECIFNLSESU-UHFFFAOYSA-N -2 3 384.223 2.453 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2cc(C(=O)[O-])co2)cc1Cl ZINC000525960633 650661632 /nfs/dbraw/zinc/66/16/32/650661632.db2.gz REAKAELQOQRNMB-UHFFFAOYSA-N -2 3 390.776 2.207 20 0 GEADHL COCc1ccccc1S(=O)(=O)[N-]c1cc(C)ccc1[N-]S(C)(=O)=O ZINC000484690969 650688915 /nfs/dbraw/zinc/68/89/15/650688915.db2.gz QIBJXVFACOYYPQ-UHFFFAOYSA-N -2 3 384.479 2.314 20 0 GEADHL O=C([O-])c1csc(C[N-]S(=O)(=O)c2ccc(F)cc2Br)n1 ZINC000097658132 643097663 /nfs/dbraw/zinc/09/76/63/643097663.db2.gz LHIZAAVSMVHVBI-UHFFFAOYSA-N -2 3 395.231 2.221 20 0 GEADHL Cc1noc(C)c1C[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000098024332 643099395 /nfs/dbraw/zinc/09/93/95/643099395.db2.gz JRRPRYURNCCDKK-UHFFFAOYSA-N -2 3 395.256 2.292 20 0 GEADHL C[C@]1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CCCS1 ZINC000124180601 643682462 /nfs/dbraw/zinc/68/24/62/643682462.db2.gz GBFWDSGMWSEJBA-LLVKDONJSA-N -2 3 384.273 2.304 20 0 GEADHL CSCC[C@H]([N-]S(=O)(=O)c1cc(C)c(Br)s1)C(=O)[O-] ZINC000126248049 643725406 /nfs/dbraw/zinc/72/54/06/643725406.db2.gz QZFXGAWYJIRJBO-ZETCQYMHSA-N -2 3 388.330 2.304 20 0 GEADHL CSCC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000130766683 643849820 /nfs/dbraw/zinc/84/98/20/643849820.db2.gz MWADEAUAMLYGTL-SECBINFHSA-N -2 3 386.264 2.073 20 0 GEADHL CSCC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000161790843 644219124 /nfs/dbraw/zinc/21/91/24/644219124.db2.gz MWADEAUAMLYGTL-VIFPVBQESA-N -2 3 386.264 2.073 20 0 GEADHL COc1cc(C)[n-]c(=N[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)n1 ZINC000176720367 644404905 /nfs/dbraw/zinc/40/49/05/644404905.db2.gz UGJHDVVITJLOFM-UHFFFAOYSA-N -2 3 380.323 2.257 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-][N-]C(=O)NCc2ccccc2)cc1Br ZINC000189125955 645133689 /nfs/dbraw/zinc/13/36/89/645133689.db2.gz CQQKTPPAKIAOAT-UHFFFAOYSA-N -2 3 398.282 2.450 20 0 GEADHL C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000547573067 651033505 /nfs/dbraw/zinc/03/35/05/651033505.db2.gz JOOHUPSSYAOFSG-ZWNOBZJWSA-N -2 3 377.260 2.156 20 0 GEADHL C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000547573065 651033660 /nfs/dbraw/zinc/03/36/60/651033660.db2.gz JOOHUPSSYAOFSG-GXFFZTMASA-N -2 3 377.260 2.156 20 0 GEADHL CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC)C(=O)[O-] ZINC000547609130 651038978 /nfs/dbraw/zinc/03/89/78/651038978.db2.gz OHBCNJDMBKJJEK-UWVGGRQHSA-N -2 3 393.483 2.101 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cc(C)cc(C)c2)s1 ZINC000547614886 651039449 /nfs/dbraw/zinc/03/94/49/651039449.db2.gz QFHFSRUNJWJIRY-CQSZACIVSA-N -2 3 383.447 2.256 20 0 GEADHL Cc1nc(CC[N-]S(=O)(=O)c2cccc(Cl)c2F)sc1C(=O)[O-] ZINC000547876787 651049764 /nfs/dbraw/zinc/04/97/64/651049764.db2.gz OGMVBDRUAUGJHF-UHFFFAOYSA-N -2 3 378.834 2.463 20 0 GEADHL O=C([O-])[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000547881647 651050756 /nfs/dbraw/zinc/05/07/56/651050756.db2.gz KGDVKJDQIPTFEF-KWQFWETISA-N -2 3 385.335 2.003 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2(C)CCCCC2)s1 ZINC000548029254 651061583 /nfs/dbraw/zinc/06/15/83/651061583.db2.gz IGZAUDLALVEORC-LBPRGKRZSA-N -2 3 375.468 2.237 20 0 GEADHL COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1cccs1 ZINC000319958044 647291083 /nfs/dbraw/zinc/29/10/83/647291083.db2.gz CWWTYCCYTAUZAE-VIFPVBQESA-N -2 3 375.449 2.091 20 0 GEADHL O=C([O-])[C@H](Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)c1cccnc1Cl ZINC000327176836 647306547 /nfs/dbraw/zinc/30/65/47/647306547.db2.gz BQJUGEOIGSLYQR-ZDUSSCGKSA-N -2 3 379.825 2.191 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@H]1CCOC1 ZINC000548200893 651067840 /nfs/dbraw/zinc/06/78/40/651067840.db2.gz VBUAQAGQHNYQAW-CPCISQLKSA-N -2 3 387.763 2.127 20 0 GEADHL CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000548238822 651071204 /nfs/dbraw/zinc/07/12/04/651071204.db2.gz QUGFEUIWXUMGPC-JTQLQIEISA-N -2 3 379.276 2.402 20 0 GEADHL CCC[C@H](O)[C@@H]([N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)C(=O)[O-] ZINC000548262317 651074212 /nfs/dbraw/zinc/07/42/12/651074212.db2.gz FMAQIUAWBPXRAD-WCQYABFASA-N -2 3 375.830 2.287 20 0 GEADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1ccc(Br)cn1)CC(=O)[O-] ZINC000548555218 651080076 /nfs/dbraw/zinc/08/00/76/651080076.db2.gz OLMXQAMCPLZQKA-JTQLQIEISA-N -2 3 379.276 2.259 20 0 GEADHL O=C([O-])COc1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000548562532 651080317 /nfs/dbraw/zinc/08/03/17/651080317.db2.gz WVSGGTCDJUGMAR-UHFFFAOYSA-N -2 3 387.816 2.464 20 0 GEADHL C[C@H]1CCC[C@]([N-]S(=O)(=O)c2ccc(Br)cn2)(C(=O)[O-])C1 ZINC000548771270 651085558 /nfs/dbraw/zinc/08/55/58/651085558.db2.gz YUIXOSFMDWCJGK-TVQRCGJNSA-N -2 3 377.260 2.156 20 0 GEADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C1(C(=O)[O-])CCCC1 ZINC000548837126 651087407 /nfs/dbraw/zinc/08/74/07/651087407.db2.gz KVEXVZKMZMNCBZ-UHFFFAOYSA-N -2 3 396.234 2.273 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC2CCCCC2)C(=O)[O-])s1 ZINC000548863333 651087940 /nfs/dbraw/zinc/08/79/40/651087940.db2.gz SMSOAQBCEPDSCW-LLVKDONJSA-N -2 3 375.468 2.237 20 0 GEADHL COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)(F)F)c1 ZINC000551910278 651135904 /nfs/dbraw/zinc/13/59/04/651135904.db2.gz OYPZYLDFKFCYGV-ZETCQYMHSA-N -2 3 375.752 2.280 20 0 GEADHL O=C([O-])[C@H](Cc1c[nH]cn1)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000551995817 651136874 /nfs/dbraw/zinc/13/68/74/651136874.db2.gz PSSZZKYIYKVGII-JTQLQIEISA-N -2 3 397.762 2.056 20 0 GEADHL C[C@@H](OC(C)(C)C)[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)[O-] ZINC000556416087 651243589 /nfs/dbraw/zinc/24/35/89/651243589.db2.gz KDSRTBUHPSMDCP-KCJUWKMLSA-N -2 3 384.376 2.036 20 0 GEADHL COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)(F)F ZINC000556777669 651252058 /nfs/dbraw/zinc/25/20/58/651252058.db2.gz WHRGUEOLPKXBCW-SSDOTTSWSA-N -2 3 375.752 2.280 20 0 GEADHL CC1(C)CC[C@@]([N-]S(=O)(=O)c2ccc(Br)cn2)(C(=O)[O-])C1 ZINC000556779463 651252224 /nfs/dbraw/zinc/25/22/24/651252224.db2.gz UOIMGQZLWSUZEB-ZDUSSCGKSA-N -2 3 377.260 2.156 20 0 GEADHL Cn1c2cc([O-])c(NC(=O)c3cccc(Br)c3[O-])cc2n(C)c1=O ZINC000643040931 651477079 /nfs/dbraw/zinc/47/70/79/651477079.db2.gz XTQMIIDZACBISM-UHFFFAOYSA-N -2 3 392.209 2.303 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@]2(C)C(=O)[O-])cc1Cl ZINC000562320101 651492250 /nfs/dbraw/zinc/49/22/50/651492250.db2.gz URDHIDRWULYTOY-ZFWWWQNUSA-N -2 3 392.836 2.359 20 0 GEADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000564386124 651563645 /nfs/dbraw/zinc/56/36/45/651563645.db2.gz ZIBGYWPJXMIMJQ-UHFFFAOYSA-N -2 3 378.472 2.213 20 0 GEADHL CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)n[nH]1 ZINC000608258230 651592831 /nfs/dbraw/zinc/59/28/31/651592831.db2.gz WRIZREKYBUYNHT-UHFFFAOYSA-N -2 3 390.462 2.019 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-]CCC(C)(C)CCC(=O)[O-])c(F)c1 ZINC000567647916 651632272 /nfs/dbraw/zinc/63/22/72/651632272.db2.gz GNTCCKPRAWDVRX-UHFFFAOYSA-N -2 3 375.418 2.172 20 0 GEADHL O=S(=O)(C[C@H]1CCCCO1)[N-]c1cc(I)ccc1[O-] ZINC000611291127 651718474 /nfs/dbraw/zinc/71/84/74/651718474.db2.gz VLJHQIGIIHAHFV-SNVBAGLBSA-N -2 3 397.234 2.308 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CCC(C)(C)C)C(=O)[O-])c(F)c1 ZINC000570431467 651767146 /nfs/dbraw/zinc/76/71/46/651767146.db2.gz NGNWKMKXIZIZRH-GFCCVEGCSA-N -2 3 375.418 2.170 20 0 GEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000570713733 651786057 /nfs/dbraw/zinc/78/60/57/651786057.db2.gz WMCRAARNCCKJNH-ZYHUDNBSSA-N -2 3 388.854 2.303 20 0 GEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c[n-]1 ZINC000618907100 652037734 /nfs/dbraw/zinc/03/77/34/652037734.db2.gz SCLRTGABNWKNHE-UHFFFAOYSA-N -2 3 379.316 2.286 20 0 GEADHL CO[C@@H](CS(=O)(=O)[N-]c1cc(Br)c(F)cc1C(=O)[O-])C1CC1 ZINC000576107286 652097508 /nfs/dbraw/zinc/09/75/08/652097508.db2.gz HOQFQNWCDBQTOL-LBPRGKRZSA-N -2 3 396.234 2.453 20 0 GEADHL COc1ccccc1C[C@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C(C)C ZINC000576396270 652113930 /nfs/dbraw/zinc/11/39/30/652113930.db2.gz CNSMNGCUSDNWPP-LBPRGKRZSA-N -2 3 384.479 2.396 20 0 GEADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000580322568 652375731 /nfs/dbraw/zinc/37/57/31/652375731.db2.gz VFNYSOVXVJSYBB-ZWNOBZJWSA-N -2 3 388.854 2.303 20 0 GEADHL C[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1nc(C(=O)[O-])cs1 ZINC000629308988 652488472 /nfs/dbraw/zinc/48/84/72/652488472.db2.gz PLDRILWSDOGHMJ-LURJTMIESA-N -2 3 381.357 2.295 20 0 GEADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]CCc2ccccn2)s1 ZINC000761235603 652637682 /nfs/dbraw/zinc/63/76/82/652637682.db2.gz UYDLRSQKXTYVTE-UHFFFAOYSA-N -2 3 391.268 2.125 20 0 GEADHL CC[C@H](CS(=O)(=O)[N-]c1cc(Br)cc(CC(=O)[O-])c1)OC ZINC000634797256 652667862 /nfs/dbraw/zinc/66/78/62/652667862.db2.gz XSDHKKBJDIXAMK-GFCCVEGCSA-N -2 3 380.260 2.243 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(F)nc2)cc1F ZINC000762473469 652693423 /nfs/dbraw/zinc/69/34/23/652693423.db2.gz LYUGQTCZPMKWQN-UHFFFAOYSA-N -2 3 391.421 2.312 20 0 GEADHL O=C([N-]c1nnc([N-]S(=O)(=O)c2ccccc2)s1)c1cccc(F)n1 ZINC000763916819 652778441 /nfs/dbraw/zinc/77/84/41/652778441.db2.gz CTBIWNJBZUECFU-UHFFFAOYSA-N -2 3 379.398 2.125 20 0 GEADHL 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ZINC000593943149 532504372 /nfs/dbraw/zinc/50/43/72/532504372.db2.gz CMHHEUGNJFORQY-OUAUKWLOSA-N -2 3 389.495 2.257 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1cccc(F)c1 ZINC000563927023 532512523 /nfs/dbraw/zinc/51/25/23/532512523.db2.gz BDHULSPFRCMSJX-GFCCVEGCSA-N -2 3 378.303 2.344 20 0 GEADHL Cc1nc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)sc1C(=O)[O-] ZINC000564843512 532534128 /nfs/dbraw/zinc/53/41/28/532534128.db2.gz YOFDKOWEMAYZQB-UHFFFAOYSA-N -2 3 381.357 2.042 20 0 GEADHL CCc1nc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)sc1C ZINC000433381202 532566255 /nfs/dbraw/zinc/56/62/55/532566255.db2.gz INCLRDPYLAVZGL-UHFFFAOYSA-N -2 3 393.487 2.325 20 0 GEADHL COc1cc(OC)c(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-])cc1Cl ZINC000654769860 532567458 /nfs/dbraw/zinc/56/74/58/532567458.db2.gz KSQXKBSWBHIOPU-SSDOTTSWSA-N -2 3 391.751 2.041 20 0 GEADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(Br)cc2c1OCC2)C(=O)[O-] ZINC000262437473 532595176 /nfs/dbraw/zinc/59/51/76/532595176.db2.gz PGZMAIUBPSKVJB-UFBFGSQYSA-N -2 3 392.271 2.162 20 0 GEADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(OC)ccc1Br ZINC000297211638 532573304 /nfs/dbraw/zinc/57/33/04/532573304.db2.gz NLWNAJZWOCYTPR-SECBINFHSA-N -2 3 380.260 2.379 20 0 GEADHL COc1ccc(Br)cc1S(=O)(=O)[N-]C1CCC(C(=O)[O-])CC1 ZINC000261982496 532579614 /nfs/dbraw/zinc/57/96/14/532579614.db2.gz RQNOMXINBXRHCB-UHFFFAOYSA-N -2 3 392.271 2.379 20 0 GEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000566558352 532615592 /nfs/dbraw/zinc/61/55/92/532615592.db2.gz AHQXGUIPHZQNDU-OWYVNGRQSA-N -2 3 389.857 2.139 20 0 GEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000566558350 532616422 /nfs/dbraw/zinc/61/64/22/532616422.db2.gz AHQXGUIPHZQNDU-FZQKWOKYSA-N -2 3 389.857 2.139 20 0 GEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000530154251 532618660 /nfs/dbraw/zinc/61/86/60/532618660.db2.gz RZFMHBTYPBRRHN-LWIGBJQBSA-N -2 3 377.846 2.137 20 0 GEADHL CCc1ncc(S(=O)(=O)[N-][C@@](C)(CC(=O)[O-])c2cccc(OC)c2)s1 ZINC000566183137 532599056 /nfs/dbraw/zinc/59/90/56/532599056.db2.gz OEGBOLDBEWUCIX-INIZCTEOSA-N -2 3 384.479 2.383 20 0 GEADHL COC[C@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)C(=O)[O-] ZINC000566184581 532599564 /nfs/dbraw/zinc/59/95/64/532599564.db2.gz NJFSLSJSFJSKLX-INIZCTEOSA-N -2 3 391.873 2.287 20 0 GEADHL Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)c1 ZINC000474311388 532611395 /nfs/dbraw/zinc/61/13/95/532611395.db2.gz YUTJGOXXMCKELA-UHFFFAOYSA-N -2 3 382.825 2.264 20 0 GEADHL CO[C@H](CS(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1[O-])[C@H]1CCOC1 ZINC000656629389 532628040 /nfs/dbraw/zinc/62/80/40/532628040.db2.gz UVCFMMVYUWSCIL-TVQRCGJNSA-N -2 3 385.360 2.084 20 0 GEADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CC(C)(C)OC1(C)C ZINC000567797028 532664057 /nfs/dbraw/zinc/66/40/57/532664057.db2.gz LISLPYAULRSAEY-GFCCVEGCSA-N -2 3 375.418 2.157 20 0 GEADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-][C@H]1CC(C)(C)OC1(C)C ZINC000567797032 532664559 /nfs/dbraw/zinc/66/45/59/532664559.db2.gz LISLPYAULRSAEY-LBPRGKRZSA-N -2 3 375.418 2.157 20 0 GEADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2ncsc2-c2ccccc2)s1 ZINC000438065478 532666416 /nfs/dbraw/zinc/66/64/16/532666416.db2.gz WXFOPOXOHMRAJW-UHFFFAOYSA-N -2 3 381.464 2.285 20 0 GEADHL COc1cc(F)c(Br)cc1S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)(C)C ZINC000567292662 532647477 /nfs/dbraw/zinc/64/74/77/532647477.db2.gz XDCDTKLQOBBXCH-LLVKDONJSA-N -2 3 398.250 2.374 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC000567470968 532655442 /nfs/dbraw/zinc/65/54/42/532655442.db2.gz VJHBVRPETSZMJM-VXGBXAGGSA-N -2 3 381.431 2.126 20 0 GEADHL CS(=O)(=O)c1cc([N-]S(=O)(=O)CCC2CCCC2)cc(C(=O)[O-])c1 ZINC000568480353 532678114 /nfs/dbraw/zinc/67/81/14/532678114.db2.gz CHIOJGQINZQCGT-UHFFFAOYSA-N -2 3 375.468 2.110 20 0 GEADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000484557181 532680958 /nfs/dbraw/zinc/68/09/58/532680958.db2.gz LBHWZHABYYCNRW-UHFFFAOYSA-N -2 3 390.776 2.181 20 0 GEADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000484555392 532681267 /nfs/dbraw/zinc/68/12/67/532681267.db2.gz JGWMCBCHBLMZSW-UHFFFAOYSA-N -2 3 386.813 2.351 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2c(C)cccc2O)cc1F ZINC000537394208 532706720 /nfs/dbraw/zinc/70/67/20/532706720.db2.gz KUFZTFZKCNSBKS-UHFFFAOYSA-N -2 3 388.442 2.402 20 0 GEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C1CCOCC1 ZINC000392506768 532708716 /nfs/dbraw/zinc/70/87/16/532708716.db2.gz XDFJCNASDRDVJG-VIFPVBQESA-N -2 3 377.846 2.140 20 0 GEADHL COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCC[C@H]1C(=O)[O-] ZINC000646045383 532721536 /nfs/dbraw/zinc/72/15/36/532721536.db2.gz REIFLVLYXJMEHL-OLZOCXBDSA-N -2 3 391.873 2.287 20 0 GEADHL O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)[N-]O[C@H]1CCCCO1 ZINC000299722782 532736877 /nfs/dbraw/zinc/73/68/77/532736877.db2.gz XPBSETJZADUFED-ZDUSSCGKSA-N -2 3 397.280 2.236 20 0 GEADHL Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)CSc2n[n-]c(=S)s2)c1 ZINC000267194522 532738201 /nfs/dbraw/zinc/73/82/01/532738201.db2.gz XEWNWIGIOYUEPD-UHFFFAOYSA-N -2 3 390.537 2.238 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc([O-])c(Br)c2)o1 ZINC000443513294 532747976 /nfs/dbraw/zinc/74/79/76/532747976.db2.gz VLBSTXMRPOVWTL-UHFFFAOYSA-N -2 3 390.211 2.013 20 0 GEADHL COc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2ncc(C(=O)[O-])s2)cc1OC ZINC000581370249 532755401 /nfs/dbraw/zinc/75/54/01/532755401.db2.gz OKVGMTIQRPTHKX-ZETCQYMHSA-N -2 3 390.414 2.037 20 0 GEADHL CS[C@@H](C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(C)(C)C ZINC000541309943 532751215 /nfs/dbraw/zinc/75/12/15/532751215.db2.gz RRSDUAMXPSKNKG-ZDUSSCGKSA-N -2 3 398.547 2.253 20 0 GEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cccc(Br)c2F)c[n-]1 ZINC000588945126 532773695 /nfs/dbraw/zinc/77/36/95/532773695.db2.gz WWRVUIDBEQQMCJ-UHFFFAOYSA-N -2 3 392.206 2.289 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cncc(Br)c2)ccc1[O-] ZINC000319388671 532785433 /nfs/dbraw/zinc/78/54/33/532785433.db2.gz BQNOVXRQFVBYKA-UHFFFAOYSA-N -2 3 387.211 2.137 20 0 GEADHL CCc1ccc([C@H]([N-]S(=O)(=O)c2csc(C(=O)OC)c2)C(=O)[O-])cc1 ZINC000548207883 532789242 /nfs/dbraw/zinc/78/92/42/532789242.db2.gz OIUDZIIFQDPORB-AWEZNQCLSA-N -2 3 383.447 2.201 20 0 GEADHL Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3c(Cl)cccc3C(=O)[O-])ccc21 ZINC000327664758 532792186 /nfs/dbraw/zinc/79/21/86/532792186.db2.gz IKFHMXDBOHAGDQ-UHFFFAOYSA-N -2 3 382.781 2.284 20 0 GEADHL CCCCc1cc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)[nH]n1 ZINC000269306514 532780043 /nfs/dbraw/zinc/78/00/43/532780043.db2.gz AQVJPMVGYBGJEN-UHFFFAOYSA-N -2 3 390.462 2.064 20 0 GEADHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1)c1csnn1 ZINC000414395851 532824502 /nfs/dbraw/zinc/82/45/02/532824502.db2.gz RKRQWYPNWHBVTQ-ZCFIWIBFSA-N -2 3 381.357 2.295 20 0 GEADHL C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Br)CCO1 ZINC000273691034 532831170 /nfs/dbraw/zinc/83/11/70/532831170.db2.gz MCJXHMAZVSKTAK-HTQZYQBOSA-N -2 3 396.234 2.132 20 0 GEADHL C[C@@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000273741123 532832887 /nfs/dbraw/zinc/83/28/87/532832887.db2.gz OQJGDJBSSHKHBI-PRHODGIISA-N -2 3 393.292 2.453 20 0 GEADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CC(C)(C)CC(=O)[O-] ZINC000274975190 532860568 /nfs/dbraw/zinc/86/05/68/532860568.db2.gz JDTDLHSJTJYCIN-UHFFFAOYSA-N -2 3 398.250 2.376 20 0 GEADHL O=C([O-])[C@@H](CC(F)F)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000275300212 532872118 /nfs/dbraw/zinc/87/21/18/532872118.db2.gz QITOIUSSPWATAJ-MRVPVSSYSA-N -2 3 392.605 2.489 20 0 GEADHL O=C([O-])c1ccc(Br)c([N-]S(=O)(=O)C[C@H]2CCCCO2)c1 ZINC000275347977 532873810 /nfs/dbraw/zinc/87/38/10/532873810.db2.gz VXHLKKCDBLZXRU-SNVBAGLBSA-N -2 3 378.244 2.458 20 0 GEADHL Cc1nc(CCC[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)sc1C(=O)[O-] ZINC000275382165 532874731 /nfs/dbraw/zinc/87/47/31/532874731.db2.gz ZQWZSFWEOKGROO-UHFFFAOYSA-N -2 3 394.396 2.478 20 0 GEADHL C[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)[N-]OC/C=C/Cl ZINC000291704180 532907603 /nfs/dbraw/zinc/90/76/03/532907603.db2.gz CNJJICUJTGHTBZ-IYNCYZAOSA-N -2 3 386.779 2.173 20 0 GEADHL CSCC[C@@H]([N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C(=O)[O-] ZINC000291831289 532909261 /nfs/dbraw/zinc/90/92/61/532909261.db2.gz GGCHTRWBGGTVIA-SSDOTTSWSA-N -2 3 391.364 2.209 20 0 GEADHL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]CC2CC(F)(F)C2)c1 ZINC000291853688 532909653 /nfs/dbraw/zinc/90/96/53/532909653.db2.gz FYZCJOFSZIJHFM-UHFFFAOYSA-N -2 3 384.198 2.471 20 0 GEADHL O=C([O-])[C@H](CC(F)F)[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000291894915 532910374 /nfs/dbraw/zinc/91/03/74/532910374.db2.gz PJFUCSZEBSULND-YFKPBYRVSA-N -2 3 381.250 2.111 20 0 GEADHL CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)o1 ZINC000292014282 532911877 /nfs/dbraw/zinc/91/18/77/532911877.db2.gz ZASWVPFHWFGNHS-UHFFFAOYSA-N -2 3 388.829 2.384 20 0 GEADHL O=S(=O)([N-]c1ccc(OC(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738341105 598842187 /nfs/dbraw/zinc/84/21/87/598842187.db2.gz FPQLHCQUAPXVIV-UHFFFAOYSA-N -2 3 385.327 2.408 20 0 GEADHL O=S(=O)([N-]c1ccc(OC(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738341105 598842188 /nfs/dbraw/zinc/84/21/88/598842188.db2.gz FPQLHCQUAPXVIV-UHFFFAOYSA-N -2 3 385.327 2.408 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1N(C)C ZINC000737279951 598909511 /nfs/dbraw/zinc/90/95/11/598909511.db2.gz HENGIMMGMYSWJR-UHFFFAOYSA-N -2 3 376.417 2.181 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1N(C)C ZINC000737279951 598909512 /nfs/dbraw/zinc/90/95/12/598909512.db2.gz HENGIMMGMYSWJR-UHFFFAOYSA-N -2 3 376.417 2.181 20 0 GEADHL Cc1ccccc1-n1nccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000737415380 598911681 /nfs/dbraw/zinc/91/16/81/598911681.db2.gz POTUMDSHWNMFSR-UHFFFAOYSA-N -2 3 399.411 2.301 20 0 GEADHL Cc1ccccc1-n1nccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000737415380 598911682 /nfs/dbraw/zinc/91/16/82/598911682.db2.gz POTUMDSHWNMFSR-UHFFFAOYSA-N -2 3 399.411 2.301 20 0 GEADHL C[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735987285 598924129 /nfs/dbraw/zinc/92/41/29/598924129.db2.gz XVRJTUKJXBXKFI-GFCCVEGCSA-N -2 3 377.470 2.029 20 0 GEADHL C[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735987285 598924131 /nfs/dbraw/zinc/92/41/31/598924131.db2.gz XVRJTUKJXBXKFI-GFCCVEGCSA-N -2 3 377.470 2.029 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cnn(Cc2ccccc2)c1 ZINC000737300600 598930259 /nfs/dbraw/zinc/93/02/59/598930259.db2.gz CVILUNHKHVTPHQ-UHFFFAOYSA-N -2 3 395.448 2.221 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cccnc1N1CCCCC1 ZINC000737224981 599029677 /nfs/dbraw/zinc/02/96/77/599029677.db2.gz JXEAKUPTLXQARR-UHFFFAOYSA-N -2 3 399.480 2.361 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2cc(Br)cc(-c3nn[n-]n3)c2)cn1 ZINC000822258870 607259071 /nfs/dbraw/zinc/25/90/71/607259071.db2.gz FVWLNOUBEJWCCI-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL COc1ccc(-c2nc(SCc3ccon3)[n-]c(=O)c2-c2nn[n-]n2)cc1 ZINC000737055178 599158743 /nfs/dbraw/zinc/15/87/43/599158743.db2.gz AETYJGJYQCIBKC-UHFFFAOYSA-N -2 3 383.393 2.318 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nnn[n-]3)c2)cs1 ZINC000821667823 599302303 /nfs/dbraw/zinc/30/23/03/599302303.db2.gz BWFCGCVDQRAZFS-UHFFFAOYSA-N -2 3 399.841 2.169 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nn[n-]n3)c2)cs1 ZINC000821667823 599302306 /nfs/dbraw/zinc/30/23/06/599302306.db2.gz BWFCGCVDQRAZFS-UHFFFAOYSA-N -2 3 399.841 2.169 20 0 GEADHL CC(=CC(=O)N=c1[n-]c(C)nn1-c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735446887 599200271 /nfs/dbraw/zinc/20/02/71/599200271.db2.gz HFTGZACWFWPYKW-SEYXRHQNSA-N -2 3 386.419 2.220 20 0 GEADHL CCn1nc(C)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1C ZINC000736731624 599235890 /nfs/dbraw/zinc/23/58/90/599235890.db2.gz PFWDWJXIEVVNDB-UHFFFAOYSA-N -2 3 381.849 2.154 20 0 GEADHL CCn1nc(C)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1C ZINC000736731624 599235893 /nfs/dbraw/zinc/23/58/93/599235893.db2.gz PFWDWJXIEVVNDB-UHFFFAOYSA-N -2 3 381.849 2.154 20 0 GEADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC(=O)[O-])c2)cc1 ZINC000485534646 597023632 /nfs/dbraw/zinc/02/36/32/597023632.db2.gz ZNQYRBHFRPOMAE-UHFFFAOYSA-N -2 3 392.433 2.009 20 0 GEADHL CC(C)[C@@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(=O)[O-] ZINC000820036563 597657284 /nfs/dbraw/zinc/65/72/84/597657284.db2.gz BQFVJDJMDLRUPU-PKOBYXMFSA-N -2 3 384.432 2.479 20 0 GEADHL O=C([O-])[C@@H]1CCCN1C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000821399976 597660860 /nfs/dbraw/zinc/66/08/60/597660860.db2.gz SYERDAGOCZFASQ-MSOLQXFVSA-N -2 3 382.416 2.329 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C=CC1CCCCC1 ZINC000737298479 599285567 /nfs/dbraw/zinc/28/55/67/599285567.db2.gz KSOKXDDNKHONCR-NTMALXAHSA-N -2 3 375.454 2.117 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C=CC1CCCCC1 ZINC000737298479 599285569 /nfs/dbraw/zinc/28/55/69/599285569.db2.gz KSOKXDDNKHONCR-NTMALXAHSA-N -2 3 375.454 2.117 20 0 GEADHL CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000824136638 607780012 /nfs/dbraw/zinc/78/00/12/607780012.db2.gz SOFCOVBVYRYLHL-UHFFFAOYSA-N -2 3 391.478 2.344 20 0 GEADHL CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000824136638 607780013 /nfs/dbraw/zinc/78/00/13/607780013.db2.gz SOFCOVBVYRYLHL-UHFFFAOYSA-N -2 3 391.478 2.344 20 0 GEADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(Cl)cc1 ZINC000738139761 598415099 /nfs/dbraw/zinc/41/50/99/598415099.db2.gz PBUNNUUQJICIDZ-UHFFFAOYSA-N -2 3 398.231 2.292 20 0 GEADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(Cl)cc1 ZINC000738139761 598415101 /nfs/dbraw/zinc/41/51/01/598415101.db2.gz PBUNNUUQJICIDZ-UHFFFAOYSA-N -2 3 398.231 2.292 20 0 GEADHL Cc1ccsc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737443334 598415497 /nfs/dbraw/zinc/41/54/97/598415497.db2.gz UDPALVMGLBQHEL-UHFFFAOYSA-N -2 3 383.842 2.009 20 0 GEADHL Cc1ccsc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737443334 598415498 /nfs/dbraw/zinc/41/54/98/598415498.db2.gz UDPALVMGLBQHEL-UHFFFAOYSA-N -2 3 383.842 2.009 20 0 GEADHL CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736503363 598416533 /nfs/dbraw/zinc/41/65/33/598416533.db2.gz JUSDQJLSXWSMOJ-UHFFFAOYSA-N -2 3 383.437 2.427 20 0 GEADHL CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736503363 598416534 /nfs/dbraw/zinc/41/65/34/598416534.db2.gz JUSDQJLSXWSMOJ-UHFFFAOYSA-N -2 3 383.437 2.427 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC(F)F)cc1 ZINC000737117530 598548569 /nfs/dbraw/zinc/54/85/69/598548569.db2.gz YHCJKHTYKYGKTC-UHFFFAOYSA-N -2 3 397.363 2.278 20 0 GEADHL C[C@H](NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820323611 599299129 /nfs/dbraw/zinc/29/91/29/599299129.db2.gz YMMJQIKSQHIGLR-RNODOKPDSA-N -2 3 379.420 2.477 20 0 GEADHL C[C@H](NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820323611 599299131 /nfs/dbraw/zinc/29/91/31/599299131.db2.gz YMMJQIKSQHIGLR-RNODOKPDSA-N -2 3 379.420 2.477 20 0 GEADHL O=S(=O)([N-]c1cc(C(F)(F)F)ccc1O)c1cccc(-c2nnn[n-]2)c1 ZINC000738346009 599314765 /nfs/dbraw/zinc/31/47/65/599314765.db2.gz VTRSWOVRCOABPL-UHFFFAOYSA-N -2 3 385.327 2.392 20 0 GEADHL O=S(=O)([N-]c1cc(C(F)(F)F)ccc1O)c1cccc(-c2nn[n-]n2)c1 ZINC000738346009 599314766 /nfs/dbraw/zinc/31/47/66/599314766.db2.gz VTRSWOVRCOABPL-UHFFFAOYSA-N -2 3 385.327 2.392 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000823285056 599620085 /nfs/dbraw/zinc/62/00/85/599620085.db2.gz MSFGMMUABDHWDP-CVEARBPZSA-N -2 3 389.481 2.029 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000823285056 599620086 /nfs/dbraw/zinc/62/00/86/599620086.db2.gz MSFGMMUABDHWDP-CVEARBPZSA-N -2 3 389.481 2.029 20 0 GEADHL C[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820690458 599622976 /nfs/dbraw/zinc/62/29/76/599622976.db2.gz MGTMFIVPWMHUCL-NXEZZACHSA-N -2 3 383.861 2.151 20 0 GEADHL C[C@@H]1CCC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820690458 599622977 /nfs/dbraw/zinc/62/29/77/599622977.db2.gz MGTMFIVPWMHUCL-NXEZZACHSA-N -2 3 383.861 2.151 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc(F)c(Br)c2)o1 ZINC000740176493 599773802 /nfs/dbraw/zinc/77/38/02/599773802.db2.gz IFOWTPQDXNXYMB-UHFFFAOYSA-N -2 3 392.202 2.400 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)CC(=O)[O-])c2)cc1 ZINC000485467077 599851685 /nfs/dbraw/zinc/85/16/85/599851685.db2.gz OTJRDJZXSYHFLM-UHFFFAOYSA-N -2 3 376.434 2.261 20 0 GEADHL COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000476728441 599924913 /nfs/dbraw/zinc/92/49/13/599924913.db2.gz ARCMZLRRFPGSNE-UHFFFAOYSA-N -2 3 393.417 2.436 20 0 GEADHL Cc1ccc(C(=O)NCCC(=O)OCc2ccc(F)cc2C(=O)[O-])c([O-])c1 ZINC000738515241 600116486 /nfs/dbraw/zinc/11/64/86/600116486.db2.gz SFLQALLSTVNRHW-UHFFFAOYSA-N -2 3 375.352 2.401 20 0 GEADHL CC[C@@]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C)(C(=O)OC)c1ccccc1 ZINC000736920384 600135685 /nfs/dbraw/zinc/13/56/85/600135685.db2.gz MOAPRBQUAHRWNP-IBGZPJMESA-N -2 3 391.445 2.450 20 0 GEADHL Cc1cccc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)c1C(=O)[O-] ZINC000738736873 600253866 /nfs/dbraw/zinc/25/38/66/600253866.db2.gz YGQQPUQKPOPNQG-UHFFFAOYSA-N -3 3 379.390 2.348 20 0 GEADHL CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)c1 ZINC000067124354 600544045 /nfs/dbraw/zinc/54/40/45/600544045.db2.gz FXLTUIAALHUBMI-UHFFFAOYSA-N -2 3 393.421 2.336 20 0 GEADHL COC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cc1 ZINC000057125529 600544071 /nfs/dbraw/zinc/54/40/71/600544071.db2.gz ZCGLCRWOXJJOSU-UHFFFAOYSA-N -2 3 394.405 2.397 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)cc1C(=O)[O-] ZINC000363016471 600544593 /nfs/dbraw/zinc/54/45/93/600544593.db2.gz XXJFCFBNKZGRNK-UHFFFAOYSA-N -2 3 390.417 2.469 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2)cc1C(=O)[O-] ZINC000524550499 600545072 /nfs/dbraw/zinc/54/50/72/600545072.db2.gz TUHHGCDLEOXNOE-XMMPIXPASA-N -2 3 383.447 2.073 20 0 GEADHL COc1ccc2c(c1)[n-]cc(C(=O)Nc1nnc(CCCC(=O)[O-])s1)c2=O ZINC000738075358 600603290 /nfs/dbraw/zinc/60/32/90/600603290.db2.gz YRUWQQWCNVNDRG-UHFFFAOYSA-N -2 3 388.405 2.048 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)cc1C(=O)N(C)C ZINC000548579613 600611964 /nfs/dbraw/zinc/61/19/64/600611964.db2.gz JDFPXAJBBYKAMR-UHFFFAOYSA-N -2 3 392.433 2.204 20 0 GEADHL COC(=O)c1cc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c(F)cc1F ZINC000481969169 600627183 /nfs/dbraw/zinc/62/71/83/600627183.db2.gz NLVUBQJZIDQVLJ-UHFFFAOYSA-N -2 3 385.344 2.179 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2cccnc2)c(F)cc1Br ZINC000740087771 600632342 /nfs/dbraw/zinc/63/23/42/600632342.db2.gz NUSDICGEACXDFE-UHFFFAOYSA-N -2 3 389.202 2.160 20 0 GEADHL Cc1ccc(C(=O)NCCC(=O)O[C@H](C(=O)[O-])c2ccccc2F)c([O-])c1 ZINC000832911618 600655791 /nfs/dbraw/zinc/65/57/91/600655791.db2.gz HSZVYGRFENPGGM-KRWDZBQOSA-N -2 3 375.352 2.329 20 0 GEADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)c2)n1 ZINC000363134654 600675796 /nfs/dbraw/zinc/67/57/96/600675796.db2.gz JXDYLRXRMYJUHX-UHFFFAOYSA-N -3 3 388.405 2.239 20 0 GEADHL O=C([O-])c1ccc(-c2nnn(Cc3nc4c5ccccc5oc4c(=O)[n-]3)n2)cc1 ZINC000740098573 600989548 /nfs/dbraw/zinc/98/95/48/600989548.db2.gz AZIDLRKPMMEHJV-UHFFFAOYSA-N -2 3 388.343 2.482 20 0 GEADHL CCOC(=O)c1sc2[n-]c([C@H](C)N3CCC[C@H](C(=O)[O-])C3)nc(=O)c2c1C ZINC000737157025 601029120 /nfs/dbraw/zinc/02/91/20/601029120.db2.gz QKEBQTJYHBXAFD-QWRGUYRKSA-N -2 3 393.465 2.327 20 0 GEADHL Cc1nccn1-c1ccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1F ZINC000833027842 601218604 /nfs/dbraw/zinc/21/86/04/601218604.db2.gz YRCITNVQHDLTJL-UHFFFAOYSA-N -2 3 393.396 2.398 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCCSC2)c(F)cc1Br ZINC000833303214 601218832 /nfs/dbraw/zinc/21/88/32/601218832.db2.gz MYIVKUBUVZLOJF-ZETCQYMHSA-N -2 3 398.275 2.460 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@H](Cn2cccn2)c2ccccc2)cc1C(=O)[O-] ZINC000833027044 601222674 /nfs/dbraw/zinc/22/26/74/601222674.db2.gz AHLIJLBDCMBZTI-OAHLLOKOSA-N -2 3 375.406 2.203 20 0 GEADHL COc1ccccc1OCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000832633752 601229542 /nfs/dbraw/zinc/22/95/42/601229542.db2.gz WTRUTNDBYUVOMF-UHFFFAOYSA-N -2 3 387.360 2.029 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C2CCN(c3ccccn3)CC2)c1F ZINC000833295199 601232013 /nfs/dbraw/zinc/23/20/13/601232013.db2.gz ONYUMFGZWMYUIL-UHFFFAOYSA-N -2 3 397.403 2.005 20 0 GEADHL Cc1cc(=O)n(C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000755257940 601234830 /nfs/dbraw/zinc/23/48/30/601234830.db2.gz OMVDRGJSMOYWAB-UHFFFAOYSA-N -2 3 391.232 2.500 20 0 GEADHL CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F ZINC000828810387 601268701 /nfs/dbraw/zinc/26/87/01/601268701.db2.gz JOFVMFBVTDKTEW-UHFFFAOYSA-N -2 3 379.381 2.063 20 0 GEADHL CS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC000023144919 601321064 /nfs/dbraw/zinc/32/10/64/601321064.db2.gz NNWPQNZFKRAWMV-RUDMXATFSA-N -2 3 399.421 2.128 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(Cl)cc2)oc1C ZINC000831343294 601388194 /nfs/dbraw/zinc/38/81/94/601388194.db2.gz KRBBLVLDCJQGFT-ZDUSSCGKSA-N -2 3 387.797 2.132 20 0 GEADHL C[C@@H]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1nc(Cc2ccccc2)no1 ZINC000827761070 601401090 /nfs/dbraw/zinc/40/10/90/601401090.db2.gz SPGLCMUFGGPFKH-GFCCVEGCSA-N -2 3 387.417 2.398 20 0 GEADHL C[C@@H]([N-]S(=O)(=O)c1csc(C(=O)[O-])c1)c1noc(Cc2ccccc2)n1 ZINC000827767756 601405785 /nfs/dbraw/zinc/40/57/85/601405785.db2.gz JZDHSVXSRLUCHT-SNVBAGLBSA-N -2 3 393.446 2.460 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@H](c2nnc3ccccn32)C(C)C)cc1C(=O)[O-] ZINC000833029184 601585364 /nfs/dbraw/zinc/58/53/64/601585364.db2.gz YXHRBRKEUNDQRK-AWEZNQCLSA-N -2 3 378.410 2.005 20 0 GEADHL COC(=O)c1sc2[n-]c(CN3CCC(CCC(=O)[O-])CC3)nc(=O)c2c1C ZINC000595882871 601844115 /nfs/dbraw/zinc/84/41/15/601844115.db2.gz RLAWWYYTQLIKFK-UHFFFAOYSA-N -2 3 393.465 2.156 20 0 GEADHL Cc1cc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000832892016 601858152 /nfs/dbraw/zinc/85/81/52/601858152.db2.gz RPRFXYIECNDXOJ-UHFFFAOYSA-N -2 3 394.424 2.470 20 0 GEADHL CSCC[C@H](NC(=O)[O-])C(=O)Nc1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000740011873 601910332 /nfs/dbraw/zinc/91/03/32/601910332.db2.gz UJBIFZRTDOVDOA-ZDUSSCGKSA-N -2 3 376.438 2.073 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)c1-c1nnn[n-]1 ZINC000826304119 607537012 /nfs/dbraw/zinc/53/70/12/607537012.db2.gz XAUGJGYTKJXYPB-UHFFFAOYSA-N -2 3 383.433 2.495 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)c1-c1nn[n-]n1 ZINC000826304119 607537014 /nfs/dbraw/zinc/53/70/14/607537014.db2.gz XAUGJGYTKJXYPB-UHFFFAOYSA-N -2 3 383.433 2.495 20 0 GEADHL Cc1nc(CC[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)sc1C ZINC000832999362 601999672 /nfs/dbraw/zinc/99/96/72/601999672.db2.gz ZITXAFLVGZIZPT-UHFFFAOYSA-N -2 3 376.406 2.257 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2ccn(CCC(C)C)n2)c1-c1nnn[n-]1 ZINC000826303814 607538122 /nfs/dbraw/zinc/53/81/22/607538122.db2.gz GUHPOYDNUCAQEJ-UHFFFAOYSA-N -2 3 375.458 2.219 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2ccn(CCC(C)C)n2)c1-c1nn[n-]n1 ZINC000826303814 607538124 /nfs/dbraw/zinc/53/81/24/607538124.db2.gz GUHPOYDNUCAQEJ-UHFFFAOYSA-N -2 3 375.458 2.219 20 0 GEADHL O=S(=O)([N-]c1ccc2c(cnn2C(F)F)c1)c1ccccc1-c1nn[n-]n1 ZINC000826493162 607538167 /nfs/dbraw/zinc/53/81/67/607538167.db2.gz WLCSIUIWYJYKNP-UHFFFAOYSA-N -2 3 391.363 2.412 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3F)c2)c1-c1nnn[n-]1 ZINC000826303788 607538310 /nfs/dbraw/zinc/53/83/10/607538310.db2.gz FLCZWSAISNACSE-UHFFFAOYSA-N -2 3 399.411 2.301 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3F)c2)c1-c1nn[n-]n1 ZINC000826303788 607538311 /nfs/dbraw/zinc/53/83/11/607538311.db2.gz FLCZWSAISNACSE-UHFFFAOYSA-N -2 3 399.411 2.301 20 0 GEADHL CC[C@H](C)[C@H](NC(=O)[O-])C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000739238767 602133047 /nfs/dbraw/zinc/13/30/47/602133047.db2.gz QXEJEHPPKDTOIO-HZMBPMFUSA-N -2 3 387.458 2.078 20 0 GEADHL COc1ccccc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000315772328 602140276 /nfs/dbraw/zinc/14/02/76/602140276.db2.gz VJTQYXLYFXJWDM-UHFFFAOYSA-N -2 3 390.211 2.227 20 0 GEADHL CCCC[C@@H](COC)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000829284353 602157154 /nfs/dbraw/zinc/15/71/54/602157154.db2.gz BFEXTPFXLAJXNZ-QMMMGPOBSA-N -2 3 384.248 2.224 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(=O)[O-])ccc1F ZINC000740717451 602246376 /nfs/dbraw/zinc/24/63/76/602246376.db2.gz UVIHWXRNUGZCIG-UHFFFAOYSA-N -3 3 380.353 2.365 20 0 GEADHL C[C@H](CCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824400149 607559117 /nfs/dbraw/zinc/55/91/17/607559117.db2.gz AXMBWLXLCVDURG-CYBMUJFWSA-N -2 3 385.449 2.256 20 0 GEADHL C[C@H](CCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824400149 607559118 /nfs/dbraw/zinc/55/91/18/607559118.db2.gz AXMBWLXLCVDURG-CYBMUJFWSA-N -2 3 385.449 2.256 20 0 GEADHL Cc1ccc(C(=O)NCCC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c([O-])c1 ZINC000832912112 602323841 /nfs/dbraw/zinc/32/38/41/602323841.db2.gz VDQQHTOAVLGEFZ-KUHUBIRLSA-N -2 3 384.432 2.399 20 0 GEADHL O=C([O-])N1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000740519547 602593941 /nfs/dbraw/zinc/59/39/41/602593941.db2.gz ILRZCOVBPRTIOD-VIFPVBQESA-N -2 3 381.223 2.009 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2cccc(OCCNC(=O)[O-])c2)c(C)c1 ZINC000739934284 602684616 /nfs/dbraw/zinc/68/46/16/602684616.db2.gz ZLTOWGKTLOWDEN-UHFFFAOYSA-N -2 3 380.422 2.451 20 0 GEADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CC[C@H](C)NC(=O)[O-] ZINC000739791454 602742259 /nfs/dbraw/zinc/74/22/59/602742259.db2.gz IPSAIXXKTPOICN-VIFPVBQESA-N -2 3 386.451 2.012 20 0 GEADHL O=C([O-])N1CCc2c(cccc2NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC000740464247 603247954 /nfs/dbraw/zinc/24/79/54/603247954.db2.gz DZKITOYHZQHSCH-UHFFFAOYSA-N -2 3 380.360 2.250 20 0 GEADHL Cc1nc(C)c(CCC(=O)N2CCC(N(CC3CC3)C(=O)[O-])CC2)c(=O)[n-]1 ZINC000830716729 603467698 /nfs/dbraw/zinc/46/76/98/603467698.db2.gz XCMMXHWBLPRNCU-UHFFFAOYSA-N -2 3 376.457 2.113 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]C2CCN(C(=O)[O-])CC2)sc1Br ZINC000830133419 603504167 /nfs/dbraw/zinc/50/41/67/603504167.db2.gz UFUZZSMBHAOVEO-UHFFFAOYSA-N -2 3 383.289 2.240 20 0 GEADHL CC(C)[C@@H](CCN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])NC(=O)[O-] ZINC000824078196 603606983 /nfs/dbraw/zinc/60/69/83/603606983.db2.gz IJAHAGBMFKHFGW-CVEARBPZSA-N -2 3 391.468 2.138 20 0 GEADHL O=C([O-])NC[C@H]1CCC[C@H]1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000832476720 604279288 /nfs/dbraw/zinc/27/92/88/604279288.db2.gz YCBXYLFBPKXLHJ-ZYHUDNBSSA-N -2 3 386.246 2.390 20 0 GEADHL C[C@H](CC(=O)Nc1ccccc1[N-]S(C)(=O)=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824702104 604298193 /nfs/dbraw/zinc/29/81/93/604298193.db2.gz AAMLGRUTUAVYKW-CHWSQXEVSA-N -2 3 383.470 2.413 20 0 GEADHL Cn1cc(S(=O)(=O)[N-]Cc2c3ccccc3sc2C(=O)[O-])nc1Cl ZINC000833054343 604408031 /nfs/dbraw/zinc/40/80/31/604408031.db2.gz VYROTWOPXKSTMF-UHFFFAOYSA-N -2 3 385.854 2.465 20 0 GEADHL CC1(C)Cc2ccc(C(=O)Nc3ccc(C(=O)NCC(=O)[O-])cc3)c([O-])c2O1 ZINC000833562237 604689899 /nfs/dbraw/zinc/68/98/99/604689899.db2.gz ORDCOWAKNJIBRJ-UHFFFAOYSA-N -2 3 384.388 2.172 20 0 GEADHL CN1CC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)[C@@H]1c1ccccc1 ZINC000833697937 604706814 /nfs/dbraw/zinc/70/68/14/604706814.db2.gz JXEIERJXOJIWAN-DYVFJYSZSA-N -2 3 396.415 2.387 20 0 GEADHL Cc1cc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC000833745875 604745907 /nfs/dbraw/zinc/74/59/07/604745907.db2.gz GAXKKPFZFCZTJD-UHFFFAOYSA-N -2 3 394.424 2.470 20 0 GEADHL O=C([O-])C[C@@H]1CCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000833212369 604752977 /nfs/dbraw/zinc/75/29/77/604752977.db2.gz WIDLOBAJHVAGLV-JTQLQIEISA-N -2 3 379.210 2.370 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c(Br)n1 ZINC000832950121 604798267 /nfs/dbraw/zinc/79/82/67/604798267.db2.gz BOCOHQTVMBVMJO-UHFFFAOYSA-N -2 3 378.229 2.108 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCOC3(CCSCC3)C2)cc1C(=O)[O-] ZINC000833028945 604814166 /nfs/dbraw/zinc/81/41/66/604814166.db2.gz UVWLFNWQMXVWBB-LLVKDONJSA-N -2 3 375.468 2.009 20 0 GEADHL CN1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)[C@@H]1c1ccc(Cl)cc1 ZINC000833697147 604909611 /nfs/dbraw/zinc/90/96/11/604909611.db2.gz DAPGKPLMZBNRHF-ZFWWWQNUSA-N -2 3 384.841 2.355 20 0 GEADHL CC(C)(C)OC(=O)C1([N-]S(=O)(=O)Cc2ccccc2C(=O)[O-])CCCC1 ZINC000829148448 605029286 /nfs/dbraw/zinc/02/92/86/605029286.db2.gz IFEZEMVTXZIDEL-UHFFFAOYSA-N -2 3 383.466 2.459 20 0 GEADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000547940251 605042772 /nfs/dbraw/zinc/04/27/72/605042772.db2.gz IWFDUHXNUFTWNI-BDJLRTHQSA-N -2 3 395.408 2.353 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)C2CCC(C(=O)[O-])CC2)cc1OC ZINC000262717473 605103617 /nfs/dbraw/zinc/10/36/17/605103617.db2.gz OAKKIINHHMBUCO-UHFFFAOYSA-N -2 3 384.454 2.286 20 0 GEADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)cc1CO ZINC000833663141 605124597 /nfs/dbraw/zinc/12/45/97/605124597.db2.gz QEYZRBAWUIHMTK-UHFFFAOYSA-N -2 3 391.445 2.495 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCOCC2)c(F)cc1Br ZINC000833780641 605146460 /nfs/dbraw/zinc/14/64/60/605146460.db2.gz ZCWUGXQSUQDTGI-MRVPVSSYSA-N -2 3 396.234 2.134 20 0 GEADHL CC(C)(C)OC(=O)NCC1([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CCCC1 ZINC000833440850 605201741 /nfs/dbraw/zinc/20/17/41/605201741.db2.gz AZGJULJZRSLYGU-UHFFFAOYSA-N -2 3 388.442 2.094 20 0 GEADHL O=C([O-])Nc1ccc(C(=O)N2CCC(CCCN3CCOCC3)CC2)c([O-])c1 ZINC000834258280 605818208 /nfs/dbraw/zinc/81/82/08/605818208.db2.gz NZYKONRSFFGJBK-UHFFFAOYSA-N -2 3 391.468 2.447 20 0 GEADHL O=S(=O)([N-]c1ccc(OCC(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823588925 606331922 /nfs/dbraw/zinc/33/19/22/606331922.db2.gz FQZZEZXHOQWLQV-UHFFFAOYSA-N -2 3 399.354 2.451 20 0 GEADHL O=S(=O)([N-]c1ccc(OCC(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823588925 606331925 /nfs/dbraw/zinc/33/19/25/606331925.db2.gz FQZZEZXHOQWLQV-UHFFFAOYSA-N -2 3 399.354 2.451 20 0 GEADHL O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000823488527 606592176 /nfs/dbraw/zinc/59/21/76/606592176.db2.gz PFAZIIZQRLSTHQ-UHFFFAOYSA-N -2 3 383.433 2.369 20 0 GEADHL O=S(=O)([N-]c1cc(Br)ccc1O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823583153 606622451 /nfs/dbraw/zinc/62/24/51/606622451.db2.gz JCGCZJRKWDASTD-UHFFFAOYSA-N -2 3 396.226 2.136 20 0 GEADHL O=S(=O)([N-]c1cc(Br)ccc1O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823583153 606622453 /nfs/dbraw/zinc/62/24/53/606622453.db2.gz JCGCZJRKWDASTD-UHFFFAOYSA-N -2 3 396.226 2.136 20 0 GEADHL O=C([N-]c1nnc(C(F)(F)F)s1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823383752 606669763 /nfs/dbraw/zinc/66/97/63/606669763.db2.gz ZBKMAPSZWVGCLM-UHFFFAOYSA-N -2 3 377.258 2.268 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nnn[n-]2)c(F)cc1F ZINC000822211846 606709654 /nfs/dbraw/zinc/70/96/54/606709654.db2.gz QDEVFRSMAHZBPZ-UHFFFAOYSA-N -2 3 397.411 2.206 20 0 GEADHL O=S(=O)([N-]c1ccccc1OCC(F)F)c1ccc(-c2nnn[n-]2)cc1F ZINC000823589208 606789041 /nfs/dbraw/zinc/78/90/41/606789041.db2.gz STEAYFCRYNQKBE-UHFFFAOYSA-N -2 3 399.354 2.451 20 0 GEADHL O=S(=O)([N-]c1ccccc1OCC(F)F)c1ccc(-c2nn[n-]n2)cc1F ZINC000823589208 606789043 /nfs/dbraw/zinc/78/90/43/606789043.db2.gz STEAYFCRYNQKBE-UHFFFAOYSA-N -2 3 399.354 2.451 20 0 GEADHL O=S(=O)([N-]c1cnc2ccccc2n1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823589023 606862107 /nfs/dbraw/zinc/86/21/07/606862107.db2.gz IRESWJHAVUATCX-UHFFFAOYSA-N -2 3 387.812 2.264 20 0 GEADHL O=S(=O)([N-]c1cnc2ccccc2n1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000823589023 606862108 /nfs/dbraw/zinc/86/21/08/606862108.db2.gz IRESWJHAVUATCX-UHFFFAOYSA-N -2 3 387.812 2.264 20 0 GEADHL CCn1nc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1C1CC1 ZINC000821568451 606866325 /nfs/dbraw/zinc/86/63/25/606866325.db2.gz UZUIYRZMKONHQA-UHFFFAOYSA-N -2 3 395.395 2.040 20 0 GEADHL CCn1nc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1C1CC1 ZINC000821568451 606866326 /nfs/dbraw/zinc/86/63/26/606866326.db2.gz UZUIYRZMKONHQA-UHFFFAOYSA-N -2 3 395.395 2.040 20 0 GEADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1(Cc2ccccc2)CCC1 ZINC000823284793 606887345 /nfs/dbraw/zinc/88/73/45/606887345.db2.gz JZQANTOIIIXSQJ-UHFFFAOYSA-N -2 3 397.460 2.085 20 0 GEADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1(Cc2ccccc2)CCC1 ZINC000823284793 606887346 /nfs/dbraw/zinc/88/73/46/606887346.db2.gz JZQANTOIIIXSQJ-UHFFFAOYSA-N -2 3 397.460 2.085 20 0 GEADHL CS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000821949930 606892488 /nfs/dbraw/zinc/89/24/88/606892488.db2.gz JWHGZASNBIZRHR-ZJUUUORDSA-N -2 3 389.453 2.097 20 0 GEADHL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ncc(-c4nnn[n-]4)s3)cc(Cl)c2O1 ZINC000820814962 607025354 /nfs/dbraw/zinc/02/53/54/607025354.db2.gz ZRLXJTBZKWDSAA-ZCFIWIBFSA-N -2 3 398.857 2.101 20 0 GEADHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ncc(-c4nnn[n-]4)s3)cc(Cl)c2O1 ZINC000820814955 607025368 /nfs/dbraw/zinc/02/53/68/607025368.db2.gz ZRLXJTBZKWDSAA-LURJTMIESA-N -2 3 398.857 2.101 20 0 GEADHL Cc1ccn(-c2ccccc2[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000822370202 607034927 /nfs/dbraw/zinc/03/49/27/607034927.db2.gz SWJPZWJQTCFFIO-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL Cc1nc(SCC(=O)NC(C)(C)CCC(=O)[O-])c(-c2nnn[n-]2)c(C)c1C ZINC000822454052 607105139 /nfs/dbraw/zinc/10/51/39/607105139.db2.gz RYFAWXACXIMVJD-UHFFFAOYSA-N -2 3 392.485 2.039 20 0 GEADHL Cc1nc(SCC(=O)NC(C)(C)CCC(=O)[O-])c(-c2nn[n-]n2)c(C)c1C ZINC000822454052 607105140 /nfs/dbraw/zinc/10/51/40/607105140.db2.gz RYFAWXACXIMVJD-UHFFFAOYSA-N -2 3 392.485 2.039 20 0 GEADHL CC1(C)CCC(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000820589421 607184602 /nfs/dbraw/zinc/18/46/02/607184602.db2.gz FEVHQDWNPONQOT-UHFFFAOYSA-N -2 3 377.470 2.029 20 0 GEADHL CC1(C)CCC(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000820589421 607184603 /nfs/dbraw/zinc/18/46/03/607184603.db2.gz FEVHQDWNPONQOT-UHFFFAOYSA-N -2 3 377.470 2.029 20 0 GEADHL CCc1nc(-c2ccccc2[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n[nH]1 ZINC000825740579 607879808 /nfs/dbraw/zinc/87/98/08/607879808.db2.gz VKRLKIBZNIVGLY-UHFFFAOYSA-N -2 3 396.436 2.015 20 0 GEADHL CC1(C)CCC[C@H](CC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824801399 607923230 /nfs/dbraw/zinc/92/32/30/607923230.db2.gz FDXWMNXXJGLIBB-CYBMUJFWSA-N -2 3 391.497 2.419 20 0 GEADHL CC1(C)CCC[C@H](CC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824801399 607923231 /nfs/dbraw/zinc/92/32/31/607923231.db2.gz FDXWMNXXJGLIBB-CYBMUJFWSA-N -2 3 391.497 2.419 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1 ZINC000826256190 608054266 /nfs/dbraw/zinc/05/42/66/608054266.db2.gz XZEUULQHHJYGQC-UHFFFAOYSA-N -2 3 384.343 2.390 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)c1-c1nnn[n-]1 ZINC000826304010 608054280 /nfs/dbraw/zinc/05/42/80/608054280.db2.gz QXVSPKYMRNCCQF-UHFFFAOYSA-N -2 3 384.343 2.390 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)c1-c1nn[n-]n1 ZINC000826304010 608054281 /nfs/dbraw/zinc/05/42/81/608054281.db2.gz QXVSPKYMRNCCQF-UHFFFAOYSA-N -2 3 384.343 2.390 20 0 GEADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1c[nH]nc1-c1ccccc1 ZINC000826255872 608057490 /nfs/dbraw/zinc/05/74/90/608057490.db2.gz MZYYAZJTWBCSNG-UHFFFAOYSA-N -2 3 381.421 2.366 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1c[nH]nc1-c1ccccc1 ZINC000826255872 608057491 /nfs/dbraw/zinc/05/74/91/608057491.db2.gz MZYYAZJTWBCSNG-UHFFFAOYSA-N -2 3 381.421 2.366 20 0 GEADHL CCC(CC)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825096654 608075597 /nfs/dbraw/zinc/07/55/97/608075597.db2.gz PGPBFFVDUVFOAK-VIFPVBQESA-N -2 3 385.877 2.397 20 0 GEADHL CCC(CC)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825096654 608075598 /nfs/dbraw/zinc/07/55/98/608075598.db2.gz PGPBFFVDUVFOAK-VIFPVBQESA-N -2 3 385.877 2.397 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)[C@H](c1ccccc1)C1CC1 ZINC000826450071 608247653 /nfs/dbraw/zinc/24/76/53/608247653.db2.gz WAOMQACDRPXYAS-QGZVFWFLSA-N -2 3 397.460 2.007 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)[C@H](c1ccccc1)C1CC1 ZINC000826450071 608247655 /nfs/dbraw/zinc/24/76/55/608247655.db2.gz WAOMQACDRPXYAS-QGZVFWFLSA-N -2 3 397.460 2.007 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)[C@@H](c1ccccc1)C1CC1 ZINC000826450070 608247935 /nfs/dbraw/zinc/24/79/35/608247935.db2.gz WAOMQACDRPXYAS-KRWDZBQOSA-N -2 3 397.460 2.007 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)[C@@H](c1ccccc1)C1CC1 ZINC000826450070 608247937 /nfs/dbraw/zinc/24/79/37/608247937.db2.gz WAOMQACDRPXYAS-KRWDZBQOSA-N -2 3 397.460 2.007 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H](c1ccccc1)C1CC1 ZINC000826279362 608249289 /nfs/dbraw/zinc/24/92/89/608249289.db2.gz OEDITSOEQOZMSX-KRWDZBQOSA-N -2 3 397.460 2.174 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H](c1ccccc1)C1CC1 ZINC000826279362 608249291 /nfs/dbraw/zinc/24/92/91/608249291.db2.gz OEDITSOEQOZMSX-KRWDZBQOSA-N -2 3 397.460 2.174 20 0 GEADHL Cc1cc(F)ccc1N(Cc1n[nH]c(=O)[n-]1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826268662 608406741 /nfs/dbraw/zinc/40/67/41/608406741.db2.gz IBEIEBWRWXLHNC-UHFFFAOYSA-N -2 3 380.387 2.345 20 0 GEADHL Cc1cc(F)ccc1N(Cc1n[nH]c(=O)[n-]1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826268662 608406742 /nfs/dbraw/zinc/40/67/42/608406742.db2.gz IBEIEBWRWXLHNC-UHFFFAOYSA-N -2 3 380.387 2.345 20 0 GEADHL Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000826298507 608456449 /nfs/dbraw/zinc/45/64/49/608456449.db2.gz WHRJJUHHZVSSQI-UHFFFAOYSA-N -2 3 383.842 2.009 20 0 GEADHL Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000826298507 608456450 /nfs/dbraw/zinc/45/64/50/608456450.db2.gz WHRJJUHHZVSSQI-UHFFFAOYSA-N -2 3 383.842 2.009 20 0 GEADHL Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824859863 608493907 /nfs/dbraw/zinc/49/39/07/608493907.db2.gz RHVMRWAPYISKIC-QGZVFWFLSA-N -2 3 389.419 2.461 20 0 GEADHL Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824859863 608493908 /nfs/dbraw/zinc/49/39/08/608493908.db2.gz RHVMRWAPYISKIC-QGZVFWFLSA-N -2 3 389.419 2.461 20 0 GEADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC(C)(C)C1 ZINC000824865053 609138708 /nfs/dbraw/zinc/13/87/08/609138708.db2.gz GWORSGDRTVTKLA-DGCLKSJQSA-N -2 3 377.470 2.134 20 0 GEADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC(C)(C)C1 ZINC000824865053 609138709 /nfs/dbraw/zinc/13/87/09/609138709.db2.gz GWORSGDRTVTKLA-DGCLKSJQSA-N -2 3 377.470 2.134 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2ccn(-c3cccc(F)c3-c3nnn[n-]3)n2)c1 ZINC000826304113 609274045 /nfs/dbraw/zinc/27/40/45/609274045.db2.gz WVURWTPUIOEPOG-UHFFFAOYSA-N -2 3 399.411 2.301 20 0 GEADHL COc1ccc([N-]S(=O)(=O)c2cc(C)cc(F)c2)cc1[N-]S(C)(=O)=O ZINC000476259454 650547574 /nfs/dbraw/zinc/54/75/74/650547574.db2.gz LZSQZYFXHYMSOE-UHFFFAOYSA-N -2 3 388.442 2.315 20 0 GEADHL CCc1nc(C)c([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)s1 ZINC000481882944 650655639 /nfs/dbraw/zinc/65/56/39/650655639.db2.gz MZXOCPVWPLJQMA-UHFFFAOYSA-N -2 3 393.487 2.325 20 0 GEADHL CCC[C@@H](NC(=O)c1c([O-])cnc2c(Br)cccc21)c1nnn[n-]1 ZINC000486784106 650721667 /nfs/dbraw/zinc/72/16/67/650721667.db2.gz WLQCTJBNSRDBTJ-SNVBAGLBSA-N -2 3 391.229 2.487 20 0 GEADHL CCC[C@@H](NC(=O)c1c([O-])cnc2c(Br)cccc21)c1nn[n-]n1 ZINC000486784106 650721672 /nfs/dbraw/zinc/72/16/72/650721672.db2.gz WLQCTJBNSRDBTJ-SNVBAGLBSA-N -2 3 391.229 2.487 20 0 GEADHL O=C([O-])[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000002928183 642321180 /nfs/dbraw/zinc/32/11/80/642321180.db2.gz BMVLHGKVMNJUSG-SNVBAGLBSA-N -2 3 390.280 2.485 20 0 GEADHL C[N-]S(=O)(=O)c1cc(C(=O)[N-]c2nc(-c3ccc(C)s3)ns2)co1 ZINC000130543468 643842967 /nfs/dbraw/zinc/84/29/67/643842967.db2.gz VXZZKFKBXHMFCC-UHFFFAOYSA-N -2 3 384.464 2.328 20 0 GEADHL COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cc3nnn[n-]3)cc2)c1 ZINC000164367632 644263545 /nfs/dbraw/zinc/26/35/45/644263545.db2.gz BSIZWZGBYXCSKJ-UHFFFAOYSA-N -2 3 379.829 2.253 20 0 GEADHL COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cc3nn[n-]n3)cc2)c1 ZINC000164367632 644263552 /nfs/dbraw/zinc/26/35/52/644263552.db2.gz BSIZWZGBYXCSKJ-UHFFFAOYSA-N -2 3 379.829 2.253 20 0 GEADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Br)cc3)ccc21 ZINC000226860546 645391891 /nfs/dbraw/zinc/39/18/91/645391891.db2.gz OFKDXKMWMFZRNE-UHFFFAOYSA-N -2 3 381.207 2.134 20 0 GEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(C)c2C)c1 ZINC000547964972 651058860 /nfs/dbraw/zinc/05/88/60/651058860.db2.gz VNFPIDYSMDXCSF-AWEZNQCLSA-N -2 3 383.447 2.256 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)CCC(=O)[O-])c(Cl)cc1Cl ZINC000274988926 646339327 /nfs/dbraw/zinc/33/93/27/646339327.db2.gz KMNNDDYSJGTNPP-SSDOTTSWSA-N -2 3 384.237 2.312 20 0 GEADHL O=C([O-])[C@H](CC(F)F)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000282044222 646812838 /nfs/dbraw/zinc/81/28/38/646812838.db2.gz SNVNHXXANDFHRE-ZETCQYMHSA-N -2 3 392.605 2.489 20 0 GEADHL NC(=O)c1cc(Br)cc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1 ZINC000442245459 648840082 /nfs/dbraw/zinc/84/00/82/648840082.db2.gz AVAZRKOPTYNSBS-UHFFFAOYSA-N -2 3 389.202 2.194 20 0 GEADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)(C)C ZINC000548201055 651067867 /nfs/dbraw/zinc/06/78/67/651067867.db2.gz FTSGGZVDPSRHKM-NSHDSACASA-N -2 3 398.250 2.374 20 0 GEADHL Cc1cc(CS(=O)(=O)[N-]c2ccc(Br)c(C(=O)[O-])c2)on1 ZINC000548229594 651069622 /nfs/dbraw/zinc/06/96/22/651069622.db2.gz VPDXFYZRNQVMHT-UHFFFAOYSA-N -2 3 375.200 2.386 20 0 GEADHL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000548261332 651073961 /nfs/dbraw/zinc/07/39/61/651073961.db2.gz BLGNLKRNLPTGNI-VHSXEESVSA-N -2 3 379.276 2.402 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)Cc1c(F)cccc1F)c1c(F)cccc1F ZINC000548267927 651074983 /nfs/dbraw/zinc/07/49/83/651074983.db2.gz SXUHOADPJSTUNN-AWEZNQCLSA-N -2 3 377.315 2.488 20 0 GEADHL CC1CCC([N-]S(=O)(=O)c2ccc(Br)cn2)(C(=O)[O-])CC1 ZINC000548771013 651085597 /nfs/dbraw/zinc/08/55/97/651085597.db2.gz CPTCCAIEZCIATE-UHFFFAOYSA-N -2 3 377.260 2.156 20 0 GEADHL Cc1cc(S(=O)(=O)[N-][C@@H]2C=C[C@H](C(=O)[O-])C2)c(F)cc1Br ZINC000556890258 651256332 /nfs/dbraw/zinc/25/63/32/651256332.db2.gz ZRQANOVSHAKXMB-DTWKUNHWSA-N -2 3 378.219 2.204 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)c(F)cc1Br ZINC000569908808 651732922 /nfs/dbraw/zinc/73/29/22/651732922.db2.gz OPCXEPHYEGUYHC-UHFFFAOYSA-N -2 3 380.235 2.430 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]C[C@@H](Cc2cc(F)c(F)c(F)c2)C(=O)[O-])o1 ZINC000571689787 651848496 /nfs/dbraw/zinc/84/84/96/651848496.db2.gz SQNVXPPJXIHWRQ-SNVBAGLBSA-N -2 3 377.340 2.227 20 0 GEADHL Cc1cc(C([O-])=CS(=O)(=O)c2nc(Cc3cccs3)n[n-]2)c(C)n1C ZINC000572808776 651913456 /nfs/dbraw/zinc/91/34/56/651913456.db2.gz HBJFKIIJSMWPJM-UHFFFAOYSA-N -2 3 378.479 2.069 20 0 GEADHL Cc1cc(C([O-])=CS(=O)(=O)c2nnc(Cc3cccs3)[n-]2)c(C)n1C ZINC000572808776 651913462 /nfs/dbraw/zinc/91/34/62/651913462.db2.gz HBJFKIIJSMWPJM-UHFFFAOYSA-N -2 3 378.479 2.069 20 0 GEADHL CC(C)(C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])c1ccc(F)cc1Cl ZINC000575800387 652078206 /nfs/dbraw/zinc/07/82/06/652078206.db2.gz POGJQSKHWJRCTJ-UHFFFAOYSA-N -2 3 375.809 2.157 20 0 GEADHL COc1cc(C)[n-]c(=N[N-]S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)n1 ZINC000747617514 652170508 /nfs/dbraw/zinc/17/05/08/652170508.db2.gz PBGUZKLCVLIGED-UHFFFAOYSA-N -2 3 393.252 2.414 20 0 GEADHL C[C@](CCF)(NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000659215776 652349394 /nfs/dbraw/zinc/34/93/94/652349394.db2.gz NWZMGPLDPYIUOS-OAHLLOKOSA-N -2 3 385.189 2.223 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)cnc1Cl ZINC000754267997 652431736 /nfs/dbraw/zinc/43/17/36/652431736.db2.gz SFZZDJKWLRVURY-UHFFFAOYSA-N -2 3 393.849 2.355 20 0 GEADHL CCO[C@H]1C[C@]([N-]S(=O)(=O)c2ccc(C)c(F)c2F)(C(=O)[O-])C1(C)C ZINC000629301003 652485955 /nfs/dbraw/zinc/48/59/55/652485955.db2.gz WTKRLYDGLWQQCJ-ZBEGNZNMSA-N -2 3 377.409 2.210 20 0 GEADHL CCC[C@H](O)[C@@H]([N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1)C(=O)[O-] ZINC000663287128 652488277 /nfs/dbraw/zinc/48/82/77/652488277.db2.gz WTNSNXONLBZHGT-QWHCGFSZSA-N -2 3 384.479 2.011 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]CCc2ccc(OC(F)F)cc2)oc1C(=O)[O-] ZINC000663420867 652497586 /nfs/dbraw/zinc/49/75/86/652497586.db2.gz WESCRWVHNXHXBG-UHFFFAOYSA-N -2 3 375.349 2.409 20 0 GEADHL O=C([O-])Cc1cc(Br)cc([N-]S(=O)(=O)C[C@@H]2CCCCO2)c1 ZINC000634797212 652667618 /nfs/dbraw/zinc/66/76/18/652667618.db2.gz WEWGQAQYJBLNIT-ZDUSSCGKSA-N -2 3 392.271 2.387 20 0 GEADHL CC[C@@H](CS(=O)(=O)[N-]c1cc(Br)cc(CC(=O)[O-])c1)OC ZINC000634797257 652667631 /nfs/dbraw/zinc/66/76/31/652667631.db2.gz XSDHKKBJDIXAMK-LBPRGKRZSA-N -2 3 380.260 2.243 20 0 GEADHL CO[C@@H](CS(=O)(=O)[N-]c1cc(Br)cc(CC(=O)[O-])c1)C(C)C ZINC000634797138 652667945 /nfs/dbraw/zinc/66/79/45/652667945.db2.gz SPPSTZKVVLDZFJ-ZDUSSCGKSA-N -2 3 394.287 2.489 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](CC2CC2)C(=O)[O-])c(Cl)cc1Cl ZINC000806640451 653172036 /nfs/dbraw/zinc/17/20/36/653172036.db2.gz KLXFQYDSAGBLMR-LLVKDONJSA-N -2 3 396.248 2.312 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-]C[C@H](C(=O)[O-])C(C)C)c(Cl)cc1Cl ZINC000776564208 653358184 /nfs/dbraw/zinc/35/81/84/653358184.db2.gz NGDGELBWILNHEV-VIFPVBQESA-N -2 3 398.264 2.415 20 0 GEADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C1CC1 ZINC000776575562 653360954 /nfs/dbraw/zinc/36/09/54/653360954.db2.gz RYMCCADAVBGTQM-NSHDSACASA-N -2 3 383.447 2.220 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)[C@@H](O)c1ccccc1 ZINC000776594976 653362579 /nfs/dbraw/zinc/36/25/79/653362579.db2.gz FEGMMWAQHBCVSZ-KGLIPLIRSA-N -2 3 390.244 2.459 20 0 GEADHL O=C([O-])[C@@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000776614982 653364791 /nfs/dbraw/zinc/36/47/91/653364791.db2.gz SMLZRCUKFDOQBV-LLVKDONJSA-N -2 3 375.233 2.363 20 0 GEADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@@H](CCC(C)(C)C)C(=O)[O-] ZINC000776614717 653364856 /nfs/dbraw/zinc/36/48/56/653364856.db2.gz JSLIHAPGZSRMIN-VIFPVBQESA-N -2 3 392.861 2.079 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)[C@@H](C)C(=O)[O-])c(Cl)cc1Cl ZINC000837290824 653421019 /nfs/dbraw/zinc/42/10/19/653421019.db2.gz CQDAFNKDGJSNFK-RQJHMYQMSA-N -2 3 384.237 2.168 20 0 GEADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)CCC1 ZINC000837291488 653421486 /nfs/dbraw/zinc/42/14/86/653421486.db2.gz GBMZIQZPWOLKII-UHFFFAOYSA-N -2 3 383.651 2.031 20 0 GEADHL CO[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000840890386 653697921 /nfs/dbraw/zinc/69/79/21/653697921.db2.gz NBQNLGOHNOYZHQ-GZMMTYOYSA-N -2 3 398.264 2.021 20 0 GEADHL C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)[C@H](C)O1 ZINC000840897657 653699766 /nfs/dbraw/zinc/69/97/66/653699766.db2.gz FAOMSLGQOKYKNX-GJMOJQLCSA-N -2 3 398.300 2.301 20 0 GEADHL COC(=O)[C@@H](CC1CC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000840900110 653700182 /nfs/dbraw/zinc/70/01/82/653700182.db2.gz VUJMULYHLXWBNW-SNVBAGLBSA-N -2 3 396.248 2.312 20 0 GEADHL CCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000784898867 653701082 /nfs/dbraw/zinc/70/10/82/653701082.db2.gz JVCQMSQQDVVXNL-NSHDSACASA-N -2 3 394.490 2.219 20 0 GEADHL CO[C@@H](CC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)C(F)(F)F ZINC000787249779 653736056 /nfs/dbraw/zinc/73/60/56/653736056.db2.gz JGUJKCDIBOIKCD-JTQLQIEISA-N -2 3 375.752 2.284 20 0 GEADHL O=C([O-])[C@H]1CC[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)CC1 ZINC000864443158 653736879 /nfs/dbraw/zinc/73/68/79/653736879.db2.gz QZTOTVNOBATYBL-ZKCHVHJHSA-N -2 3 397.678 2.419 20 0 GEADHL COC(=O)c1sc(S(=O)(=O)[N-][C@@H]2CCC[C@]2(C)C(=O)[O-])c(C)c1Cl ZINC000788442845 653756606 /nfs/dbraw/zinc/75/66/06/653756606.db2.gz QKJYSWQXCCURDU-CLAHSXSESA-N -2 3 395.886 2.418 20 0 GEADHL CN1CCCC(C)(C)[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000790665129 653795516 /nfs/dbraw/zinc/79/55/16/653795516.db2.gz DJGDGBNILARBSI-ZDUSSCGKSA-N -2 3 376.425 2.062 20 0 GEADHL CCOc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)n1 ZINC000821430672 653798492 /nfs/dbraw/zinc/79/84/92/653798492.db2.gz CBBYNOFGKZQUDN-UHFFFAOYSA-N -2 3 380.817 2.115 20 0 GEADHL CCOc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)n1 ZINC000821430672 653798495 /nfs/dbraw/zinc/79/84/95/653798495.db2.gz CBBYNOFGKZQUDN-UHFFFAOYSA-N -2 3 380.817 2.115 20 0 GEADHL Cc1cccc(C[C@@H](C[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)C(=O)[O-])c1 ZINC000844789809 653818137 /nfs/dbraw/zinc/81/81/37/653818137.db2.gz 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O=C([O-])C[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000899948693 654040622 /nfs/dbraw/zinc/04/06/22/654040622.db2.gz FPKVOLPZUJWOKH-KCJUWKMLSA-N -2 3 385.335 2.003 20 0 GEADHL O=C([O-])C1CC2(C1)C[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)CCS2 ZINC000899950521 654041462 /nfs/dbraw/zinc/04/14/62/654041462.db2.gz ZXZCFSFTGYVKOM-ZYTOWTHASA-N -2 3 394.877 2.281 20 0 GEADHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]N=c2ccc(C(F)(F)F)c[nH]2)c1 ZINC000918061884 654141973 /nfs/dbraw/zinc/14/19/73/654141973.db2.gz BXZOSBHMNMKFQL-UHFFFAOYSA-N -2 3 379.291 2.243 20 0 GEADHL C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000830832822 654145876 /nfs/dbraw/zinc/14/58/76/654145876.db2.gz JLJMQGZZPRGTHM-ZDUSSCGKSA-N -2 3 395.175 2.438 20 0 GEADHL Cc1nc(C)c(CC(=O)[N-]S(=O)(=O)c2csc3ccccc32)c(=O)[n-]1 ZINC000803030731 654260551 /nfs/dbraw/zinc/26/05/51/654260551.db2.gz BDJGPLSZLFVDGW-UHFFFAOYSA-N -2 3 377.447 2.061 20 0 GEADHL COc1cc(S(=O)(=O)[N-]C[C@H](CCC(=O)[O-])C(F)(F)F)cnc1Cl ZINC000853071338 654276423 /nfs/dbraw/zinc/27/64/23/654276423.db2.gz IMBJZIJXQLJTSM-ZETCQYMHSA-N -2 3 390.767 2.065 20 0 GEADHL CO[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000871933552 654284275 /nfs/dbraw/zinc/28/42/75/654284275.db2.gz RFYOITGNHVSMRN-IONNQARKSA-N -2 3 398.300 2.302 20 0 GEADHL CN(Cc1ccccc1)C[C@@H]([N-]S(=O)(=O)c1sccc1Cl)C(=O)[O-] ZINC000871996111 654305554 /nfs/dbraw/zinc/30/55/54/654305554.db2.gz CXKXUIHMNWYWLD-CYBMUJFWSA-N -2 3 388.898 2.265 20 0 GEADHL O=C([O-])c1ccc([N-]S(=O)(=O)CC2(F)CC2)cc1I ZINC000905988810 654396771 /nfs/dbraw/zinc/39/67/71/654396771.db2.gz SIEGUERGIHDIHR-UHFFFAOYSA-N -2 3 399.181 2.233 20 0 GEADHL Cc1cc(S(=O)(=O)[N-][C@H](C[C@@H]2CCCO2)C(=O)[O-])sc1Br ZINC000905999165 654398075 /nfs/dbraw/zinc/39/80/75/654398075.db2.gz BYVGGWJEPRBOQY-DTWKUNHWSA-N -2 3 398.300 2.120 20 0 GEADHL CSC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000906004355 654399605 /nfs/dbraw/zinc/39/96/05/654399605.db2.gz GNCYMNIZALABBF-QMMMGPOBSA-N -2 3 388.692 2.197 20 0 GEADHL CSC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000906004354 654399656 /nfs/dbraw/zinc/39/96/56/654399656.db2.gz GNCYMNIZALABBF-MRVPVSSYSA-N -2 3 388.692 2.197 20 0 GEADHL O=C([O-])[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)[C@H]2C[C@H]21 ZINC000926604681 654577457 /nfs/dbraw/zinc/57/74/57/654577457.db2.gz QSVONNGBVXXZJS-JIOCBJNQSA-N -2 3 383.319 2.112 20 0 GEADHL O=C([O-])C1CC2(C1)C[C@@H](NC(=O)c1cc([O-])cc(Br)c1)CCO2 ZINC000910615578 654704899 /nfs/dbraw/zinc/70/48/99/654704899.db2.gz LLZGSYBTWXDQNX-YWFMTQBDSA-N -2 3 384.226 2.297 20 0 GEADHL O=C([O-])CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)cc1 ZINC000023990329 531600816 /nfs/dbraw/zinc/60/08/16/531600816.db2.gz VUNXGZPNNKMTBP-UHFFFAOYSA-N -2 3 386.788 2.094 20 0 GEADHL CC[N-]S(=O)(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1cc(C)cc(F)c1 ZINC000153713361 531607285 /nfs/dbraw/zinc/60/72/85/531607285.db2.gz JGQCGVHQJVTZPG-UHFFFAOYSA-N -2 3 390.433 2.372 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCCCO2)c(Br)s1 ZINC000042818020 531672885 /nfs/dbraw/zinc/67/28/85/531672885.db2.gz JCYVOUBTBIYWNX-ZETCQYMHSA-N -2 3 384.273 2.056 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)c(F)c1 ZINC000130452711 532192666 /nfs/dbraw/zinc/19/26/66/532192666.db2.gz WYCJQAXTJYXBMC-UHFFFAOYSA-N -2 3 398.359 2.415 20 0 GEADHL Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000135330810 532270891 /nfs/dbraw/zinc/27/08/91/532270891.db2.gz HMCHUIBUWAUPMZ-UHFFFAOYSA-N -2 3 376.406 2.446 20 0 GEADHL C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000135571502 532275988 /nfs/dbraw/zinc/27/59/88/532275988.db2.gz WFXAFLHNEBATFU-AAEUAGOBSA-N -2 3 377.260 2.156 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c(C)o1 ZINC000182805817 532317975 /nfs/dbraw/zinc/31/79/75/532317975.db2.gz XHGXHSCDSPKAEA-UHFFFAOYSA-N -2 3 388.442 2.277 20 0 GEADHL C[C@@]1(c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)NC(=O)[N-]C1=O ZINC000515409868 532362893 /nfs/dbraw/zinc/36/28/93/532362893.db2.gz OCCOZDDCWWJTPK-INIZCTEOSA-N -2 3 379.825 2.195 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)[C@@H]1CCOC2(CCC2)C1 ZINC000372263148 532380441 /nfs/dbraw/zinc/38/04/41/532380441.db2.gz UYAIDGCMOGWYMH-YGRLFVJLSA-N -2 3 375.393 2.046 20 0 GEADHL COc1cc(F)c(Br)cc1S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-] ZINC000516785543 532391064 /nfs/dbraw/zinc/39/10/64/532391064.db2.gz NGAZQTRTAKVRDA-UHFFFAOYSA-N -2 3 398.250 2.376 20 0 GEADHL COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)C2CC2)c1 ZINC000558685857 532396725 /nfs/dbraw/zinc/39/67/25/532396725.db2.gz BUWKSLDOJADLNL-ISVAXAHUSA-N -2 3 392.271 2.235 20 0 GEADHL O=C([O-])[C@H]1C=C[C@@H]([N-]S(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000560076963 532412636 /nfs/dbraw/zinc/41/26/36/532412636.db2.gz KIHQHIOGWQZMGT-JGVFFNPUSA-N -2 3 380.647 2.410 20 0 GEADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cn1)Cc1ccccc1 ZINC000681577689 532432191 /nfs/dbraw/zinc/43/21/91/532432191.db2.gz XGQQIURVKTWRED-GFCCVEGCSA-N -2 3 399.266 2.066 20 0 GEADHL CC(C)c1nc(S(=O)(=O)[N-][C@H](Cc2c(F)cccc2Cl)C(=O)[O-])c[nH]1 ZINC000681578852 532432260 /nfs/dbraw/zinc/43/22/60/532432260.db2.gz LCGPWCZROPUPLZ-GFCCVEGCSA-N -2 3 389.836 2.300 20 0 GEADHL COCC1(S(=O)(=O)[N-]c2c(C)ccc(Br)c2C(=O)[O-])CC1 ZINC000650405578 532443501 /nfs/dbraw/zinc/44/35/01/532443501.db2.gz VLRDFDHBUOZBBW-UHFFFAOYSA-N -2 3 378.244 2.376 20 0 GEADHL COCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)C(=O)[O-] ZINC000650393495 532441771 /nfs/dbraw/zinc/44/17/71/532441771.db2.gz BEVKJMVOCMUEDD-QMMMGPOBSA-N -2 3 391.751 2.007 20 0 GEADHL COC1(C[C@H]([N-]S(=O)(=O)c2ccccc2C(F)(F)F)C(=O)[O-])CCC1 ZINC000650432025 532447038 /nfs/dbraw/zinc/44/70/38/532447038.db2.gz KXBDCKIRZHHNGW-NSHDSACASA-N -2 3 381.372 2.396 20 0 GEADHL COc1ccc(Br)c(S(=O)(=O)[N-]C[C@H](CC2CC2)C(=O)[O-])c1 ZINC000650431567 532447097 /nfs/dbraw/zinc/44/70/97/532447097.db2.gz VZOPBXZVCDWGFN-JTQLQIEISA-N -2 3 392.271 2.237 20 0 GEADHL COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C1([C@@H](C)C(=O)[O-])CC1 ZINC000650427621 532447307 /nfs/dbraw/zinc/44/73/07/532447307.db2.gz NVGXPPZYCFYJSP-QWRGUYRKSA-N -2 3 391.873 2.285 20 0 GEADHL C[C@H]1OCC[C@@H]1S(=O)(=O)[N-]c1cc(Br)c(F)cc1C(=O)[O-] ZINC000650420542 532445922 /nfs/dbraw/zinc/44/59/22/532445922.db2.gz AUKDYXDLBONQKX-KBUNVGBDSA-N -2 3 382.207 2.206 20 0 GEADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000519073117 532454761 /nfs/dbraw/zinc/45/47/61/532454761.db2.gz TVNNDUCXDBRUHK-CYBMUJFWSA-N -2 3 387.816 2.462 20 0 GEADHL CC(C)(CCC(=O)[O-])NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000519538168 532468026 /nfs/dbraw/zinc/46/80/26/532468026.db2.gz BGWYRAABXZVZGJ-UHFFFAOYSA-N -2 3 397.280 2.031 20 0 GEADHL COc1ccc(Br)cc1S(=O)(=O)[N-]CCC[C@@H](C)C(=O)[O-] ZINC000229517525 532491500 /nfs/dbraw/zinc/49/15/00/532491500.db2.gz DVDPLNFJMZWLPW-SECBINFHSA-N -2 3 380.260 2.237 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)[C@@H]1CCCO1 ZINC000630422096 532518806 /nfs/dbraw/zinc/51/88/06/532518806.db2.gz JMQDCLOQFMSCFY-VHSXEESVSA-N -2 3 398.662 2.013 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1F ZINC000431171343 532506759 /nfs/dbraw/zinc/50/67/59/532506759.db2.gz RUUOTXNFDPVRNL-UHFFFAOYSA-N -2 3 398.359 2.415 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)[C@H]1CCCO1 ZINC000630422173 532519212 /nfs/dbraw/zinc/51/92/12/532519212.db2.gz KSJJQQIOLHNTTO-GHMZBOCLSA-N -2 3 398.662 2.013 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)[C@H]1CCCO1 ZINC000630420992 532518256 /nfs/dbraw/zinc/51/82/56/532518256.db2.gz BAZYMGNYDBFILZ-MWLCHTKSSA-N -2 3 387.763 2.269 20 0 GEADHL COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@@](C)(C(=O)[O-])C1CC1 ZINC000564922087 532537965 /nfs/dbraw/zinc/53/79/65/532537965.db2.gz HRBVBPDXIKSTSV-MRXNPFEDSA-N -2 3 391.873 2.287 20 0 GEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H]1OC ZINC000564923391 532538127 /nfs/dbraw/zinc/53/81/27/532538127.db2.gz IMJYTNRPTGYZDB-JOYOIKCWSA-N -2 3 377.846 2.140 20 0 GEADHL O=C([O-])c1csc(S(=O)(=O)[N-]CC2(c3ccccc3)CCOCC2)c1 ZINC000522025777 532522085 /nfs/dbraw/zinc/52/20/85/532522085.db2.gz XLMLVMUPHLJXNJ-UHFFFAOYSA-N -2 3 381.475 2.473 20 0 GEADHL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000296955320 532555967 /nfs/dbraw/zinc/55/59/67/532555967.db2.gz NJCULNGRXYWGRR-SSDOTTSWSA-N -2 3 385.667 2.419 20 0 GEADHL CSc1ccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)nc1 ZINC000433382658 532566215 /nfs/dbraw/zinc/56/62/15/532566215.db2.gz PBRHVUWIQGDYRA-UHFFFAOYSA-N -2 3 391.471 2.115 20 0 GEADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)C(=O)OC(C)(C)C ZINC000596089877 532585505 /nfs/dbraw/zinc/58/55/05/532585505.db2.gz YQYZGKKEJIKRBE-CABZTGNLSA-N -2 3 375.443 2.321 20 0 GEADHL COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C ZINC000262335117 532590521 /nfs/dbraw/zinc/59/05/21/532590521.db2.gz BQMIKDFAWHNKIJ-QMTHXVAHSA-N -2 3 379.862 2.141 20 0 GEADHL CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000262459987 532594050 /nfs/dbraw/zinc/59/40/50/532594050.db2.gz MELZNJBTLFNHJF-GFCCVEGCSA-N -2 3 375.418 2.028 20 0 GEADHL COCc1cccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)c1 ZINC000433600462 532573164 /nfs/dbraw/zinc/57/31/64/532573164.db2.gz SQIITRIMUAVXFD-UHFFFAOYSA-N -2 3 388.442 2.144 20 0 GEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000297331246 532581112 /nfs/dbraw/zinc/58/11/12/532581112.db2.gz XUOMICSJULUHDF-PWSUYJOCSA-N -2 3 375.468 2.237 20 0 GEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@H](C)C[C@@H]1CCCO1 ZINC000566559730 532615209 /nfs/dbraw/zinc/61/52/09/532615209.db2.gz UZGUSNQJSXMSNG-KOLCDFICSA-N -2 3 377.846 2.283 20 0 GEADHL CO[C@H](CS(=O)(=O)[N-]c1cccc(Br)c1C(=O)[O-])C1CC1 ZINC000530148211 532617011 /nfs/dbraw/zinc/61/70/11/532617011.db2.gz CNELWNNBYJXZDS-LLVKDONJSA-N -2 3 378.244 2.314 20 0 GEADHL CC[C@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1)C(=O)[O-] ZINC000566172850 532597515 /nfs/dbraw/zinc/59/75/15/532597515.db2.gz HAYSTGQQQIPTJL-BZNIZROVSA-N -2 3 391.873 2.287 20 0 GEADHL Cc1ccc(Br)c(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)F)c1 ZINC000566643207 532622275 /nfs/dbraw/zinc/62/22/75/532622275.db2.gz FMABUTYWUVNZTA-MRVPVSSYSA-N -2 3 386.214 2.392 20 0 GEADHL CO[C@@H](C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-])C1CC1 ZINC000656168316 532606659 /nfs/dbraw/zinc/60/66/59/532606659.db2.gz QCQFVKOZOVZMCH-BDAKNGLRSA-N -2 3 387.401 2.314 20 0 GEADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-][C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000656180801 532609684 /nfs/dbraw/zinc/60/96/84/532609684.db2.gz MEFBVJYFFKBFFK-AAEUAGOBSA-N -2 3 381.372 2.472 20 0 GEADHL CO[C@@H](CS(=O)(=O)[N-]c1ccccc1[N-]S(C)(=O)=O)C1CCCC1 ZINC000656617063 532622720 /nfs/dbraw/zinc/62/27/20/532622720.db2.gz ZMVKDMDFCLHODV-HNNXBMFYSA-N -2 3 376.500 2.005 20 0 GEADHL CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000263565308 532629962 /nfs/dbraw/zinc/62/99/62/532629962.db2.gz VNXOPUFMSVHXHK-UHFFFAOYSA-N -2 3 392.271 2.306 20 0 GEADHL Cn1c2cc([O-])c(NC(=O)c3cc(Br)ccc3[O-])cc2n(C)c1=O ZINC000436620839 532639410 /nfs/dbraw/zinc/63/94/10/532639410.db2.gz UVNMWVQPCZPECG-UHFFFAOYSA-N -2 3 392.209 2.303 20 0 GEADHL C/C=C/C[C@@H]([N-]S(=O)(=O)c1cc(Br)cc2c1OCC2)C(=O)[O-] ZINC000567808000 532665992 /nfs/dbraw/zinc/66/59/92/532665992.db2.gz BZXPYRCIYPSAKK-KXMPLOMGSA-N -2 3 390.255 2.082 20 0 GEADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)c1cc(Cl)ccc1C ZINC000484554278 532681214 /nfs/dbraw/zinc/68/12/14/532681214.db2.gz GWTUYSSUTIFVBB-UHFFFAOYSA-N -2 3 386.813 2.351 20 0 GEADHL O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)c1c(F)ccc([O-])c1F ZINC000575218625 532717918 /nfs/dbraw/zinc/71/79/18/532717918.db2.gz HUQHJPYPACOJLH-UHFFFAOYSA-N -2 3 396.824 2.094 20 0 GEADHL CCn1nccc1S(=O)(=O)[N-][C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000646048524 532721114 /nfs/dbraw/zinc/72/11/14/532721114.db2.gz SSVMNWJAUVSWDT-LBPRGKRZSA-N -2 3 377.344 2.183 20 0 GEADHL COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCC[C@H]1C(=O)[O-] ZINC000646045288 532721627 /nfs/dbraw/zinc/72/16/27/532721627.db2.gz DFVVXFXNQJIGBH-RTXFEEFZSA-N -2 3 391.873 2.285 20 0 GEADHL O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)[N-]O[C@@H]1CCCCO1 ZINC000299722779 532737588 /nfs/dbraw/zinc/73/75/88/532737588.db2.gz XPBSETJZADUFED-CYBMUJFWSA-N -2 3 397.280 2.236 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@H]2CC=CCC2)c(F)c1 ZINC000451216096 532761945 /nfs/dbraw/zinc/76/19/45/532761945.db2.gz LWGMUZFQHHFOLK-GFCCVEGCSA-N -2 3 376.475 2.364 20 0 GEADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])C(=O)[O-])c1Cl ZINC000319994019 532786418 /nfs/dbraw/zinc/78/64/18/532786418.db2.gz KVCWANNBJLYZLK-VIFPVBQESA-N -3 3 384.237 2.207 20 0 GEADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@H](CCC(=O)[O-])C(=O)[O-])c1Cl ZINC000319994016 532786568 /nfs/dbraw/zinc/78/65/68/532786568.db2.gz KVCWANNBJLYZLK-SECBINFHSA-N -3 3 384.237 2.207 20 0 GEADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCC[C@@]1(C)C(=O)[O-] ZINC000547566399 532786795 /nfs/dbraw/zinc/78/67/95/532786795.db2.gz VEYAPZZBBOQKMZ-CZUORRHYSA-N -2 3 389.857 2.438 20 0 GEADHL CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cncc(Br)c1)C(=O)[O-] ZINC000547609618 532787922 /nfs/dbraw/zinc/78/79/22/532787922.db2.gz UENDUPSQQSBHGU-CABZTGNLSA-N -2 3 379.276 2.402 20 0 GEADHL Cn1cc([C@@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C(=O)[O-])cn1 ZINC000322744832 532788483 /nfs/dbraw/zinc/78/84/83/532788483.db2.gz VZWHKEIQEOENJA-SNVBAGLBSA-N -2 3 398.655 2.485 20 0 GEADHL CCn1cc(S(=O)(=O)[N-]C[C@H](Cc2ccccc2Cl)C(=O)[O-])nc1C ZINC000548203958 532789235 /nfs/dbraw/zinc/78/92/35/532789235.db2.gz WYVOLPPFHZEUCF-ZDUSSCGKSA-N -2 3 385.873 2.087 20 0 GEADHL COC(=O)CC[C@H]([N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl)C(=O)[O-] ZINC000325331119 532789554 /nfs/dbraw/zinc/78/95/54/532789554.db2.gz GIHKDHPRONBBDL-JTQLQIEISA-N -2 3 398.264 2.295 20 0 GEADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@H](CC(=O)c2cccs2)C(=O)[O-])cc1F ZINC000548221346 532789633 /nfs/dbraw/zinc/78/96/33/532789633.db2.gz VEHGTGQRHOETKW-NSHDSACASA-N -2 3 389.401 2.339 20 0 GEADHL O=C([O-])[C@H](CC1CCCC1)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000548223703 532790024 /nfs/dbraw/zinc/79/00/24/532790024.db2.gz QMKPNNSBMYAHKF-NSHDSACASA-N -2 3 377.260 2.156 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@](C)(CCC(C)(C)C)C(=O)[O-])s1 ZINC000551588369 532800943 /nfs/dbraw/zinc/80/09/43/532800943.db2.gz TXIZRDAAEKQBBG-HNNXBMFYSA-N -2 3 377.484 2.483 20 0 GEADHL C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Br)CCO1 ZINC000273691039 532830750 /nfs/dbraw/zinc/83/07/50/532830750.db2.gz MCJXHMAZVSKTAK-SFYZADRCSA-N -2 3 396.234 2.132 20 0 GEADHL COC(=O)CCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000273624316 532828657 /nfs/dbraw/zinc/82/86/57/532828657.db2.gz BHSWKRXRIPNNKP-UHFFFAOYSA-N -2 3 384.237 2.313 20 0 GEADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCCSC2)s1 ZINC000273712699 532832250 /nfs/dbraw/zinc/83/22/50/532832250.db2.gz LIWYUHJYKBMPSI-ZCFIWIBFSA-N -2 3 386.314 2.383 20 0 GEADHL CC(C)[C@H]([N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(F)(F)F ZINC000414482458 532831109 /nfs/dbraw/zinc/83/11/09/532831109.db2.gz XUOQUEUTTOVKIC-NSHDSACASA-N -2 3 392.396 2.062 20 0 GEADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl)C(=O)NC(C)(C)C ZINC000273781289 532834223 /nfs/dbraw/zinc/83/42/23/532834223.db2.gz YZGFBIOZBCIUJW-ZETCQYMHSA-N -2 3 397.280 2.273 20 0 GEADHL CCC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl)C(=O)[O-] ZINC000275001639 532861263 /nfs/dbraw/zinc/86/12/63/532861263.db2.gz LZZXRNNIXSSKPZ-QMMMGPOBSA-N -2 3 384.237 2.103 20 0 GEADHL COC(=O)Cc1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])CC(C)(C)C)s1 ZINC000275036141 532861879 /nfs/dbraw/zinc/86/18/79/532861879.db2.gz QPOKPWRPKHQCPY-SNVBAGLBSA-N -2 3 377.484 2.021 20 0 GEADHL Cc1nc(-c2ccc(S(=O)(=O)[N-]CCSCC(=O)[O-])s2)cs1 ZINC000275065128 532862980 /nfs/dbraw/zinc/86/29/80/532862980.db2.gz VJBXHARATUFYGB-UHFFFAOYSA-N -2 3 378.522 2.276 20 0 GEADHL C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1)CC(=O)[O-] ZINC000275134824 532865772 /nfs/dbraw/zinc/86/57/72/532865772.db2.gz JBSMNAAOZFCKCQ-RYUDHWBXSA-N -2 3 391.873 2.144 20 0 GEADHL COc1cc(Cl)c(S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-])cc1Cl ZINC000275333828 532873031 /nfs/dbraw/zinc/87/30/31/532873031.db2.gz UKELUTOFDUVTNN-ZETCQYMHSA-N -2 3 378.180 2.389 20 0 GEADHL O=C([O-])c1ccc(Br)c([N-]S(=O)(=O)C[C@@H]2CCCCO2)c1 ZINC000275347971 532873461 /nfs/dbraw/zinc/87/34/61/532873461.db2.gz VXHLKKCDBLZXRU-JTQLQIEISA-N -2 3 378.244 2.458 20 0 GEADHL COc1cc(Cl)c(S(=O)(=O)[N-][C@H](CC(F)F)C(=O)[O-])cc1Cl ZINC000275333824 532873165 /nfs/dbraw/zinc/87/31/65/532873165.db2.gz UKELUTOFDUVTNN-SSDOTTSWSA-N -2 3 378.180 2.389 20 0 GEADHL Cc1c(S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-])cnn1-c1ccc(Cl)cc1 ZINC000275377599 532874214 /nfs/dbraw/zinc/87/42/14/532874214.db2.gz ZIMFRAPSGWAGBN-NSHDSACASA-N -2 3 393.799 2.221 20 0 GEADHL CCO[C@H]1C[C@@]([N-]S(=O)(=O)c2cc(F)c(C)cc2F)(C(=O)[O-])C1(C)C ZINC000275528490 532877672 /nfs/dbraw/zinc/87/76/72/532877672.db2.gz BLOGYTDQHYAFQF-XJKSGUPXSA-N -2 3 377.409 2.210 20 0 GEADHL COCc1cc(Cl)cc(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-])c1 ZINC000290648867 532885887 /nfs/dbraw/zinc/88/58/87/532885887.db2.gz MTBSFAREXPROJB-SNVBAGLBSA-N -2 3 375.752 2.170 20 0 GEADHL CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cc(C)ccc1[N-]S(C)(=O)=O ZINC000421143512 532888022 /nfs/dbraw/zinc/88/80/22/532888022.db2.gz AOFAWMWZBHCUAP-ZDUSSCGKSA-N -2 3 378.516 2.169 20 0 GEADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-][C@H]2CCCN(C3CCCCC3)C2)s1 ZINC000364131406 532903806 /nfs/dbraw/zinc/90/38/06/532903806.db2.gz VWPQFILDJQXLDG-ZDUSSCGKSA-N -2 3 386.539 2.451 20 0 GEADHL COc1c(C)ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000737023304 598841549 /nfs/dbraw/zinc/84/15/49/598841549.db2.gz JVCVXXVSVVFATR-UHFFFAOYSA-N -2 3 377.401 2.432 20 0 GEADHL COc1c(C)ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000737023304 598841550 /nfs/dbraw/zinc/84/15/50/598841550.db2.gz JVCVXXVSVVFATR-UHFFFAOYSA-N -2 3 377.401 2.432 20 0 GEADHL C[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000735986999 598924255 /nfs/dbraw/zinc/92/42/55/598924255.db2.gz VZAWYXGPERYOSS-LBPRGKRZSA-N -2 3 377.470 2.029 20 0 GEADHL C[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000735986999 598924257 /nfs/dbraw/zinc/92/42/57/598924257.db2.gz VZAWYXGPERYOSS-LBPRGKRZSA-N -2 3 377.470 2.029 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC000737297563 598931702 /nfs/dbraw/zinc/93/17/02/598931702.db2.gz BZPGJWYSCIVVMN-UHFFFAOYSA-N -2 3 399.432 2.015 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC000737297563 598931703 /nfs/dbraw/zinc/93/17/03/598931703.db2.gz BZPGJWYSCIVVMN-UHFFFAOYSA-N -2 3 399.432 2.015 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2C)sc1C(=O)[O-] ZINC000822211477 607255297 /nfs/dbraw/zinc/25/52/97/607255297.db2.gz AJMMEMIPBNHXQT-UHFFFAOYSA-N -3 3 379.423 2.044 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2C)sc1C(=O)[O-] ZINC000822211477 607255298 /nfs/dbraw/zinc/25/52/98/607255298.db2.gz AJMMEMIPBNHXQT-UHFFFAOYSA-N -3 3 379.423 2.044 20 0 GEADHL CC[C@@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736354269 598973850 /nfs/dbraw/zinc/97/38/50/598973850.db2.gz STGZJCGIZHDRKG-HNNXBMFYSA-N -2 3 399.476 2.249 20 0 GEADHL CC[C@@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736354269 598973851 /nfs/dbraw/zinc/97/38/51/598973851.db2.gz STGZJCGIZHDRKG-HNNXBMFYSA-N -2 3 399.476 2.249 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1ccc(C(F)F)cc1 ZINC000737297529 598974403 /nfs/dbraw/zinc/97/44/03/598974403.db2.gz AYJNRZLMWWREHF-UHFFFAOYSA-N -2 3 393.375 2.231 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1ccc(C(F)F)cc1 ZINC000737297529 598974405 /nfs/dbraw/zinc/97/44/05/598974405.db2.gz AYJNRZLMWWREHF-UHFFFAOYSA-N -2 3 393.375 2.231 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C[C@@H](C)CC(C)(C)C ZINC000737300491 598977040 /nfs/dbraw/zinc/97/70/40/598977040.db2.gz ZJVFFYYOHZCCJI-LLVKDONJSA-N -2 3 379.486 2.442 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C[C@@H](C)CC(C)(C)C ZINC000737300491 598977042 /nfs/dbraw/zinc/97/70/42/598977042.db2.gz ZJVFFYYOHZCCJI-LLVKDONJSA-N -2 3 379.486 2.442 20 0 GEADHL CCSCc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000736666856 599097785 /nfs/dbraw/zinc/09/77/85/599097785.db2.gz OTLNXMAARNUCCZ-UHFFFAOYSA-N -2 3 376.467 2.316 20 0 GEADHL CCSCc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c1 ZINC000736666856 599097787 /nfs/dbraw/zinc/09/77/87/599097787.db2.gz OTLNXMAARNUCCZ-UHFFFAOYSA-N -2 3 376.467 2.316 20 0 GEADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000736184963 599219776 /nfs/dbraw/zinc/21/97/76/599219776.db2.gz QIFOQASTDWLPJA-IAQYHMDHSA-N -2 3 399.382 2.105 20 0 GEADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000736184963 599219779 /nfs/dbraw/zinc/21/97/79/599219779.db2.gz QIFOQASTDWLPJA-IAQYHMDHSA-N -2 3 399.382 2.105 20 0 GEADHL O=C([O-])CCCNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000263476360 597310952 /nfs/dbraw/zinc/31/09/52/597310952.db2.gz MSGYBOWWHPVZBN-UHFFFAOYSA-N -2 3 383.832 2.271 20 0 GEADHL O=C([O-])[C@H]1CCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000498815178 597494338 /nfs/dbraw/zinc/49/43/38/597494338.db2.gz HFGFUQAIVPICAX-MRXNPFEDSA-N -2 3 392.408 2.316 20 0 GEADHL CC(=O)NCCN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])[C@@H](C)C(=O)[O-] ZINC000263455787 597691718 /nfs/dbraw/zinc/69/17/18/597691718.db2.gz UMRJFRKVJMXEQM-AWEZNQCLSA-N -2 3 384.432 2.034 20 0 GEADHL O=C([O-])Cc1ccccc1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000821539817 598023223 /nfs/dbraw/zinc/02/32/23/598023223.db2.gz RAMSFEFUHHTUMW-UHFFFAOYSA-N -2 3 383.404 2.009 20 0 GEADHL C[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000735976242 598306727 /nfs/dbraw/zinc/30/67/27/598306727.db2.gz PJRITMOCMYLBNR-ZDUSSCGKSA-N -2 3 391.497 2.419 20 0 GEADHL C[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000735976242 598306729 /nfs/dbraw/zinc/30/67/29/598306729.db2.gz PJRITMOCMYLBNR-ZDUSSCGKSA-N -2 3 391.497 2.419 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1sccc1C1CC1 ZINC000738139783 598332101 /nfs/dbraw/zinc/33/21/01/598332101.db2.gz PVPGZTMTSIERNW-UHFFFAOYSA-N -2 3 389.462 2.065 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1sccc1C1CC1 ZINC000738139783 598332103 /nfs/dbraw/zinc/33/21/03/598332103.db2.gz PVPGZTMTSIERNW-UHFFFAOYSA-N -2 3 389.462 2.065 20 0 GEADHL CC(C)c1ccc(S([O-])=CC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735928674 598492158 /nfs/dbraw/zinc/49/21/58/598492158.db2.gz PFEJOOJZUMXGPG-MHZLTWQESA-N -2 3 383.477 2.414 20 0 GEADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccc(F)cc1 ZINC000738345510 598548919 /nfs/dbraw/zinc/54/89/19/598548919.db2.gz PUOOKNLTHDOTGJ-UHFFFAOYSA-N -2 3 385.327 2.408 20 0 GEADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1OC(F)F)c1ccccc1F ZINC000738345490 598548971 /nfs/dbraw/zinc/54/89/71/598548971.db2.gz OIBUAYUOHDPBTQ-UHFFFAOYSA-N -2 3 385.327 2.408 20 0 GEADHL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737047335 598593082 /nfs/dbraw/zinc/59/30/82/598593082.db2.gz MCGHLSNSZZMIPY-UHFFFAOYSA-N -2 3 383.792 2.469 20 0 GEADHL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000737047335 598593084 /nfs/dbraw/zinc/59/30/84/598593084.db2.gz MCGHLSNSZZMIPY-UHFFFAOYSA-N -2 3 383.792 2.469 20 0 GEADHL O=S(=O)([N-]c1n[nH]c2ccccc12)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738339993 599324711 /nfs/dbraw/zinc/32/47/11/599324711.db2.gz RYJZGOLNFFALKG-UHFFFAOYSA-N -2 3 375.801 2.197 20 0 GEADHL O=S(=O)([N-]c1n[nH]c2ccccc12)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738339993 599324714 /nfs/dbraw/zinc/32/47/14/599324714.db2.gz RYJZGOLNFFALKG-UHFFFAOYSA-N -2 3 375.801 2.197 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cnn1-c1ccccc1F ZINC000822128517 607376481 /nfs/dbraw/zinc/37/64/81/607376481.db2.gz DABRDFBGQGCQBI-UHFFFAOYSA-N -2 3 399.411 2.301 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cnn1-c1ccccc1F ZINC000822128517 607376483 /nfs/dbraw/zinc/37/64/83/607376483.db2.gz DABRDFBGQGCQBI-UHFFFAOYSA-N -2 3 399.411 2.301 20 0 GEADHL O=S(=O)([N-]c1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1)c1c[nH]cn1 ZINC000738342820 599471384 /nfs/dbraw/zinc/47/13/84/599471384.db2.gz QVCZDUQOSPYWLC-UHFFFAOYSA-N -2 3 383.393 2.183 20 0 GEADHL O=S(=O)([N-]c1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1)c1c[nH]cn1 ZINC000738342820 599471387 /nfs/dbraw/zinc/47/13/87/599471387.db2.gz QVCZDUQOSPYWLC-UHFFFAOYSA-N -2 3 383.393 2.183 20 0 GEADHL C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccs1 ZINC000735552201 599616914 /nfs/dbraw/zinc/61/69/14/599616914.db2.gz VUQMPEYOJIQKHN-QMMMGPOBSA-N -2 3 397.869 2.190 20 0 GEADHL C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccs1 ZINC000735552201 599616916 /nfs/dbraw/zinc/61/69/16/599616916.db2.gz VUQMPEYOJIQKHN-QMMMGPOBSA-N -2 3 397.869 2.190 20 0 GEADHL O=C(CC/C=C/c1ccccc1)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000737826202 599618006 /nfs/dbraw/zinc/61/80/06/599618006.db2.gz RDPKYIMTWUIRPH-ONNFQVAWSA-N -2 3 397.460 2.306 20 0 GEADHL O=C(CC/C=C/c1ccccc1)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000737826202 599618007 /nfs/dbraw/zinc/61/80/07/599618007.db2.gz RDPKYIMTWUIRPH-ONNFQVAWSA-N -2 3 397.460 2.306 20 0 GEADHL CC(C)[C@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820016241 599620352 /nfs/dbraw/zinc/62/03/52/599620352.db2.gz KZKKXIPYNJHOBQ-INIZCTEOSA-N -2 3 385.449 2.111 20 0 GEADHL CC(C)[C@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820016241 599620353 /nfs/dbraw/zinc/62/03/53/599620353.db2.gz KZKKXIPYNJHOBQ-INIZCTEOSA-N -2 3 385.449 2.111 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000823285478 599621899 /nfs/dbraw/zinc/62/18/99/599621899.db2.gz UFLBGSMXVVPERL-JKSUJKDBSA-N -2 3 389.481 2.029 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000823285478 599621900 /nfs/dbraw/zinc/62/19/00/599621900.db2.gz UFLBGSMXVVPERL-JKSUJKDBSA-N -2 3 389.481 2.029 20 0 GEADHL COc1ccccc1[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)N1CCCC1 ZINC000738119522 599766907 /nfs/dbraw/zinc/76/69/07/599766907.db2.gz IPMSMGDTTYGRGP-CQSZACIVSA-N -2 3 394.449 2.102 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCOc2ccc(C(F)(F)F)cc2)o1 ZINC000740176712 599772481 /nfs/dbraw/zinc/77/24/81/599772481.db2.gz RTQBYHWNFNIUSW-UHFFFAOYSA-N -2 3 379.312 2.354 20 0 GEADHL CCC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C(=O)[O-] ZINC000736959636 599797968 /nfs/dbraw/zinc/79/79/68/599797968.db2.gz RVKZVJUPPJWPNI-CQSZACIVSA-N -2 3 380.825 2.359 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000728016070 599801191 /nfs/dbraw/zinc/80/11/91/599801191.db2.gz HJFQYVMSLITQKF-UHFFFAOYSA-N -2 3 380.397 2.161 20 0 GEADHL O=C([O-])CCc1ccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000739759953 599825512 /nfs/dbraw/zinc/82/55/12/599825512.db2.gz MTICKBGQVBBIMJ-UHFFFAOYSA-N -2 3 397.431 2.399 20 0 GEADHL Cc1ccsc1CCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826316366 607398481 /nfs/dbraw/zinc/39/84/81/607398481.db2.gz LTFHBZFAUAEKBW-UHFFFAOYSA-N -2 3 391.478 2.064 20 0 GEADHL Cc1ccsc1CCCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826316366 607398483 /nfs/dbraw/zinc/39/84/83/607398483.db2.gz LTFHBZFAUAEKBW-UHFFFAOYSA-N -2 3 391.478 2.064 20 0 GEADHL Cc1nc(C)c(CCC(=O)N(CC(=O)[O-])Cc2ccc(F)c(F)c2)c(=O)[n-]1 ZINC000738847873 599833258 /nfs/dbraw/zinc/83/32/58/599833258.db2.gz QIVLBWSMTGZUTC-UHFFFAOYSA-N -2 3 379.363 2.123 20 0 GEADHL O=C([O-])c1cc2ccccc2cc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000068216291 600052614 /nfs/dbraw/zinc/05/26/14/600052614.db2.gz NKYXEAXBHZVMMW-UHFFFAOYSA-N -3 3 396.380 2.222 20 0 GEADHL Cc1cccc(C[C@@H](CNC(=O)CCNC(=O)c2ccc(C)cc2[O-])C(=O)[O-])c1 ZINC000738701754 600103789 /nfs/dbraw/zinc/10/37/89/600103789.db2.gz FNQWGXWEIIGDOF-KRWDZBQOSA-N -2 3 398.459 2.189 20 0 GEADHL O=C([O-])c1ccc(CCC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000740122488 600106065 /nfs/dbraw/zinc/10/60/65/600106065.db2.gz PIBDBZGMFDUCSY-UHFFFAOYSA-N -2 3 382.416 2.008 20 0 GEADHL C[C@](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)(C(=O)[O-])C1CC1 ZINC000237454213 600199445 /nfs/dbraw/zinc/19/94/45/600199445.db2.gz GWJDVEAGDWOHOF-MRXNPFEDSA-N -2 3 379.210 2.274 20 0 GEADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CN(C)C(=O)[O-])cc1 ZINC000738463890 600301395 /nfs/dbraw/zinc/30/13/95/600301395.db2.gz SEUDVFVQKITQPT-UHFFFAOYSA-N -3 3 394.405 2.309 20 0 GEADHL Cc1nc(-c2ccc(NC(=O)NCCSCCC(=O)[O-])cc2)cc(=O)[n-]1 ZINC000738830289 600316745 /nfs/dbraw/zinc/31/67/45/600316745.db2.gz ZTWQNLXTERLRCC-UHFFFAOYSA-N -2 3 376.438 2.487 20 0 GEADHL COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)[N-]c2ccccc2CN(C)C)c1 ZINC000737681734 600360035 /nfs/dbraw/zinc/36/00/35/600360035.db2.gz KKEAWYJSCROQMG-UHFFFAOYSA-N -2 3 392.433 2.034 20 0 GEADHL O=C([O-])c1ccc(OCC[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC000740167271 600445172 /nfs/dbraw/zinc/44/51/72/600445172.db2.gz AOFWVHYWDNFTMT-UHFFFAOYSA-N -2 3 391.232 2.444 20 0 GEADHL O=C([O-])CSCc1cccc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000739867222 600510340 /nfs/dbraw/zinc/51/03/40/600510340.db2.gz FXYICMBNUFKVCX-UHFFFAOYSA-N -2 3 392.408 2.104 20 0 GEADHL O=C([O-])Cn1cc([N-]S(=O)(=O)/C=C\c2ccc(Br)cc2)cn1 ZINC000739911571 600530400 /nfs/dbraw/zinc/53/04/00/600530400.db2.gz CPMXXVBQTLGQHP-WAYWQWQTSA-N -2 3 386.227 2.143 20 0 GEADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)(C)C ZINC000737840583 600589696 /nfs/dbraw/zinc/58/96/96/600589696.db2.gz YRDHFEQHVXMUKL-LLVKDONJSA-N -2 3 398.250 2.374 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccccn2)c(F)cc1Br ZINC000740088389 600632041 /nfs/dbraw/zinc/63/20/41/600632041.db2.gz VIQIZCDHMMDTGE-UHFFFAOYSA-N -2 3 389.202 2.160 20 0 GEADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F)[C@@H]1CCCO1 ZINC000736665792 600632697 /nfs/dbraw/zinc/63/26/97/600632697.db2.gz ZGRNSFUHDJKIMK-CPCISQLKSA-N -2 3 396.234 2.132 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccoc2)c(F)cc1Br ZINC000740087839 600634136 /nfs/dbraw/zinc/63/41/36/600634136.db2.gz QHYRUJYPVFBXET-UHFFFAOYSA-N -2 3 378.175 2.358 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(N3CCCC3=O)ccc2Cl)c[nH]1 ZINC000509587959 600674664 /nfs/dbraw/zinc/67/46/64/600674664.db2.gz SYIPEZWTDKECEG-UHFFFAOYSA-N -2 3 383.813 2.294 20 0 GEADHL CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)o1 ZINC000545544877 600762628 /nfs/dbraw/zinc/76/26/28/600762628.db2.gz ZBDUOYPMKXFMNF-CQSZACIVSA-N -2 3 383.422 2.215 20 0 GEADHL Cc1ccc(C(=O)NCCC(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)c([O-])c1 ZINC000832911314 600763758 /nfs/dbraw/zinc/76/37/58/600763758.db2.gz CLTBBVMIJKVWKY-AWEZNQCLSA-N -2 3 382.416 2.426 20 0 GEADHL CC[C@]([N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1)(C(=O)OC)c1ccccc1 ZINC000828994140 600780877 /nfs/dbraw/zinc/78/08/77/600780877.db2.gz DWTSVCAUYDRACR-LJQANCHMSA-N -2 3 391.445 2.450 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCSC2)c(F)cc1Br ZINC000833303658 600785404 /nfs/dbraw/zinc/78/54/04/600785404.db2.gz SZXOKIPJHJYZAH-LURJTMIESA-N -2 3 384.248 2.070 20 0 GEADHL CCC(CC)([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C(=O)[O-] ZINC000828849164 600791518 /nfs/dbraw/zinc/79/15/18/600791518.db2.gz OFJPNTKMEHVBHF-UHFFFAOYSA-N -2 3 380.825 2.359 20 0 GEADHL O=C([O-])CCNC(=O)COC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000833237343 600868815 /nfs/dbraw/zinc/86/88/15/600868815.db2.gz RCXOVXJZDOFHSL-UHFFFAOYSA-N -2 3 377.780 2.460 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1NS(C)(=O)=O ZINC000506678080 600890195 /nfs/dbraw/zinc/89/01/95/600890195.db2.gz ZIUUENNBOXVSPN-UHFFFAOYSA-N -2 3 398.462 2.174 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2cccc(Cn3cccnc3=O)c2)ccc1C(=O)[O-] ZINC000506721220 600890243 /nfs/dbraw/zinc/89/02/43/600890243.db2.gz XLSZYXXKDFRIAN-UHFFFAOYSA-N -2 3 399.428 2.099 20 0 GEADHL COc1ccc([C@H](CC(=O)[O-])[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000013195904 601187251 /nfs/dbraw/zinc/18/72/51/601187251.db2.gz ZLCVORAGYQUTTK-ZDUSSCGKSA-N -2 3 380.378 2.098 20 0 GEADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccccc2)s1 ZINC000760100483 601211856 /nfs/dbraw/zinc/21/18/56/601211856.db2.gz QJTMWUDVTPWDOR-LLVKDONJSA-N -2 3 399.446 2.038 20 0 GEADHL CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)[C@H]2CCCO[C@H]21 ZINC000828051001 601238131 /nfs/dbraw/zinc/23/81/31/601238131.db2.gz SPSRTOYWNPNIOF-GFWSLJDESA-N -2 3 375.393 2.145 20 0 GEADHL CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C12CCC2 ZINC000829931373 601238443 /nfs/dbraw/zinc/23/84/43/601238443.db2.gz NVIBSWJXRAAXGC-RYUDHWBXSA-N -2 3 375.393 2.289 20 0 GEADHL CS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC000832720233 601322046 /nfs/dbraw/zinc/32/20/46/601322046.db2.gz NNWPQNZFKRAWMV-WTKPLQERSA-N -2 3 399.421 2.128 20 0 GEADHL COC(=O)/C=C\c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2C(=O)[O-])cc1 ZINC000758164909 601327607 /nfs/dbraw/zinc/32/76/07/601327607.db2.gz UXBMCSJOQPHTJM-YHYXMXQVSA-N -2 3 391.401 2.380 20 0 GEADHL COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)ccc1C ZINC000476399816 601333222 /nfs/dbraw/zinc/33/32/22/601333222.db2.gz VJZVHXVJNOJEAY-UHFFFAOYSA-N -2 3 379.390 2.289 20 0 GEADHL COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000484800512 601333459 /nfs/dbraw/zinc/33/34/59/601333459.db2.gz VUHHSWLWRUQOLK-UHFFFAOYSA-N -2 3 393.417 2.436 20 0 GEADHL CC(C)[C@@H]([N-]S(=O)(=O)CC1(CC(=O)[O-])CC1)c1nc(-c2ccncc2)no1 ZINC000826717058 601512529 /nfs/dbraw/zinc/51/25/29/601512529.db2.gz NNSLLWDQROHJSE-CQSZACIVSA-N -2 3 394.453 2.003 20 0 GEADHL O=C([O-])C[C@H]1CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CCO1 ZINC000833220320 601572032 /nfs/dbraw/zinc/57/20/32/601572032.db2.gz YLWDOADKMBSAIO-JTQLQIEISA-N -2 3 375.406 2.332 20 0 GEADHL Cc1nc(C[N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)nc2ccccc12 ZINC000832999085 601576233 /nfs/dbraw/zinc/57/62/33/601576233.db2.gz BVAMFUQJHSDXSB-UHFFFAOYSA-N -2 3 393.371 2.393 20 0 GEADHL CCc1n[n-]c(S(=O)(=O)Cc2csc(-c3cccc(C(=O)[O-])c3)n2)n1 ZINC000830335301 601604403 /nfs/dbraw/zinc/60/44/03/601604403.db2.gz MYGKDEKBWIQVQV-UHFFFAOYSA-N -2 3 378.435 2.163 20 0 GEADHL CCc1nnc(S(=O)(=O)Cc2csc(-c3cccc(C(=O)[O-])c3)n2)[n-]1 ZINC000830335301 601604404 /nfs/dbraw/zinc/60/44/04/601604404.db2.gz MYGKDEKBWIQVQV-UHFFFAOYSA-N -2 3 378.435 2.163 20 0 GEADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)ccc1F ZINC000831029369 601624979 /nfs/dbraw/zinc/62/49/79/601624979.db2.gz PYAHEWQXYUXHLE-UHFFFAOYSA-N -2 3 386.788 2.338 20 0 GEADHL CC[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl)C(=O)[O-] ZINC000769563136 601753860 /nfs/dbraw/zinc/75/38/60/601753860.db2.gz YBZAHKLMJKVWNA-LLVKDONJSA-N -2 3 395.264 2.027 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCCS2)c(F)cc1Br ZINC000833303370 601802343 /nfs/dbraw/zinc/80/23/43/601802343.db2.gz HVXMJWLJMAAETB-ZETCQYMHSA-N -2 3 398.275 2.460 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCc2ccccc2OC(F)(F)F)o1 ZINC000833323250 601802516 /nfs/dbraw/zinc/80/25/16/601802516.db2.gz MKEMNRNKBPSGGC-UHFFFAOYSA-N -2 3 379.312 2.397 20 0 GEADHL COCCOc1cccc([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)c1 ZINC000826163394 607533541 /nfs/dbraw/zinc/53/35/41/607533541.db2.gz SHLBHZIGRBSKIZ-UHFFFAOYSA-N -2 3 389.437 2.001 20 0 GEADHL COCCOc1cccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c1 ZINC000826163394 607533542 /nfs/dbraw/zinc/53/35/42/607533542.db2.gz SHLBHZIGRBSKIZ-UHFFFAOYSA-N -2 3 389.437 2.001 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2)c1-c1nnn[n-]1 ZINC000826303895 607534427 /nfs/dbraw/zinc/53/44/27/607534427.db2.gz LGVXCWYVGHMVQV-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2cnn(-c3ccccc3)c2)c1-c1nn[n-]n1 ZINC000826303895 607534429 /nfs/dbraw/zinc/53/44/29/607534429.db2.gz LGVXCWYVGHMVQV-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000824000178 607535107 /nfs/dbraw/zinc/53/51/07/607535107.db2.gz YHBCBXZMODZZRH-UHFFFAOYSA-N -2 3 386.437 2.243 20 0 GEADHL CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000824000178 607535108 /nfs/dbraw/zinc/53/51/08/607535108.db2.gz YHBCBXZMODZZRH-UHFFFAOYSA-N -2 3 386.437 2.243 20 0 GEADHL CCOC(=O)c1sc2[n-]c([C@@H](C)N3CC[C@@](C)(C(=O)[O-])C3)nc(=O)c2c1C ZINC000829901741 601948409 /nfs/dbraw/zinc/94/84/09/601948409.db2.gz QYXHKJNBULSXQJ-MLCYQJTMSA-N -2 3 393.465 2.327 20 0 GEADHL CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000739238770 602133169 /nfs/dbraw/zinc/13/31/69/602133169.db2.gz QXEJEHPPKDTOIO-QMTHXVAHSA-N -2 3 387.458 2.078 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccc(F)c(F)c2)c(Br)o1 ZINC000387300463 602147817 /nfs/dbraw/zinc/14/78/17/602147817.db2.gz MDYIEGZBQNCDFP-UHFFFAOYSA-N -2 3 396.165 2.497 20 0 GEADHL C[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)c1ccncc1 ZINC000827508306 602163575 /nfs/dbraw/zinc/16/35/75/602163575.db2.gz YEDGNLPSFOBPFJ-MRVPVSSYSA-N -2 3 389.227 2.217 20 0 GEADHL CCc1cc(=O)[n-]c(CN2CCc3cc(OC)c(OC)cc3[C@H]2CC(=O)[O-])n1 ZINC000566362495 602232783 /nfs/dbraw/zinc/23/27/83/602232783.db2.gz SPZMXLJWKYQOEX-OAHLLOKOSA-N -2 3 387.436 2.336 20 0 GEADHL Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H]2CCCN2C(=O)[O-])s1 ZINC000829899567 603116455 /nfs/dbraw/zinc/11/64/55/603116455.db2.gz IUGJEGZDULPDJB-MRVPVSSYSA-N -2 3 383.289 2.240 20 0 GEADHL CN(CCCC(=O)Nc1cc(I)ccc1[O-])C(=O)[O-] ZINC000828284710 603885894 /nfs/dbraw/zinc/88/58/94/603885894.db2.gz DZNWLGYXJTZMLW-UHFFFAOYSA-N -2 3 378.166 2.325 20 0 GEADHL CC1(C)CCCC[C@H]1CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824802737 607776362 /nfs/dbraw/zinc/77/63/62/607776362.db2.gz PJOHKZLMCRQBBO-ZDUSSCGKSA-N -2 3 377.470 2.278 20 0 GEADHL CC1(C)CCCC[C@H]1CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824802737 607776363 /nfs/dbraw/zinc/77/63/63/607776363.db2.gz PJOHKZLMCRQBBO-ZDUSSCGKSA-N -2 3 377.470 2.278 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2CCOC3(CCCC3)C2)c1F ZINC000833295393 604661805 /nfs/dbraw/zinc/66/18/05/604661805.db2.gz UJMJNTKPTHVRCQ-SNVBAGLBSA-N -2 3 375.393 2.433 20 0 GEADHL C[C@@]1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Br)cc2F)CCCOC1 ZINC000833569281 604903846 /nfs/dbraw/zinc/90/38/46/604903846.db2.gz LHERJBVBAKBNCL-CYBMUJFWSA-N -2 3 396.234 2.134 20 0 GEADHL C[C@H](Sc1ccccc1C(=O)NCCNC(=O)c1ccc([O-])cc1)C(=O)[O-] ZINC000827916895 604914417 /nfs/dbraw/zinc/91/44/17/604914417.db2.gz WBAGLAZBUNYDSM-LBPRGKRZSA-N -2 3 388.445 2.117 20 0 GEADHL CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000833415948 605001934 /nfs/dbraw/zinc/00/19/34/605001934.db2.gz SKXRRSQJTKCJQK-HOCLYGCPSA-N -2 3 388.464 2.346 20 0 GEADHL CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)[O-])nc2)ccc1F ZINC000833430430 605253719 /nfs/dbraw/zinc/25/37/19/605253719.db2.gz CDZWDAAJNXXUPR-UHFFFAOYSA-N -2 3 395.412 2.248 20 0 GEADHL CC(C)(C)c1ccc(OCC[N-]S(=O)(=O)c2scnc2C(=O)[O-])cc1 ZINC000833449025 605301692 /nfs/dbraw/zinc/30/16/92/605301692.db2.gz MMXIXWYSKLWRDS-UHFFFAOYSA-N -2 3 384.479 2.496 20 0 GEADHL C[C@H]1OCC[C@]1(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000833633264 605412372 /nfs/dbraw/zinc/41/23/72/605412372.db2.gz DGVCWADVMYOTMS-UHLUBPPHSA-N -2 3 396.234 2.132 20 0 GEADHL CCc1cnccc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000833673830 605444805 /nfs/dbraw/zinc/44/48/05/605444805.db2.gz OCWHZQCKBJMFJE-UHFFFAOYSA-N -2 3 389.227 2.176 20 0 GEADHL O=C([O-])Nc1ccccc1CC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000834270864 606069728 /nfs/dbraw/zinc/06/97/28/606069728.db2.gz MNGRKDFUOSRXAI-UHFFFAOYSA-N -2 3 383.404 2.009 20 0 GEADHL Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)cn1 ZINC000822230992 606180876 /nfs/dbraw/zinc/18/08/76/606180876.db2.gz XFURTWOWTNEBJG-UHFFFAOYSA-N -2 3 384.343 2.390 20 0 GEADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1ccc(C(F)(F)F)cc1 ZINC000823583535 606338010 /nfs/dbraw/zinc/33/80/10/606338010.db2.gz SMWCVLCHWZUTAC-UHFFFAOYSA-N -2 3 385.327 2.392 20 0 GEADHL COc1ccccc1-c1cc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n[nH]1 ZINC000821877588 606435038 /nfs/dbraw/zinc/43/50/38/606435038.db2.gz MUINPDRTLMWAOX-UHFFFAOYSA-N -2 3 397.420 2.066 20 0 GEADHL CSc1ccc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nnn[n-]2)cc1 ZINC000821984852 606709379 /nfs/dbraw/zinc/70/93/79/606709379.db2.gz VDFVVYHQDIDBDK-UHFFFAOYSA-N -2 3 393.498 2.341 20 0 GEADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000821588476 606751064 /nfs/dbraw/zinc/75/10/64/606751064.db2.gz VABBYSJQAJRHGQ-UHFFFAOYSA-N -2 3 380.380 2.012 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2-c2nn[n-]n2)c(F)c1 ZINC000822267081 606751207 /nfs/dbraw/zinc/75/12/07/606751207.db2.gz NZPSGQHHTMTBAN-UHFFFAOYSA-N -2 3 376.417 2.181 20 0 GEADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2cc3ccccc3o2)c1 ZINC000821589565 606820397 /nfs/dbraw/zinc/82/03/97/606820397.db2.gz TXAKIOQQBSVYAA-UHFFFAOYSA-N -2 3 384.421 2.480 20 0 GEADHL O=S(=O)([N-]Cc1ccc(Cl)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823577894 606883500 /nfs/dbraw/zinc/88/35/00/606883500.db2.gz CJORJZPCIDYGCY-UHFFFAOYSA-N -2 3 385.783 2.277 20 0 GEADHL O=S(=O)([N-]Cc1cc2ccccc2[nH]1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823578898 606889754 /nfs/dbraw/zinc/88/97/54/606889754.db2.gz VTNZCJSBRSCPOC-UHFFFAOYSA-N -2 3 390.375 2.105 20 0 GEADHL CCC[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccn1 ZINC000821023117 606890416 /nfs/dbraw/zinc/89/04/16/606890416.db2.gz WVKAVTNFXUGLHH-AWEZNQCLSA-N -2 3 394.407 2.360 20 0 GEADHL Cc1ccn(-c2ccccc2[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000822369164 607035200 /nfs/dbraw/zinc/03/52/00/607035200.db2.gz BXGQUCCGLVBXAB-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL Cc1cc(Cl)ccc1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822202257 607078670 /nfs/dbraw/zinc/07/86/70/607078670.db2.gz SMFMXNHTXBYOCA-UHFFFAOYSA-N -2 3 391.840 2.088 20 0 GEADHL Cc1cc(Cl)ccc1C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822202257 607078672 /nfs/dbraw/zinc/07/86/72/607078672.db2.gz SMFMXNHTXBYOCA-UHFFFAOYSA-N -2 3 391.840 2.088 20 0 GEADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000820542172 607110521 /nfs/dbraw/zinc/11/05/21/607110521.db2.gz LROZBKUUKVYBAI-GFCCVEGCSA-N -2 3 381.392 2.290 20 0 GEADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000820542172 607110522 /nfs/dbraw/zinc/11/05/22/607110522.db2.gz LROZBKUUKVYBAI-GFCCVEGCSA-N -2 3 381.392 2.290 20 0 GEADHL O=S(=O)([N-]c1nnc(-c2ccsc2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000823589012 607153081 /nfs/dbraw/zinc/15/30/81/607153081.db2.gz HWRWHEJCUMJMIO-UHFFFAOYSA-N -2 3 391.463 2.248 20 0 GEADHL O=S(=O)([N-]c1nnc(-c2ccsc2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000823589012 607153082 /nfs/dbraw/zinc/15/30/82/607153082.db2.gz HWRWHEJCUMJMIO-UHFFFAOYSA-N -2 3 391.463 2.248 20 0 GEADHL Cc1ccc(Cl)cc1C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000826289224 607806675 /nfs/dbraw/zinc/80/66/75/607806675.db2.gz QRSGODVPHUQASY-UHFFFAOYSA-N -2 3 391.840 2.256 20 0 GEADHL Cc1ccc(Cl)cc1C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000826289224 607806676 /nfs/dbraw/zinc/80/66/76/607806676.db2.gz QRSGODVPHUQASY-UHFFFAOYSA-N -2 3 391.840 2.256 20 0 GEADHL CC(C)Oc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000824324374 607816739 /nfs/dbraw/zinc/81/67/39/607816739.db2.gz MTLXTNLWBVBCIO-UHFFFAOYSA-N -2 3 391.457 2.232 20 0 GEADHL O=C([N-]c1nc(-c2cccnc2)ns1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826460357 607928367 /nfs/dbraw/zinc/92/83/67/607928367.db2.gz ZDMIPYFPFRXGCI-UHFFFAOYSA-N -2 3 386.347 2.311 20 0 GEADHL O=S(=O)([N-]c1ccc(Oc2cccnc2)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826493165 608018337 /nfs/dbraw/zinc/01/83/37/608018337.db2.gz WTDMRBILIYACNA-UHFFFAOYSA-N -2 3 395.404 2.250 20 0 GEADHL O=S(=O)([N-]c1ccc(Oc2cccnc2)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826492939 608018460 /nfs/dbraw/zinc/01/84/60/608018460.db2.gz MIOODTOJPKEGRR-UHFFFAOYSA-N -2 3 395.404 2.250 20 0 GEADHL CC(C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)=C1CCCC1 ZINC000824045123 608246718 /nfs/dbraw/zinc/24/67/18/608246718.db2.gz GSHZGTCMEIXKNP-UHFFFAOYSA-N -2 3 381.845 2.216 20 0 GEADHL CC(C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)=C1CCCC1 ZINC000824045123 608246719 /nfs/dbraw/zinc/24/67/19/608246719.db2.gz GSHZGTCMEIXKNP-UHFFFAOYSA-N -2 3 381.845 2.216 20 0 GEADHL Cc1cccc(Oc2ccc(S(=O)(=O)[N-]c3n[nH]cc3-c3nnn[n-]3)cc2)c1 ZINC000826300639 608307148 /nfs/dbraw/zinc/30/71/48/608307148.db2.gz CEUCYLPFHGONTF-UHFFFAOYSA-N -2 3 397.420 2.491 20 0 GEADHL COc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826209034 608528448 /nfs/dbraw/zinc/52/84/48/608528448.db2.gz KBASPNPOGFXUNC-UHFFFAOYSA-N -2 3 383.792 2.469 20 0 GEADHL COc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826209034 608528450 /nfs/dbraw/zinc/52/84/50/608528450.db2.gz KBASPNPOGFXUNC-UHFFFAOYSA-N -2 3 383.792 2.469 20 0 GEADHL Cn1nc(C2CCCC2)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826366147 609383592 /nfs/dbraw/zinc/38/35/92/609383592.db2.gz VGLYEMUSFJDYGD-UHFFFAOYSA-N -2 3 391.432 2.198 20 0 GEADHL Cn1nc(C2CCCC2)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826366147 609383594 /nfs/dbraw/zinc/38/35/94/609383594.db2.gz VGLYEMUSFJDYGD-UHFFFAOYSA-N -2 3 391.432 2.198 20 0 GEADHL CC(C)S(=O)(=O)[N-]C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824338042 609384577 /nfs/dbraw/zinc/38/45/77/609384577.db2.gz NYIMMOORKUNDHF-UHFFFAOYSA-N -2 3 387.421 2.127 20 0 GEADHL CC(C)S(=O)(=O)[N-]C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824338042 609384580 /nfs/dbraw/zinc/38/45/80/609384580.db2.gz NYIMMOORKUNDHF-UHFFFAOYSA-N -2 3 387.421 2.127 20 0 GEADHL CC(C)CN1Cc2cccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)c2C1 ZINC000824267001 609447344 /nfs/dbraw/zinc/44/73/44/609447344.db2.gz WAOJXHWXEKRYCL-UHFFFAOYSA-N -2 3 399.480 2.034 20 0 GEADHL CC(C)CN1Cc2cccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)c2C1 ZINC000824267001 609447346 /nfs/dbraw/zinc/44/73/46/609447346.db2.gz WAOJXHWXEKRYCL-UHFFFAOYSA-N -2 3 399.480 2.034 20 0 GEADHL O=S(=O)([N-]c1cccc2c1OCO2)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826492811 609458138 /nfs/dbraw/zinc/45/81/38/609458138.db2.gz FMXSEQJFPRAFNR-UHFFFAOYSA-N -2 3 379.785 2.050 20 0 GEADHL O=S(=O)([N-]c1cccc2c1OCO2)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826492811 609458141 /nfs/dbraw/zinc/45/81/41/609458141.db2.gz FMXSEQJFPRAFNR-UHFFFAOYSA-N -2 3 379.785 2.050 20 0 GEADHL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1C ZINC000826278937 609467493 /nfs/dbraw/zinc/46/74/93/609467493.db2.gz ZJXZJSFJTGHSMZ-UHFFFAOYSA-N -2 3 389.485 2.445 20 0 GEADHL CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000824024468 609467578 /nfs/dbraw/zinc/46/75/78/609467578.db2.gz GCZVJIWUNLYPKA-UHFFFAOYSA-N -2 3 375.385 2.318 20 0 GEADHL CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000824024468 609467580 /nfs/dbraw/zinc/46/75/80/609467580.db2.gz GCZVJIWUNLYPKA-UHFFFAOYSA-N -2 3 375.385 2.318 20 0 GEADHL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826334404 609468121 /nfs/dbraw/zinc/46/81/21/609468121.db2.gz TYWJORKXSBDNFM-UHFFFAOYSA-N -2 3 393.448 2.276 20 0 GEADHL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826334404 609468122 /nfs/dbraw/zinc/46/81/22/609468122.db2.gz TYWJORKXSBDNFM-UHFFFAOYSA-N -2 3 393.448 2.276 20 0 GEADHL CC(C)Oc1c(F)cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1F ZINC000824314540 609469034 /nfs/dbraw/zinc/46/90/34/609469034.db2.gz DUMKAYPZSBRQRE-UHFFFAOYSA-N -2 3 396.379 2.128 20 0 GEADHL CC(C)Oc1c(F)cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1F ZINC000824314540 609469035 /nfs/dbraw/zinc/46/90/35/609469035.db2.gz DUMKAYPZSBRQRE-UHFFFAOYSA-N -2 3 396.379 2.128 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)nn1[C@H](C)C1CC1 ZINC000826280154 609469439 /nfs/dbraw/zinc/46/94/39/609469439.db2.gz PJVPIOFBAIVLPS-GFCCVEGCSA-N -2 3 387.469 2.452 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)nn1[C@H](C)C1CC1 ZINC000826280154 609469441 /nfs/dbraw/zinc/46/94/41/609469441.db2.gz PJVPIOFBAIVLPS-GFCCVEGCSA-N -2 3 387.469 2.452 20 0 GEADHL COC(=O)Cc1nnc([N-]S(=O)(=O)c2csc3ccc(Cl)cc23)[n-]1 ZINC000460536248 650443275 /nfs/dbraw/zinc/44/32/75/650443275.db2.gz YBFXFSXLEMDQLP-UHFFFAOYSA-N -2 3 386.842 2.189 20 0 GEADHL CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)ccc2[N-]S(C)(=O)=O)cc1 ZINC000460828011 650446217 /nfs/dbraw/zinc/44/62/17/650446217.db2.gz FEPVKQSRIAWQOB-UHFFFAOYSA-N -2 3 382.463 2.370 20 0 GEADHL COc1ccc(F)cc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000507011719 650453212 /nfs/dbraw/zinc/45/32/12/650453212.db2.gz CPIDPYUUHFMWRO-UHFFFAOYSA-N -2 3 392.405 2.146 20 0 GEADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](CCC(C)(C)C)C(=O)[O-])s1 ZINC000485027010 650692277 /nfs/dbraw/zinc/69/22/77/650692277.db2.gz SAISYMLTVZGYFX-VIFPVBQESA-N -2 3 393.483 2.101 20 0 GEADHL CC(C)(C)CC[C@@H]([N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000485079138 650692874 /nfs/dbraw/zinc/69/28/74/650692874.db2.gz XRCDRPYCEXMZBN-SNVBAGLBSA-N -2 3 379.276 2.402 20 0 GEADHL Cc1cnc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC(F)(F)F)o1 ZINC000486027166 650705596 /nfs/dbraw/zinc/70/55/96/650705596.db2.gz HXNFTPNLOUASEU-UHFFFAOYSA-N -2 3 380.300 2.058 20 0 GEADHL Cc1cc(C(=O)Nc2ccc(Br)cc2[O-])[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000531049416 650733889 /nfs/dbraw/zinc/73/38/89/650733889.db2.gz JEPBXKHRWKVSEX-UHFFFAOYSA-N -3 3 391.181 2.465 20 0 GEADHL O=C([O-])C1(CNC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCC1 ZINC000531751392 650743762 /nfs/dbraw/zinc/74/37/62/650743762.db2.gz HUQQHPRQPMUELZ-UHFFFAOYSA-N -2 3 379.210 2.275 20 0 GEADHL O=C([O-])CNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1 ZINC000024101787 642416030 /nfs/dbraw/zinc/41/60/30/642416030.db2.gz RMXVGHOPLGGLQC-UHFFFAOYSA-N -2 3 386.788 2.094 20 0 GEADHL O=C(CCOc1ccccc1)[N-][N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000041780455 642532891 /nfs/dbraw/zinc/53/28/91/642532891.db2.gz LUHZBKNFNYPDNI-UHFFFAOYSA-N -2 3 399.266 2.228 20 0 GEADHL O=C(CCOc1ccccc1)[N-][N-]S(=O)(=O)c1cccc(Br)c1 ZINC000060838676 642838654 /nfs/dbraw/zinc/83/86/54/642838654.db2.gz RHPOQXUKMDCPGF-UHFFFAOYSA-N -2 3 399.266 2.228 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2nccn2C(F)F)cc(F)c1Cl ZINC000184971278 645029855 /nfs/dbraw/zinc/02/98/55/645029855.db2.gz HVDPBTVSFTWCOS-UHFFFAOYSA-N -2 3 383.735 2.247 20 0 GEADHL CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC)C(=O)[O-] ZINC000547609132 651039043 /nfs/dbraw/zinc/03/90/43/651039043.db2.gz OHBCNJDMBKJJEK-ZJUUUORDSA-N -2 3 393.483 2.101 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(C)c2C)s1 ZINC000547639622 651040312 /nfs/dbraw/zinc/04/03/12/651040312.db2.gz JLQPQORQYDVOFL-CQSZACIVSA-N -2 3 383.447 2.256 20 0 GEADHL O=C([O-])[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000547881649 651050774 /nfs/dbraw/zinc/05/07/74/651050774.db2.gz KGDVKJDQIPTFEF-LDYMZIIASA-N -2 3 385.335 2.003 20 0 GEADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C(C)C ZINC000547941692 651057892 /nfs/dbraw/zinc/05/78/92/651057892.db2.gz ZIOBSBXBMMOJIR-MRVPVSSYSA-N -2 3 398.250 2.232 20 0 GEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(C)c2C)c1 ZINC000547964973 651058962 /nfs/dbraw/zinc/05/89/62/651058962.db2.gz VNFPIDYSMDXCSF-CQSZACIVSA-N -2 3 383.447 2.256 20 0 GEADHL CCO[C@H]1C[C@]([N-]S(=O)(=O)c2cc(F)ccc2Cl)(C(=O)[O-])C1(C)C ZINC000275824043 646361316 /nfs/dbraw/zinc/36/13/16/646361316.db2.gz ZHRUGOBSQWYTNC-WFASDCNBSA-N -2 3 379.837 2.416 20 0 GEADHL COC(=O)c1sc(S(=O)(=O)[N-][C@@H](C)CCCC(=O)[O-])c(C)c1Cl ZINC000278700536 646540790 /nfs/dbraw/zinc/54/07/90/646540790.db2.gz NHOOITYCXHZQIR-ZETCQYMHSA-N -2 3 383.875 2.418 20 0 GEADHL C[C@H](C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)CC(F)(F)F ZINC000416610680 648186845 /nfs/dbraw/zinc/18/68/45/648186845.db2.gz XEPDPSFMCMPZNI-QMMMGPOBSA-N -2 3 392.396 2.064 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)c(F)c1 ZINC000424210766 648618638 /nfs/dbraw/zinc/61/86/38/648618638.db2.gz FKGGTHTZSYMBFL-QMMMGPOBSA-N -2 3 392.396 2.207 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)c1c(F)cccc1F ZINC000548268607 651075232 /nfs/dbraw/zinc/07/52/32/651075232.db2.gz SUOUOHFNQQKXEY-ZDUSSCGKSA-N -2 3 385.373 2.074 20 0 GEADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000548526730 651079148 /nfs/dbraw/zinc/07/91/48/651079148.db2.gz UKXBHKKJLUBULY-NSHDSACASA-N -2 3 389.227 2.158 20 0 GEADHL CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Cl ZINC000548546962 651079807 /nfs/dbraw/zinc/07/98/07/651079807.db2.gz ATLGYFXEVCCCBZ-UHFFFAOYSA-N -2 3 389.838 2.243 20 0 GEADHL Cc1ncc(S(=O)(=O)[N-][C@@H](CSCCc2ccccc2)C(=O)[O-])s1 ZINC000548566059 651080469 /nfs/dbraw/zinc/08/04/69/651080469.db2.gz WLLMKDPUHDAMLT-ZDUSSCGKSA-N -2 3 386.520 2.159 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cn(CC(C)C)nc2C(F)F)c[n-]1 ZINC000551354858 651122832 /nfs/dbraw/zinc/12/28/32/651122832.db2.gz BSEMOVYYVDXYJU-UHFFFAOYSA-N -2 3 376.385 2.392 20 0 GEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(Cl)cc3c2OCC(=O)N3)c1 ZINC000554686656 651210280 /nfs/dbraw/zinc/21/02/80/651210280.db2.gz SUOVTLNMHJEOCT-UHFFFAOYSA-N -2 3 384.797 2.186 20 0 GEADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(F)F ZINC000554787082 651213195 /nfs/dbraw/zinc/21/31/95/651213195.db2.gz WQQQBYAZLOLKDT-ZCFIWIBFSA-N -2 3 379.278 2.479 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)[C@H]1CCOC1 ZINC000560417863 651309056 /nfs/dbraw/zinc/30/90/56/651309056.db2.gz IKFZZFQNPIQFLG-CPCISQLKSA-N -2 3 387.763 2.127 20 0 GEADHL O=C([O-])c1nscc1S(=O)(=O)[N-]CC[C@H]1CSc2ccccc2O1 ZINC000646057989 651677730 /nfs/dbraw/zinc/67/77/30/651677730.db2.gz VEQYZDAGFKKTNU-VIFPVBQESA-N -2 3 386.476 2.063 20 0 GEADHL O=C([O-])[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000738519830 651897112 /nfs/dbraw/zinc/89/71/12/651897112.db2.gz FHMUODQBTIOAGC-SNVBAGLBSA-N -2 3 375.233 2.363 20 0 GEADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000573202823 651941198 /nfs/dbraw/zinc/94/11/98/651941198.db2.gz JCDQLSKGJBGZBX-DGCLKSJQSA-N -2 3 382.463 2.288 20 0 GEADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C(C)(C)CC(=O)[O-] ZINC000573897721 651986535 /nfs/dbraw/zinc/98/65/35/651986535.db2.gz BWZYXZPHLIBCIL-UHFFFAOYSA-N -2 3 384.223 2.128 20 0 GEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000575151056 652065461 /nfs/dbraw/zinc/06/54/61/652065461.db2.gz GOBHVUIKCGUGTF-OLZOCXBDSA-N -2 3 381.431 2.126 20 0 GEADHL O=C([O-])c1ccc(Br)cc1[N-]S(=O)(=O)CCOC(F)(F)F ZINC000576915511 652153518 /nfs/dbraw/zinc/15/35/18/652153518.db2.gz UIMUIEIZGFYXLN-UHFFFAOYSA-N -2 3 392.149 2.425 20 0 GEADHL C[C@H]1CCCc2nc(S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F)cn21 ZINC000578050099 652239487 /nfs/dbraw/zinc/23/94/87/652239487.db2.gz ZZCDXTWQVWPHHS-VHSXEESVSA-N -2 3 383.392 2.102 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2nc(C3CC3)cs2)c(F)c1 ZINC000580634316 652386316 /nfs/dbraw/zinc/38/63/16/652386316.db2.gz FLWWSYVYDUWROK-UHFFFAOYSA-N -2 3 391.471 2.332 20 0 GEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000584409134 652520172 /nfs/dbraw/zinc/52/01/72/652520172.db2.gz MATYLHQLGABBHL-AAEUAGOBSA-N -2 3 382.463 2.288 20 0 GEADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)c1ccc(SC)cc1 ZINC000585733154 652535407 /nfs/dbraw/zinc/53/54/07/652535407.db2.gz JHSQZHINRYCTAG-UHFFFAOYSA-N -2 3 384.435 2.111 20 0 GEADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000765990184 652861957 /nfs/dbraw/zinc/86/19/57/652861957.db2.gz RWEXISVFTVVIFN-UHFFFAOYSA-N -2 3 381.797 2.281 20 0 GEADHL CCO[C@@H](CS(=O)(=O)[N-]c1cc(Cl)cc(C(=O)OC)c1[O-])C1CC1 ZINC000600653822 652924943 /nfs/dbraw/zinc/92/49/43/652924943.db2.gz OHRJZQCFHAHMHB-ZDUSSCGKSA-N -2 3 377.846 2.389 20 0 GEADHL COc1cccc(C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2F)C(=O)[O-])c1 ZINC000681561545 653185833 /nfs/dbraw/zinc/18/58/33/653185833.db2.gz QHUVNJOBFLPSEZ-AWEZNQCLSA-N -2 3 387.816 2.462 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)C1CC(C(=O)[O-])C1 ZINC000682702315 653221918 /nfs/dbraw/zinc/22/19/18/653221918.db2.gz FFTPHMANTGKWDZ-UHFFFAOYSA-N -2 3 380.344 2.126 20 0 GEADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000685915597 653317713 /nfs/dbraw/zinc/31/77/13/653317713.db2.gz GBMMLOKLFCHBMT-UHFFFAOYSA-N -2 3 396.824 2.327 20 0 GEADHL Cn1cc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])c2ccc(Cl)cc2)nc1Cl ZINC000776538921 653355684 /nfs/dbraw/zinc/35/56/84/653355684.db2.gz TUJZBBNFYYJDOC-JTQLQIEISA-N -2 3 392.264 2.264 20 0 GEADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)c1 ZINC000776549784 653356749 /nfs/dbraw/zinc/35/67/49/653356749.db2.gz HHAGUZBCHZTOHY-NSHDSACASA-N -2 3 375.418 2.028 20 0 GEADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C ZINC000776570617 653359675 /nfs/dbraw/zinc/35/96/75/653359675.db2.gz DZYWMULFFMWFFH-JTQLQIEISA-N -2 3 398.250 2.374 20 0 GEADHL CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)ccc1F)C(=O)[O-] ZINC000776583475 653361401 /nfs/dbraw/zinc/36/14/01/653361401.db2.gz IDANUONFQAZNFO-ZWNOBZJWSA-N -2 3 375.418 2.170 20 0 GEADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000776603297 653363672 /nfs/dbraw/zinc/36/36/72/653363672.db2.gz KPOPRDMKKGCWDZ-SNVBAGLBSA-N -2 3 396.227 2.279 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCCC2CCOCC2)c(Br)o1 ZINC000840890251 653697762 /nfs/dbraw/zinc/69/77/62/653697762.db2.gz KKKCSIPOHLPSMR-UHFFFAOYSA-N -2 3 396.259 2.225 20 0 GEADHL CO[C@H]([C@H](C)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br)C1CC1 ZINC000840894603 653698774 /nfs/dbraw/zinc/69/87/74/653698774.db2.gz CVNYABNJIYPRHH-QUBYGPBYSA-N -2 3 398.300 2.301 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cccc(CCC(=O)[O-])c2)s1 ZINC000863419753 653711540 /nfs/dbraw/zinc/71/15/40/653711540.db2.gz GCMKZKSVSAQRFZ-UHFFFAOYSA-N -2 3 383.447 2.030 20 0 GEADHL O=C([O-])[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000843295752 653784041 /nfs/dbraw/zinc/78/40/41/653784041.db2.gz NCUODRZBZNLCTD-SCZZXKLOSA-N -2 3 397.678 2.419 20 0 GEADHL COC1(C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)C(=O)[O-])CCC1 ZINC000844826303 653821087 /nfs/dbraw/zinc/82/10/87/653821087.db2.gz QVIOWXMNILHPJH-MRVPVSSYSA-N -2 3 383.253 2.079 20 0 GEADHL C[C@@H](CO[C@@H]1CCOC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000844898711 653827740 /nfs/dbraw/zinc/82/77/40/653827740.db2.gz LVPOUMWLTXSJSZ-WCBMZHEXSA-N -2 3 398.264 2.164 20 0 GEADHL COC[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000846767875 653909281 /nfs/dbraw/zinc/90/92/81/653909281.db2.gz PYHMQXOSPDPCPE-QMMMGPOBSA-N -2 3 398.275 2.470 20 0 GEADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](C)CCCCC(=O)[O-])c1 ZINC000794763175 653919421 /nfs/dbraw/zinc/91/94/21/653919421.db2.gz XUGSRKQHOFHCTD-LLVKDONJSA-N -2 3 375.418 2.314 20 0 GEADHL O=C(c1cccc(I)c1[O-])N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898217177 653958627 /nfs/dbraw/zinc/95/86/27/653958627.db2.gz FJZMZFZVUVTGDH-QMMMGPOBSA-N -2 3 399.188 2.055 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)c(Br)o1 ZINC000797406716 654030193 /nfs/dbraw/zinc/03/01/93/654030193.db2.gz IYERVUYRAPWURX-LURJTMIESA-N -2 3 388.186 2.454 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]C2CC(CC(=O)[O-])C2)c(F)cc1Br ZINC000899932074 654039096 /nfs/dbraw/zinc/03/90/96/654039096.db2.gz ZZBRVXKANHICMA-UHFFFAOYSA-N -2 3 380.235 2.428 20 0 GEADHL C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2cc([O-])cc(Br)c2)C1 ZINC000830790421 654142607 /nfs/dbraw/zinc/14/26/07/654142607.db2.gz UPWGADZRCUETSG-CYBMUJFWSA-N -2 3 395.175 2.438 20 0 GEADHL C[C@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC[C@@H]1C(=O)[O-] ZINC000902170378 654166742 /nfs/dbraw/zinc/16/67/42/654166742.db2.gz TWGAYDUMTXIWAC-ONGXEEELSA-N -2 3 393.237 2.473 20 0 GEADHL C[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000871917402 654276538 /nfs/dbraw/zinc/27/65/38/654276538.db2.gz JZFGVKAOKYTHEC-HTQZYQBOSA-N -2 3 398.300 2.302 20 0 GEADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCO[C@H]2C2CC2)s1 ZINC000903877474 654288735 /nfs/dbraw/zinc/28/87/35/654288735.db2.gz AQJRFRSJQCCIQT-SCZZXKLOSA-N -2 3 396.284 2.055 20 0 GEADHL COC(C)(C)[C@@H](C)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000903887157 654290026 /nfs/dbraw/zinc/29/00/26/654290026.db2.gz ZLYNILMDTDWSJL-ZCFIWIBFSA-N -2 3 386.289 2.301 20 0 GEADHL CO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000871968394 654294836 /nfs/dbraw/zinc/29/48/36/654294836.db2.gz HQKKCTQQXYTMCE-HTQZYQBOSA-N -2 3 384.273 2.055 20 0 GEADHL COC1([C@H](C)[N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)CCC1 ZINC000871974472 654297237 /nfs/dbraw/zinc/29/72/37/654297237.db2.gz GQHILSKMPMCJCT-ZETCQYMHSA-N -2 3 398.300 2.445 20 0 GEADHL CC1(C)OCC[C@@H]1C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000871989375 654302718 /nfs/dbraw/zinc/30/27/18/654302718.db2.gz MNOITMUXTRSCNT-SSDOTTSWSA-N -2 3 398.300 2.302 20 0 GEADHL O=C([O-])[C@@H]1CC=C[C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)C1 ZINC000906000343 654398389 /nfs/dbraw/zinc/39/83/89/654398389.db2.gz ILNUUSIBUJUGLG-HTQZYQBOSA-N -2 3 395.662 2.195 20 0 GEADHL CSC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000906005017 654400034 /nfs/dbraw/zinc/40/00/34/654400034.db2.gz MFXCTBYTIQYUDB-QMMMGPOBSA-N -2 3 377.793 2.453 20 0 GEADHL CSC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000906005802 654400225 /nfs/dbraw/zinc/40/02/25/654400225.db2.gz VOIYRQUCYIIOPR-QMMMGPOBSA-N -2 3 377.793 2.453 20 0 GEADHL CCCN(C(=O)NCc1ccc([O-])c(Br)c1)[C@H](COC)C(=O)[O-] ZINC000909160330 654654314 /nfs/dbraw/zinc/65/43/14/654654314.db2.gz ZBLQAFSUWAQBOI-GFCCVEGCSA-N -2 3 389.246 2.176 20 0 GEADHL O=S(=O)([N-]c1cccc(-c2nnn[n-]2)c1)c1ccccc1Br ZINC000007709245 531543078 /nfs/dbraw/zinc/54/30/78/531543078.db2.gz HOMSIKLZEIMPBZ-UHFFFAOYSA-N -2 3 380.227 2.430 20 0 GEADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1ccccc1Br ZINC000007709245 531543085 /nfs/dbraw/zinc/54/30/85/531543085.db2.gz HOMSIKLZEIMPBZ-UHFFFAOYSA-N -2 3 380.227 2.430 20 0 GEADHL COc1ccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)cc1[N-]S(C)(=O)=O ZINC000055582868 531796034 /nfs/dbraw/zinc/79/60/34/531796034.db2.gz BAOIITJXWJJFDC-UHFFFAOYSA-N -2 3 388.442 2.315 20 0 GEADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2[N-]S(C)(=O)=O)cc1C ZINC000055586696 531796158 /nfs/dbraw/zinc/79/61/58/531796158.db2.gz FHUXFWUGVHWMOF-UHFFFAOYSA-N -2 3 384.479 2.484 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)c(F)c1 ZINC000067124766 531876085 /nfs/dbraw/zinc/87/60/85/531876085.db2.gz JUFMSKQEEXWPBA-UHFFFAOYSA-N -2 3 380.369 2.276 20 0 GEADHL CC(C)(CC[N-]S(=O)(=O)c1cncc(Br)c1)CCC(=O)[O-] ZINC000115729807 531958823 /nfs/dbraw/zinc/95/88/23/531958823.db2.gz OKHMPZIRUWOZAV-UHFFFAOYSA-N -2 3 379.276 2.404 20 0 GEADHL CS(=O)(=O)c1nc([N-]C(=O)c2csc(-c3cccc(Cl)c3)n2)n[n-]1 ZINC000129218923 532174999 /nfs/dbraw/zinc/17/49/99/532174999.db2.gz HRGVEMYWZLKLPQ-UHFFFAOYSA-N -2 3 383.842 2.237 20 0 GEADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)[C@H](C)C(=O)[O-] ZINC000133172748 532228883 /nfs/dbraw/zinc/22/88/83/532228883.db2.gz PSACIRDUOHPWFV-DTWKUNHWSA-N -2 3 380.260 2.235 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)ccc1F ZINC000135344908 532271236 /nfs/dbraw/zinc/27/12/36/532271236.db2.gz OKSOMVWCDCHGAB-UHFFFAOYSA-N -2 3 376.406 2.446 20 0 GEADHL C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000135571553 532275904 /nfs/dbraw/zinc/27/59/04/532275904.db2.gz WFXAFLHNEBATFU-DGCLKSJQSA-N -2 3 377.260 2.156 20 0 GEADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@H](C)CC(=O)[O-] ZINC000147258013 532299224 /nfs/dbraw/zinc/29/92/24/532299224.db2.gz IGSZNOAFUZURBX-SECBINFHSA-N -2 3 380.260 2.237 20 0 GEADHL CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1)c1ccco1 ZINC000184870867 532335086 /nfs/dbraw/zinc/33/50/86/532335086.db2.gz MBNBMGSVUNEWJW-LBPRGKRZSA-N -2 3 390.820 2.352 20 0 GEADHL Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](c2cccs2)N(C)C)cc1C(=O)[O-] ZINC000184873133 532335121 /nfs/dbraw/zinc/33/51/21/532335121.db2.gz JVSMOBGTGWQMOA-CYBMUJFWSA-N -2 3 386.470 2.475 20 0 GEADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]C[C@H](c2cccs2)N(C)C)c1 ZINC000184873716 532335332 /nfs/dbraw/zinc/33/53/32/532335332.db2.gz UUDWHQBANBQYKT-GFCCVEGCSA-N -2 3 386.470 2.475 20 0 GEADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2cccc(Br)c2F)s1 ZINC000191959397 532376999 /nfs/dbraw/zinc/37/69/99/532376999.db2.gz ZEKIOVNLIXFNRR-UHFFFAOYSA-N -2 3 395.235 2.064 20 0 GEADHL CO[C@@H](CS(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-])C1CCOCC1 ZINC000647127508 532368066 /nfs/dbraw/zinc/36/80/66/532368066.db2.gz RJJRQNQNICZIDZ-ZDUSSCGKSA-N -2 3 377.846 2.222 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)[C@H]1CCOC2(CCC2)C1 ZINC000372262714 532380056 /nfs/dbraw/zinc/38/00/56/532380056.db2.gz SEPCDRDTGUNNRJ-HZMBPMFUSA-N -2 3 375.393 2.046 20 0 GEADHL CC[C@H](CS(=O)(=O)[N-]c1cc(I)ccc1[O-])OC ZINC000591491380 532412743 /nfs/dbraw/zinc/41/27/43/532412743.db2.gz FJBSCSQLYOGUOS-SECBINFHSA-N -2 3 385.223 2.164 20 0 GEADHL O=C([O-])[C@H]1C=C[C@H]([N-]S(=O)(=O)c2cccc(Br)c2Cl)C1 ZINC000560076968 532413370 /nfs/dbraw/zinc/41/33/70/532413370.db2.gz KIHQHIOGWQZMGT-YUMQZZPRSA-N -2 3 380.647 2.410 20 0 GEADHL Cc1ncc(CNC(=O)c2c([O-])cnc3c(Br)cccc32)c(=O)[n-]1 ZINC000561405532 532438492 /nfs/dbraw/zinc/43/84/92/532438492.db2.gz AYAORDUNJMNWNO-UHFFFAOYSA-N -2 3 389.209 2.437 20 0 GEADHL COCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)C(=O)[O-] ZINC000650393494 532442864 /nfs/dbraw/zinc/44/28/64/532442864.db2.gz BEVKJMVOCMUEDD-MRVPVSSYSA-N -2 3 391.751 2.007 20 0 GEADHL C[C@@H]([N-]S(=O)(=O)c1ncccc1C(F)(F)F)c1ncc(C(=O)[O-])s1 ZINC000650424682 532445518 /nfs/dbraw/zinc/44/55/18/532445518.db2.gz JKIRXERIGUFGDC-ZCFIWIBFSA-N -2 3 381.357 2.295 20 0 GEADHL COc1ccc(F)cc1S(=O)(=O)[N-][C@@H](CSCC=C(C)C)C(=O)[O-] ZINC000593256745 532477172 /nfs/dbraw/zinc/47/71/72/532477172.db2.gz NQTYSEZKTTVOAJ-LBPRGKRZSA-N -2 3 377.459 2.265 20 0 GEADHL O=C([O-])[C@H](C[C@H]1CCCOC1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000629340672 532487140 /nfs/dbraw/zinc/48/71/40/532487140.db2.gz OUDGCFXGKBYEER-BDAKNGLRSA-N -2 3 387.401 2.315 20 0 GEADHL CCOC(=O)c1ccc(S(=O)(=O)[N-]CC(CC)(CC)C(=O)[O-])c(F)c1 ZINC000593218365 532475813 /nfs/dbraw/zinc/47/58/13/532475813.db2.gz SEBYJWMJAWPEIZ-UHFFFAOYSA-N -2 3 375.418 2.172 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1cncc([O-])c1 ZINC000469667509 532508765 /nfs/dbraw/zinc/50/87/65/532508765.db2.gz QEFPIVAXUYNNNK-UHFFFAOYSA-N -2 3 375.328 2.430 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)[C@H]1CCCO1 ZINC000630423311 532519122 /nfs/dbraw/zinc/51/91/22/532519122.db2.gz QZDMXOSIUDUFOS-MWLCHTKSSA-N -2 3 398.662 2.013 20 0 GEADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCO[C@H](C(C)C)C1 ZINC000564919470 532537245 /nfs/dbraw/zinc/53/72/45/532537245.db2.gz UOSDHIADBKSOKR-YPMHNXCESA-N -2 3 375.418 2.014 20 0 GEADHL O=C([O-])[C@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000564809153 532532020 /nfs/dbraw/zinc/53/20/20/532532020.db2.gz ZMVNPYKTNNSEBK-SCZZXKLOSA-N -2 3 399.799 2.100 20 0 GEADHL COc1cc(F)c(Br)cc1S(=O)(=O)[N-]C[C@H](C)CCC(=O)[O-] ZINC000565232730 532554234 /nfs/dbraw/zinc/55/42/34/532554234.db2.gz LOXNMOYESDYPNS-MRVPVSSYSA-N -2 3 398.250 2.376 20 0 GEADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCC1(CC(=O)[O-])CCCCC1 ZINC000296831729 532546228 /nfs/dbraw/zinc/54/62/28/532546228.db2.gz BERBHJQRUCMFNB-UHFFFAOYSA-N -2 3 377.894 2.476 20 0 GEADHL CCOc1ccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000433609806 532575388 /nfs/dbraw/zinc/57/53/88/532575388.db2.gz WSFTUVVSRARPJL-UHFFFAOYSA-N -2 3 388.442 2.397 20 0 GEADHL CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2CCC(=O)[O-])s1 ZINC000297251851 532576760 /nfs/dbraw/zinc/57/67/60/532576760.db2.gz QSSOQRGFUBRZLY-GXTWGEPZSA-N -2 3 388.511 2.086 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-][C@H](C[C@H]2CCCO2)C(F)(F)F)cc1C(=O)[O-] ZINC000656181605 532608928 /nfs/dbraw/zinc/60/89/28/532608928.db2.gz UQUKGFKHJXIPJF-ZWNOBZJWSA-N -2 3 381.372 2.472 20 0 GEADHL CCCC[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000566915711 532629554 /nfs/dbraw/zinc/62/95/54/532629554.db2.gz OFDIQOODOAYPBI-LBPRGKRZSA-N -2 3 397.280 2.031 20 0 GEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC000567231777 532645621 /nfs/dbraw/zinc/64/56/21/532645621.db2.gz SUOSJSPHPGIIGT-PCTYZZJISA-N -2 3 391.873 2.385 20 0 GEADHL Cc1nc(C)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(OC(F)F)cc2)s1 ZINC000567807988 532665549 /nfs/dbraw/zinc/66/55/49/532665549.db2.gz BXFNSRBHUFESPF-LLVKDONJSA-N -2 3 392.405 2.466 20 0 GEADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2ccnc(N3CCCCC3)c2)c1 ZINC000298865764 532680164 /nfs/dbraw/zinc/68/01/64/532680164.db2.gz SMOYILAHMNRPNC-UHFFFAOYSA-N -2 3 381.479 2.310 20 0 GEADHL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F ZINC000569270006 532693682 /nfs/dbraw/zinc/69/36/82/532693682.db2.gz KKWVZYTUUBVQGI-NSHDSACASA-N -2 3 385.408 2.402 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@H]2CC=CCC2)c(F)c1 ZINC000451216097 532762425 /nfs/dbraw/zinc/76/24/25/532762425.db2.gz LWGMUZFQHHFOLK-LBPRGKRZSA-N -2 3 376.475 2.364 20 0 GEADHL C=CCC[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1OC)C(=O)[O-] ZINC000316362475 532782810 /nfs/dbraw/zinc/78/28/10/532782810.db2.gz QDMSMEBFPLHEFM-JTQLQIEISA-N -2 3 378.244 2.155 20 0 GEADHL COc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCC[C@]1(C)C(=O)[O-] ZINC000317138255 532784054 /nfs/dbraw/zinc/78/40/54/532784054.db2.gz VBZDFNWICAGHSQ-JSGCOSHPSA-N -2 3 392.271 2.379 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]C[C@H](Cc2cccnc2)C(=O)[O-])c(Cl)cc1F ZINC000547569243 532786647 /nfs/dbraw/zinc/78/66/47/532786647.db2.gz IRNKLACYMVHSMH-LBPRGKRZSA-N -2 3 386.832 2.404 20 0 GEADHL CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)oc1CC)C(=O)[O-] ZINC000547609374 532787944 /nfs/dbraw/zinc/78/79/44/532787944.db2.gz QPUGJUFWONVYNC-MNOVXSKESA-N -2 3 375.443 2.186 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cncc(F)c1)c1ccccc1Br ZINC000548209700 532789068 /nfs/dbraw/zinc/78/90/68/532789068.db2.gz VWVJDTDHLIRDQP-GFCCVEGCSA-N -2 3 389.202 2.087 20 0 GEADHL CSCC[C@@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(=O)[O-] ZINC000287316264 532791054 /nfs/dbraw/zinc/79/10/54/532791054.db2.gz URSFOYXWBDRWLB-MRVPVSSYSA-N -2 3 391.364 2.209 20 0 GEADHL CCO[C@@H]1C[C@@]([N-]S(=O)(=O)c2cccc(Cl)c2F)(C(=O)[O-])C1(C)C ZINC000548685194 532793070 /nfs/dbraw/zinc/79/30/70/532793070.db2.gz OINXDRFQBIGFRL-IAQYHMDHSA-N -2 3 379.837 2.416 20 0 GEADHL CCO[C@H]1C[C@]([N-]S(=O)(=O)c2cccc(Cl)c2F)(C(=O)[O-])C1(C)C ZINC000548685195 532793404 /nfs/dbraw/zinc/79/34/04/532793404.db2.gz OINXDRFQBIGFRL-NHYWBVRUSA-N -2 3 379.837 2.416 20 0 GEADHL Nc1c([N-]S(=O)(=O)C[C@@H]2CCCCO2)cc(Br)cc1C(=O)[O-] ZINC000330441241 532818730 /nfs/dbraw/zinc/81/87/30/532818730.db2.gz DPKRPMDMHSUIOD-VIFPVBQESA-N -2 3 393.259 2.040 20 0 GEADHL COC(C)(C)CS(=O)(=O)[N-]c1cc(Br)c(F)cc1C(=O)[O-] ZINC000414381125 532823363 /nfs/dbraw/zinc/82/33/63/532823363.db2.gz HXRWGWYEOBDHGA-UHFFFAOYSA-N -2 3 384.223 2.453 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCCOC[C@H]2CCCO2)c(Cl)cc1F ZINC000273611036 532828494 /nfs/dbraw/zinc/82/84/94/532828494.db2.gz AGYZPOWAFIEZOG-SNVBAGLBSA-N -2 3 395.836 2.041 20 0 GEADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Br)[C@H]1CCCO1 ZINC000273659567 532829763 /nfs/dbraw/zinc/82/97/63/532829763.db2.gz HTKGHFVRKNSCKK-RDDDGLTNSA-N -2 3 396.234 2.132 20 0 GEADHL CSC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Br ZINC000273743758 532833150 /nfs/dbraw/zinc/83/31/50/532833150.db2.gz UFZOQAWYRPXVPW-LURJTMIESA-N -2 3 386.264 2.316 20 0 GEADHL COc1cc(Cl)c(S(=O)(=O)[N-][C@H](CCSC)C(=O)[O-])cc1Cl ZINC000274889515 532859164 /nfs/dbraw/zinc/85/91/64/532859164.db2.gz FSEHSOQUSOQHPE-SECBINFHSA-N -2 3 388.294 2.487 20 0 GEADHL CSCC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1F)C(=O)[O-] ZINC000274946874 532860366 /nfs/dbraw/zinc/86/03/66/532860366.db2.gz RXUYFGWJCFRZKZ-SECBINFHSA-N -2 3 386.264 2.073 20 0 GEADHL O=C([O-])[C@H](CSCCOc1ccccc1)[N-]S(=O)(=O)c1cccs1 ZINC000275026888 532861520 /nfs/dbraw/zinc/86/15/20/532861520.db2.gz PNDVFDXJYZOHOJ-ZDUSSCGKSA-N -2 3 387.504 2.292 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H](C)C(=O)[O-])s1 ZINC000275076598 532863343 /nfs/dbraw/zinc/86/33/43/532863343.db2.gz XRMNYFIBPADBNR-IINYFYTJSA-N -2 3 383.447 2.275 20 0 GEADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000275382449 532874725 /nfs/dbraw/zinc/87/47/25/532874725.db2.gz ZSMWVTOGRPAZKU-XYPYZODXSA-N -2 3 389.857 2.296 20 0 GEADHL CCO[C@H]1C[C@]([N-]S(=O)(=O)c2cc(C)c(F)cc2F)(C(=O)[O-])C1(C)C ZINC000275588342 532879340 /nfs/dbraw/zinc/87/93/40/532879340.db2.gz IAQGTXJKBBZCJN-BBRMVZONSA-N -2 3 377.409 2.210 20 0 GEADHL COC(=O)C1(CS(=O)(=O)[N-]c2c(C)ccc(Cl)c2C(=O)[O-])CCC1 ZINC000291102837 532896508 /nfs/dbraw/zinc/89/65/08/532896508.db2.gz LWCNVYDVQOYOOI-UHFFFAOYSA-N -2 3 375.830 2.432 20 0 GEADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2c(C)nn(C)c2C)sc1Cl ZINC000276473795 532896619 /nfs/dbraw/zinc/89/66/19/532896619.db2.gz QZRNVXMZXAGHTE-NSHDSACASA-N -2 3 377.875 2.164 20 0 GEADHL CCC(=O)C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC000276915967 532903582 /nfs/dbraw/zinc/90/35/82/532903582.db2.gz ODJPFOJDZRKWIU-VIFPVBQESA-N -2 3 398.662 2.203 20 0 GEADHL CCc1nc(C)c(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)o1 ZINC000291979883 532911347 /nfs/dbraw/zinc/91/13/47/532911347.db2.gz UVQOFDARCDMIFK-UHFFFAOYSA-N -2 3 388.829 2.384 20 0 GEADHL O=C([O-])c1csc(S(=O)(=O)[N-]C[C@@H]2CCN(c3ccccc3F)C2)c1 ZINC000292790512 532918699 /nfs/dbraw/zinc/91/86/99/532918699.db2.gz XZFXTIOVOZQEBF-NSHDSACASA-N -2 3 384.454 2.390 20 0 GEADHL COc1c(F)cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000737026274 598843483 /nfs/dbraw/zinc/84/34/83/598843483.db2.gz PQPCFXSSBBLJCA-UHFFFAOYSA-N -2 3 385.327 2.093 20 0 GEADHL COc1c(F)cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000737026274 598843485 /nfs/dbraw/zinc/84/34/85/598843485.db2.gz PQPCFXSSBBLJCA-UHFFFAOYSA-N -2 3 385.327 2.093 20 0 GEADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000738216023 598867453 /nfs/dbraw/zinc/86/74/53/598867453.db2.gz VGSVEEXRUPYDSV-UHFFFAOYSA-N -3 3 379.785 2.019 20 0 GEADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000738216023 598867454 /nfs/dbraw/zinc/86/74/54/598867454.db2.gz VGSVEEXRUPYDSV-UHFFFAOYSA-N -3 3 379.785 2.019 20 0 GEADHL Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000737270618 598909870 /nfs/dbraw/zinc/90/98/70/598909870.db2.gz NDFGUFGLBKVFFI-UHFFFAOYSA-N -2 3 376.417 2.181 20 0 GEADHL Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000737270618 598909872 /nfs/dbraw/zinc/90/98/72/598909872.db2.gz NDFGUFGLBKVFFI-UHFFFAOYSA-N -2 3 376.417 2.181 20 0 GEADHL CC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736352025 598924490 /nfs/dbraw/zinc/92/44/90/598924490.db2.gz ULCQAQBJHOKIFB-HNNXBMFYSA-N -2 3 391.497 2.419 20 0 GEADHL CC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736352025 598924492 /nfs/dbraw/zinc/92/44/92/598924492.db2.gz ULCQAQBJHOKIFB-HNNXBMFYSA-N -2 3 391.497 2.419 20 0 GEADHL Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)no1 ZINC000737464570 598947904 /nfs/dbraw/zinc/94/79/04/598947904.db2.gz OQLMMQVJIQCGMK-UHFFFAOYSA-N -2 3 397.420 2.334 20 0 GEADHL COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1C ZINC000821667084 607254869 /nfs/dbraw/zinc/25/48/69/607254869.db2.gz TWEXGEQEYOANAL-UHFFFAOYSA-N -2 3 387.421 2.071 20 0 GEADHL Cc1ccccc1-n1nccc1[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000737415184 598969201 /nfs/dbraw/zinc/96/92/01/598969201.db2.gz LRODEDLUMQLVKI-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C[C@H]1CCCC[C@@H]1C ZINC000737298505 598976434 /nfs/dbraw/zinc/97/64/34/598976434.db2.gz LFSLXFMQUROTSF-WCQYABFASA-N -2 3 377.470 2.196 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C[C@H]1CCCC[C@@H]1C ZINC000737298505 598976436 /nfs/dbraw/zinc/97/64/36/598976436.db2.gz LFSLXFMQUROTSF-WCQYABFASA-N -2 3 377.470 2.196 20 0 GEADHL CCCc1ccc(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000736497537 598973942 /nfs/dbraw/zinc/97/39/42/598973942.db2.gz SBIFZCRXUGTOPE-UHFFFAOYSA-N -2 3 385.449 2.246 20 0 GEADHL CCCc1ccc(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000736497537 598973943 /nfs/dbraw/zinc/97/39/43/598973943.db2.gz SBIFZCRXUGTOPE-UHFFFAOYSA-N -2 3 385.449 2.246 20 0 GEADHL CCc1sc(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)cc1C ZINC000736714115 598977506 /nfs/dbraw/zinc/97/75/06/598977506.db2.gz SGAIYBPDYIKVME-UHFFFAOYSA-N -2 3 391.478 2.226 20 0 GEADHL CCc1sc(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cc1C ZINC000736714115 598977508 /nfs/dbraw/zinc/97/75/08/598977508.db2.gz SGAIYBPDYIKVME-UHFFFAOYSA-N -2 3 391.478 2.226 20 0 GEADHL COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C[C@H](C)C(=O)[O-] ZINC000054334075 602138174 /nfs/dbraw/zinc/13/81/74/602138174.db2.gz AIRANGLJUMKGDY-LURJTMIESA-N -2 3 386.651 2.110 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCC(=O)[O-])c2)cc1 ZINC000509201755 597115870 /nfs/dbraw/zinc/11/58/70/597115870.db2.gz FKCDJPOITQIPST-UHFFFAOYSA-N -2 3 376.434 2.309 20 0 GEADHL COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)C(=O)[O-])c2)cc1 ZINC000485878664 597328226 /nfs/dbraw/zinc/32/82/26/597328226.db2.gz BXXMKNIEAAYWGV-LBPRGKRZSA-N -2 3 392.433 2.007 20 0 GEADHL O=C([O-])CSCC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000570396562 597484048 /nfs/dbraw/zinc/48/40/48/597484048.db2.gz LOXQPUUETKSSRZ-UHFFFAOYSA-N -2 3 386.857 2.041 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)N[C@H](CC(C)C)C(=O)[O-])cc1OC ZINC000521296443 597492611 /nfs/dbraw/zinc/49/26/11/597492611.db2.gz XGAPJXNROPTRJP-CYBMUJFWSA-N -2 3 387.458 2.078 20 0 GEADHL O=C(C=CC1CCCCC1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737797139 599284214 /nfs/dbraw/zinc/28/42/14/599284214.db2.gz QFJJQTKJQRRBLK-RMKNXTFCSA-N -2 3 395.872 2.462 20 0 GEADHL O=C(C=CC1CCCCC1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737797139 599284215 /nfs/dbraw/zinc/28/42/15/599284215.db2.gz QFJJQTKJQRRBLK-RMKNXTFCSA-N -2 3 395.872 2.462 20 0 GEADHL CCC=C(C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736412712 598331831 /nfs/dbraw/zinc/33/18/31/598331831.db2.gz UGQPWYRAVNALAX-XBXARRHUSA-N -2 3 389.359 2.047 20 0 GEADHL CCC=C(C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736412712 598331832 /nfs/dbraw/zinc/33/18/32/598331832.db2.gz UGQPWYRAVNALAX-XBXARRHUSA-N -2 3 389.359 2.047 20 0 GEADHL CC(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735482240 598360071 /nfs/dbraw/zinc/36/00/71/598360071.db2.gz OYBOWKATGRMFJL-UHFFFAOYSA-N -2 3 392.828 2.279 20 0 GEADHL CCc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000736689928 598414947 /nfs/dbraw/zinc/41/49/47/598414947.db2.gz UASSDNCDNSPZEW-UHFFFAOYSA-N -2 3 397.869 2.263 20 0 GEADHL CCc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000736689928 598414948 /nfs/dbraw/zinc/41/49/48/598414948.db2.gz UASSDNCDNSPZEW-UHFFFAOYSA-N -2 3 397.869 2.263 20 0 GEADHL O=C(C=Cc1cccs1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737804235 598415259 /nfs/dbraw/zinc/41/52/59/598415259.db2.gz AEKLPCIIAWYPMI-ZZXKWVIFSA-N -2 3 395.853 2.100 20 0 GEADHL O=C(C=Cc1cccs1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737804235 598415261 /nfs/dbraw/zinc/41/52/61/598415261.db2.gz AEKLPCIIAWYPMI-ZZXKWVIFSA-N -2 3 395.853 2.100 20 0 GEADHL Cc1ccc(Cn2nccc2[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737343664 598438419 /nfs/dbraw/zinc/43/84/19/598438419.db2.gz RZWIVNLSROPNOM-UHFFFAOYSA-N -2 3 395.448 2.221 20 0 GEADHL Cc1ccc(Cn2nccc2[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737343664 598438421 /nfs/dbraw/zinc/43/84/21/598438421.db2.gz RZWIVNLSROPNOM-UHFFFAOYSA-N -2 3 395.448 2.221 20 0 GEADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cn1)c1cc(Cl)sc1Cl ZINC000738345904 598638247 /nfs/dbraw/zinc/63/82/47/598638247.db2.gz RAQURSMBMDBUNQ-UHFFFAOYSA-N -2 3 377.238 2.431 20 0 GEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1cc(Cl)sc1Cl ZINC000738345904 598638249 /nfs/dbraw/zinc/63/82/49/598638249.db2.gz RAQURSMBMDBUNQ-UHFFFAOYSA-N -2 3 377.238 2.431 20 0 GEADHL O=S(=O)([N-]c1cccc(Oc2ccncc2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738343378 598755289 /nfs/dbraw/zinc/75/52/89/598755289.db2.gz YALCTJUUACYGBQ-UHFFFAOYSA-N -2 3 395.404 2.250 20 0 GEADHL O=S(=O)([N-]c1cccc(Oc2ccncc2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738343378 598755290 /nfs/dbraw/zinc/75/52/90/598755290.db2.gz YALCTJUUACYGBQ-UHFFFAOYSA-N -2 3 395.404 2.250 20 0 GEADHL O=S(=O)(C[C@@H]1CCCCO1)[N-]c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823557778 599307515 /nfs/dbraw/zinc/30/75/15/599307515.db2.gz QDSBXVDCJRHLNA-JTQLQIEISA-N -2 3 391.375 2.196 20 0 GEADHL CSc1[nH]c(=O)c(C(=O)Nc2cccc(Cl)c2[O-])cc1-c1nn[n-]n1 ZINC000737186681 599495333 /nfs/dbraw/zinc/49/53/33/599495333.db2.gz KSGWTJVRRFAMQL-UHFFFAOYSA-N -2 3 378.801 2.301 20 0 GEADHL O=C(CC/C=C/c1ccccc1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737827147 599618112 /nfs/dbraw/zinc/61/81/12/599618112.db2.gz XCLDKWGDCIQPHM-XBXARRHUSA-N -2 3 383.433 2.165 20 0 GEADHL O=C(CC/C=C/c1ccccc1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737827147 599618113 /nfs/dbraw/zinc/61/81/13/599618113.db2.gz XCLDKWGDCIQPHM-XBXARRHUSA-N -2 3 383.433 2.165 20 0 GEADHL CC(C)[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000820017456 599619524 /nfs/dbraw/zinc/61/95/24/599619524.db2.gz XMDCBUDBKQADLR-QGZVFWFLSA-N -2 3 399.476 2.253 20 0 GEADHL CC(C)[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000820017456 599619525 /nfs/dbraw/zinc/61/95/25/599619525.db2.gz XMDCBUDBKQADLR-QGZVFWFLSA-N -2 3 399.476 2.253 20 0 GEADHL Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000822230387 599695036 /nfs/dbraw/zinc/69/50/36/599695036.db2.gz FDTJMODOQRYHAY-UHFFFAOYSA-N -2 3 384.343 2.390 20 0 GEADHL Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000822230387 599695037 /nfs/dbraw/zinc/69/50/37/599695037.db2.gz FDTJMODOQRYHAY-UHFFFAOYSA-N -2 3 384.343 2.390 20 0 GEADHL COc1ccc(C2(C[N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)CCOCC2)cc1 ZINC000563883555 599773634 /nfs/dbraw/zinc/77/36/34/599773634.db2.gz SYBVNKFZNVHDAQ-UHFFFAOYSA-N -2 3 395.433 2.013 20 0 GEADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(N2CCOCC2)c(F)c1 ZINC000740243329 599802177 /nfs/dbraw/zinc/80/21/77/599802177.db2.gz YVNWGBDKMUOADG-UHFFFAOYSA-N -2 3 380.397 2.161 20 0 GEADHL COC(=O)c1cc(C)nc2nc(SCc3cc(C(=O)[O-])co3)[n-]c(=O)c21 ZINC000737653317 599805056 /nfs/dbraw/zinc/80/50/56/599805056.db2.gz HLXAZSIBFPUOPB-UHFFFAOYSA-N -2 3 375.362 2.409 20 0 GEADHL Cn1ccnc1COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000738411824 599885876 /nfs/dbraw/zinc/88/58/76/599885876.db2.gz SVDZJYBYYQDWJI-UHFFFAOYSA-N -2 3 387.417 2.498 20 0 GEADHL C[S@@](=O)c1cccc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)c1 ZINC000738179086 600177228 /nfs/dbraw/zinc/17/72/28/600177228.db2.gz HKZBIYWBFPCYGE-XMMPIXPASA-N -2 3 383.447 2.078 20 0 GEADHL CC(C)[C@H]([N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)c1nc(C2CC2)no1 ZINC000580712950 600230678 /nfs/dbraw/zinc/23/06/78/600230678.db2.gz VRDYCZABFHVAGK-AWEZNQCLSA-N -2 3 379.438 2.462 20 0 GEADHL COCC[S@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000735029311 600254477 /nfs/dbraw/zinc/25/44/77/600254477.db2.gz WLUJVBJMANXYLU-VWLOTQADSA-N -2 3 397.474 2.081 20 0 GEADHL O=C([O-])CCSCCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000739744437 600261295 /nfs/dbraw/zinc/26/12/95/600261295.db2.gz OCXCNQXBYNGRCE-UHFFFAOYSA-N -2 3 399.266 2.228 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2CN(C)C)c(C(=O)[O-])s1 ZINC000737682312 600360117 /nfs/dbraw/zinc/36/01/17/600360117.db2.gz ZQXOHDRBNFQGJV-UHFFFAOYSA-N -2 3 398.462 2.095 20 0 GEADHL C[C@H]1CCc2c(sc(NC(=O)COC(=O)c3cncc([O-])c3)c2C(=O)[O-])C1 ZINC000736801045 600370979 /nfs/dbraw/zinc/37/09/79/600370979.db2.gz IWXDVJKKGYCBNL-VIFPVBQESA-N -2 3 390.417 2.467 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2cccc(Cn3cccn3)c2)cc1C(=O)[O-] ZINC000042791578 600541851 /nfs/dbraw/zinc/54/18/51/600541851.db2.gz CPQGETSPQFXABC-UHFFFAOYSA-N -2 3 387.417 2.439 20 0 GEADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cc1CO ZINC000518645277 600543914 /nfs/dbraw/zinc/54/39/14/600543914.db2.gz ZHJVPKJEPLZWCO-UHFFFAOYSA-N -2 3 381.406 2.085 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)cc1C(=O)[O-] ZINC000524550498 600544963 /nfs/dbraw/zinc/54/49/63/600544963.db2.gz TUHHGCDLEOXNOE-DEOSSOPVSA-N -2 3 383.447 2.073 20 0 GEADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1F ZINC000740146900 600678885 /nfs/dbraw/zinc/67/88/85/600678885.db2.gz WUSLMEJYWJJEON-UHFFFAOYSA-N -3 3 375.280 2.301 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000832950595 600691545 /nfs/dbraw/zinc/69/15/45/600691545.db2.gz OZJJLBCMGHNUHH-UHFFFAOYSA-N -3 3 379.390 2.348 20 0 GEADHL COC(=O)Nc1ccc(C(=O)OCC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)cc1[O-] ZINC000831209747 600730154 /nfs/dbraw/zinc/73/01/54/600730154.db2.gz JIMZVSSHZJHAFD-UHFFFAOYSA-N -2 3 390.348 2.253 20 0 GEADHL C[C@H](Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C(=O)[O-] ZINC000737693693 600731778 /nfs/dbraw/zinc/73/17/78/600731778.db2.gz GGLJIGMBRQVSFI-NSHDSACASA-N -2 3 378.406 2.144 20 0 GEADHL Cc1ccc([C@H](C[N-]S(=O)(=O)c2ccc(Br)cn2)C(=O)[O-])cc1 ZINC000832923159 600742779 /nfs/dbraw/zinc/74/27/79/600742779.db2.gz LQZRCUINQMFNMB-ZDUSSCGKSA-N -2 3 399.266 2.299 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCSC2)c(F)cc1Br ZINC000833303659 600785513 /nfs/dbraw/zinc/78/55/13/600785513.db2.gz SZXOKIPJHJYZAH-ZCFIWIBFSA-N -2 3 384.248 2.070 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)N(C)C)cc2)cc1C(=O)[O-] ZINC000042794257 600811057 /nfs/dbraw/zinc/81/10/57/600811057.db2.gz BUZCIJKUEWCLPG-UHFFFAOYSA-N -2 3 376.434 2.125 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOC3=O)cc2)cc1C(=O)[O-] ZINC000832955795 600813626 /nfs/dbraw/zinc/81/36/26/600813626.db2.gz HNUOHGGFCHXQEX-UHFFFAOYSA-N -2 3 376.390 2.451 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(F)c2)cc1C(=O)[O-] ZINC000263958685 600814062 /nfs/dbraw/zinc/81/40/62/600814062.db2.gz QQTVHERIZHABTC-UHFFFAOYSA-N -2 3 394.424 2.470 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1N1CCOC1=O ZINC000746056706 600867956 /nfs/dbraw/zinc/86/79/56/600867956.db2.gz VLSURLRNFSYXEA-UHFFFAOYSA-N -2 3 376.390 2.451 20 0 GEADHL COC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000506687001 600889041 /nfs/dbraw/zinc/88/90/41/600889041.db2.gz IUAQWAGZUKSPGQ-UHFFFAOYSA-N -2 3 379.390 2.046 20 0 GEADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000776616789 601128971 /nfs/dbraw/zinc/12/89/71/601128971.db2.gz TURCILNZMBKIEZ-ZBEGNZNMSA-N -2 3 395.408 2.353 20 0 GEADHL Cc1oc(S(=O)(=O)[N-]Cc2ccc(OCC(F)(F)F)nc2)cc1C(=O)[O-] ZINC000833027600 601217083 /nfs/dbraw/zinc/21/70/83/601217083.db2.gz WOMJXUXFRRMLAU-UHFFFAOYSA-N -2 3 394.327 2.101 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCN(c3ccc(F)cc3F)C2)cc1C(=O)[O-] ZINC000833027510 601220728 /nfs/dbraw/zinc/22/07/28/601220728.db2.gz FZZXISLMBGUZQS-NSHDSACASA-N -2 3 386.376 2.122 20 0 GEADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C2=NNC(=O)CC2)cc1 ZINC000466282787 601223967 /nfs/dbraw/zinc/22/39/67/601223967.db2.gz ITEMROSSIPMXRL-UHFFFAOYSA-N -2 3 387.417 2.108 20 0 GEADHL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000833299833 601224967 /nfs/dbraw/zinc/22/49/67/601224967.db2.gz VIQUERUYYBDHBS-UHFFFAOYSA-N -3 3 375.280 2.301 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCN(c3cccc(Cl)c3)C2)cc1C(=O)[O-] ZINC000833028151 601228000 /nfs/dbraw/zinc/22/80/00/601228000.db2.gz KJFIMYSXJINCOB-LBPRGKRZSA-N -2 3 384.841 2.497 20 0 GEADHL CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000828790044 601304525 /nfs/dbraw/zinc/30/45/25/601304525.db2.gz LACYVIOIDVSLSF-UHFFFAOYSA-N -2 3 388.461 2.276 20 0 GEADHL COc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1NC(C)=O ZINC000024437619 601321113 /nfs/dbraw/zinc/32/11/13/601321113.db2.gz VCCZUCJIVPCEHI-UHFFFAOYSA-N -2 3 382.369 2.292 20 0 GEADHL COC(=O)COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cc1 ZINC000603977567 601323164 /nfs/dbraw/zinc/32/31/64/601323164.db2.gz NKKIZYIPKSQVQC-UHFFFAOYSA-N -2 3 393.417 2.354 20 0 GEADHL COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000831083869 601387429 /nfs/dbraw/zinc/38/74/29/601387429.db2.gz CQBHOAQSNWCRBD-MRXNPFEDSA-N -2 3 397.836 2.160 20 0 GEADHL CC(C)(CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C(=O)[O-] ZINC000510312001 601714089 /nfs/dbraw/zinc/71/40/89/601714089.db2.gz GDRMSXHQQKLUIW-UHFFFAOYSA-N -2 3 394.424 2.467 20 0 GEADHL Cc1ccc(C(=O)NCCC(=O)OCc2ccc(C(=O)[O-])c(F)c2)c([O-])c1 ZINC000832912013 601727059 /nfs/dbraw/zinc/72/70/59/601727059.db2.gz QGMZIBNWMMARQA-UHFFFAOYSA-N -2 3 375.352 2.401 20 0 GEADHL O=C([O-])CN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C1CC1 ZINC000532604156 601744931 /nfs/dbraw/zinc/74/49/31/601744931.db2.gz FPBRKSZMWRVTPR-UHFFFAOYSA-N -2 3 392.408 2.316 20 0 GEADHL C[C@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C[C@H]1C(=O)[O-] ZINC000828388394 601758309 /nfs/dbraw/zinc/75/83/09/601758309.db2.gz YFYMCQQYTWEZQK-GZMMTYOYSA-N -2 3 379.210 2.083 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2(C(F)(F)F)CCOCC2)ccc1Cl ZINC000833303572 601830859 /nfs/dbraw/zinc/83/08/59/601830859.db2.gz YUMFTTPHIQFPDI-UHFFFAOYSA-N -2 3 387.763 2.428 20 0 GEADHL Cn1c2ccccc2sc1=N[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000833037972 601833857 /nfs/dbraw/zinc/83/38/57/601833857.db2.gz ZAXGBVGSUBXNHS-UHFFFAOYSA-N -2 3 399.400 2.010 20 0 GEADHL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c(C(=O)[O-])cc1OC ZINC000466319010 601855449 /nfs/dbraw/zinc/85/54/49/601855449.db2.gz CRRWJZYNMLCHTC-UHFFFAOYSA-N -3 3 395.389 2.209 20 0 GEADHL COc1cc(C)c([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1OC ZINC000826178322 607532402 /nfs/dbraw/zinc/53/24/02/607532402.db2.gz SMUYSFVVRNXNFZ-UHFFFAOYSA-N -2 3 389.437 2.302 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)c1-c1nnn[n-]1 ZINC000826303782 607534220 /nfs/dbraw/zinc/53/42/20/607534220.db2.gz FGRTZCOILQXSMC-UHFFFAOYSA-N -2 3 381.421 2.366 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)c1-c1nn[n-]n1 ZINC000826303782 607534222 /nfs/dbraw/zinc/53/42/22/607534222.db2.gz FGRTZCOILQXSMC-UHFFFAOYSA-N -2 3 381.421 2.366 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2=O)c1-c1nnn[n-]1 ZINC000826304101 607534897 /nfs/dbraw/zinc/53/48/97/607534897.db2.gz WBEAHQISFNYUPH-UHFFFAOYSA-N -2 3 398.448 2.103 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2ccccc2N2CCCC2=O)c1-c1nn[n-]n1 ZINC000826304101 607534898 /nfs/dbraw/zinc/53/48/98/607534898.db2.gz WBEAHQISFNYUPH-UHFFFAOYSA-N -2 3 398.448 2.103 20 0 GEADHL O=C([O-])c1ccc(COC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])s1 ZINC000833316044 602004491 /nfs/dbraw/zinc/00/44/91/602004491.db2.gz NDHVGPPCIFBIMR-ZDUSSCGKSA-N -2 3 375.402 2.500 20 0 GEADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)c1ccccn1 ZINC000055313489 602141248 /nfs/dbraw/zinc/14/12/48/602141248.db2.gz MDEALYPZLDUFGJ-SSDOTTSWSA-N -2 3 375.200 2.175 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCc2cccc(F)c2)c(Br)o1 ZINC000238004167 602141660 /nfs/dbraw/zinc/14/16/60/602141660.db2.gz HPROSRQIVQZSAP-UHFFFAOYSA-N -2 3 392.202 2.400 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC2CCSCC2)c(Br)o1 ZINC000229196560 602155126 /nfs/dbraw/zinc/15/51/26/602155126.db2.gz ULNRSBRNBWZDNF-UHFFFAOYSA-N -2 3 384.273 2.162 20 0 GEADHL COC(C)(C)C[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000831484872 602159584 /nfs/dbraw/zinc/15/95/84/602159584.db2.gz SPYXGQYYEQFRID-SSDOTTSWSA-N -2 3 384.248 2.222 20 0 GEADHL CO[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C(C)(C)C ZINC000761319785 602161245 /nfs/dbraw/zinc/16/12/45/602161245.db2.gz PBMYIZRLYPSFJX-SECBINFHSA-N -2 3 384.248 2.080 20 0 GEADHL CC(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000761321412 602161909 /nfs/dbraw/zinc/16/19/09/602161909.db2.gz XVYMOKDCPNZISN-GZMMTYOYSA-N -2 3 396.259 2.080 20 0 GEADHL O=C([O-])N1CCC(C[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CC1 ZINC000740496654 602539145 /nfs/dbraw/zinc/53/91/45/602539145.db2.gz PEESFKNVZNWSTO-UHFFFAOYSA-N -2 3 381.479 2.478 20 0 GEADHL O=C([O-])Nc1cc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)ccc1F ZINC000740696079 602547296 /nfs/dbraw/zinc/54/72/96/602547296.db2.gz NDAKACKCULGZEZ-UHFFFAOYSA-N -2 3 387.367 2.219 20 0 GEADHL COc1ccccc1[C@H](CNC(=O)c1nnc2ccccc2c1[O-])NC(=O)[O-] ZINC000739964498 602588539 /nfs/dbraw/zinc/58/85/39/602588539.db2.gz ROTHMCPKTHZJGF-AWEZNQCLSA-N -2 3 382.376 2.083 20 0 GEADHL Cn1c(=O)oc2cc(S(=O)(=O)[N-]c3cc(NC(=O)[O-])ccc3F)ccc21 ZINC000740279629 602653338 /nfs/dbraw/zinc/65/33/38/602653338.db2.gz QWEDCGIUVCPWNB-UHFFFAOYSA-N -2 3 381.341 2.161 20 0 GEADHL C[C@@](CNC(=O)[O-])([N-]S(=O)(=O)c1ccc(Br)s1)C1CC1 ZINC000738927840 602709000 /nfs/dbraw/zinc/70/90/00/602709000.db2.gz VTLVEYPNVIEDBR-NSHDSACASA-N -2 3 383.289 2.225 20 0 GEADHL CC(C)(CNC(=O)[O-])NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000738748901 602733106 /nfs/dbraw/zinc/73/31/06/602733106.db2.gz HDPTURBYFSCGRJ-UHFFFAOYSA-N -2 3 382.214 2.067 20 0 GEADHL COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cc(NC(=O)[O-])ccc2F)cc1 ZINC000739767944 602998851 /nfs/dbraw/zinc/99/88/51/602998851.db2.gz CICSDFZJCKFCOD-UHFFFAOYSA-N -2 3 382.369 2.432 20 0 GEADHL Cc1ccc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1NC(=O)[O-] ZINC000830197927 603464559 /nfs/dbraw/zinc/46/45/59/603464559.db2.gz DTHNWFUAODTCHY-UHFFFAOYSA-N -2 3 383.404 2.389 20 0 GEADHL Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1NC(=O)[O-] ZINC000830198995 603474343 /nfs/dbraw/zinc/47/43/43/603474343.db2.gz RGFFFNBCAIMUJM-UHFFFAOYSA-N -2 3 383.404 2.389 20 0 GEADHL O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000832476717 604279211 /nfs/dbraw/zinc/27/92/11/604279211.db2.gz YCBXYLFBPKXLHJ-CMPLNLGQSA-N -2 3 386.246 2.390 20 0 GEADHL Cn1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cccc(Cl)c2)nc1Cl ZINC000776476266 604407821 /nfs/dbraw/zinc/40/78/21/604407821.db2.gz KCMVKXAAZNHBKW-JTQLQIEISA-N -2 3 378.237 2.221 20 0 GEADHL O=C([O-])c1ccsc1NC(=O)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000833145421 604424941 /nfs/dbraw/zinc/42/49/41/604424941.db2.gz MIUFIVPQZAGASA-UHFFFAOYSA-N -2 3 399.222 2.169 20 0 GEADHL CCCCCCn1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c(=O)[nH]c1=O ZINC000772568756 604665237 /nfs/dbraw/zinc/66/52/37/604665237.db2.gz OFRFMHKIVZYFII-UHFFFAOYSA-N -2 3 395.437 2.028 20 0 GEADHL CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c1C ZINC000484531396 604766712 /nfs/dbraw/zinc/76/67/12/604766712.db2.gz ODZNMXFSRJZMQQ-UHFFFAOYSA-N -2 3 384.385 2.446 20 0 GEADHL CC(C)(C)OC(=O)CCCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000833433182 605010512 /nfs/dbraw/zinc/01/05/12/605010512.db2.gz FDSIVICXUCSYFV-UHFFFAOYSA-N -2 3 393.408 2.453 20 0 GEADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1cccs1 ZINC000392982905 605015157 /nfs/dbraw/zinc/01/51/57/605015157.db2.gz CMNMXNQHIKSWTM-LLVKDONJSA-N -2 3 387.410 2.168 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cc1CC(=O)[O-] ZINC000538138541 605041671 /nfs/dbraw/zinc/04/16/71/605041671.db2.gz SOQKSDKCXBNVAT-UHFFFAOYSA-N -3 3 379.390 2.130 20 0 GEADHL CC(C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)N1CCc2ccccc2C1 ZINC000580950145 605193639 /nfs/dbraw/zinc/19/36/39/605193639.db2.gz IDGUBXXADWPAIS-UHFFFAOYSA-N -2 3 378.450 2.093 20 0 GEADHL O=C([O-])N1CCSC[C@H]1CC(=O)NCc1ccc([O-])c(Br)c1 ZINC000831415074 605333160 /nfs/dbraw/zinc/33/31/60/605333160.db2.gz WLGCXCBJOSMENA-SNVBAGLBSA-N -2 3 389.271 2.256 20 0 GEADHL O=C([O-])c1cccc(CS(=O)(=O)[N-]CC(=O)OCc2ccc(Cl)cc2)c1 ZINC000833764385 605425364 /nfs/dbraw/zinc/42/53/64/605425364.db2.gz DRXIMCMSIUMMOO-UHFFFAOYSA-N -2 3 397.836 2.201 20 0 GEADHL O=C([O-])N1CCC[C@H]1C[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000832007046 605499389 /nfs/dbraw/zinc/49/93/89/605499389.db2.gz WPPVELQOMLYIQJ-VIFPVBQESA-N -2 3 381.223 2.009 20 0 GEADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCCN(C(=O)[O-])C2)s1 ZINC000829900098 605628811 /nfs/dbraw/zinc/62/88/11/605628811.db2.gz OYTZCOVVBCCXAQ-QMMMGPOBSA-N -2 3 383.289 2.240 20 0 GEADHL Cc1nc(C)c(CCC(=O)N2CCN(C(=O)[O-])CC23CCCCC3)c(=O)[n-]1 ZINC000830716022 605747562 /nfs/dbraw/zinc/74/75/62/605747562.db2.gz MUGXHGSPTWUFBL-UHFFFAOYSA-N -2 3 376.457 2.257 20 0 GEADHL O=C(OCCCOc1ccc(-c2nn[n-]n2)cc1)c1c(F)cc([O-])cc1F ZINC000823401204 606130505 /nfs/dbraw/zinc/13/05/05/606130505.db2.gz RQFCJQASWUTCDJ-UHFFFAOYSA-N -2 3 376.319 2.476 20 0 GEADHL O=S(=O)([N-]c1nc(-c2ccccc2)ns1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823589424 606181449 /nfs/dbraw/zinc/18/14/49/606181449.db2.gz YVSNPMZHGSNUIW-UHFFFAOYSA-N -2 3 385.434 2.186 20 0 GEADHL O=S(=O)([N-]c1nc(-c2ccccc2)ns1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823589424 606181450 /nfs/dbraw/zinc/18/14/50/606181450.db2.gz YVSNPMZHGSNUIW-UHFFFAOYSA-N -2 3 385.434 2.186 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)ccc1OC(C)C ZINC000822211684 606212436 /nfs/dbraw/zinc/21/24/36/606212436.db2.gz KVUVXDNYEOAONB-UHFFFAOYSA-N -2 3 389.437 2.469 20 0 GEADHL O=C([O-])c1ccc(NS(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c(F)c1 ZINC000823387564 606430831 /nfs/dbraw/zinc/43/08/31/606430831.db2.gz PDNRLZWOASJKQY-UHFFFAOYSA-N -2 3 397.775 2.158 20 0 GEADHL Cc1ccc(F)c(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nnn[n-]2)c1 ZINC000822240900 606606769 /nfs/dbraw/zinc/60/67/69/606606769.db2.gz DCHAHKDDNFZZGA-UHFFFAOYSA-N -2 3 379.421 2.067 20 0 GEADHL Cc1ncccc1[N-]S(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000822477087 606637064 /nfs/dbraw/zinc/63/70/64/606637064.db2.gz FYBHXNHZLUCTIT-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL Cc1ncccc1[N-]S(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000822477087 606637065 /nfs/dbraw/zinc/63/70/65/606637065.db2.gz FYBHXNHZLUCTIT-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2cnc(Cc3ccccc3)s2)s1 ZINC000446013378 649967364 /nfs/dbraw/zinc/96/73/64/649967364.db2.gz WJIQHHNXMLNPQB-UHFFFAOYSA-N -2 3 395.491 2.209 20 0 GEADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc3oc4ccccc4c3c2)n1 ZINC000822622278 606709617 /nfs/dbraw/zinc/70/96/17/606709617.db2.gz AKCJYHUNTJDRTC-UHFFFAOYSA-N -2 3 395.404 2.300 20 0 GEADHL Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)n1 ZINC000822622783 606711320 /nfs/dbraw/zinc/71/13/20/606711320.db2.gz IUBQXESRJQKKIF-UHFFFAOYSA-N -2 3 387.469 2.449 20 0 GEADHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(N(C)C)ccc1-c1nn[n-]n1 ZINC000822205914 606751194 /nfs/dbraw/zinc/75/11/94/606751194.db2.gz NETIGIJGMXCIGP-UHFFFAOYSA-N -2 3 376.417 2.181 20 0 GEADHL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000822240207 606820778 /nfs/dbraw/zinc/82/07/78/606820778.db2.gz WXNROHNRTGABEU-UHFFFAOYSA-N -3 3 393.812 2.328 20 0 GEADHL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000822240207 606820780 /nfs/dbraw/zinc/82/07/80/606820780.db2.gz WXNROHNRTGABEU-UHFFFAOYSA-N -3 3 393.812 2.328 20 0 GEADHL C[C@H](Cc1cccs1)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820300557 606886364 /nfs/dbraw/zinc/88/63/64/606886364.db2.gz QPDIBPKHRLEQCM-MRVPVSSYSA-N -2 3 385.421 2.116 20 0 GEADHL O=S(=O)([N-][C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572779 606895238 /nfs/dbraw/zinc/89/52/38/606895238.db2.gz MCXSWSHJQWPWSG-HOSYDEDBSA-N -2 3 383.424 2.392 20 0 GEADHL CC(C)(C)c1ccc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000819958773 606916482 /nfs/dbraw/zinc/91/64/82/606916482.db2.gz PXWFZDYZUFQICA-UHFFFAOYSA-N -2 3 391.478 2.344 20 0 GEADHL CC(C)(C)c1ccc(C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000819958773 606916484 /nfs/dbraw/zinc/91/64/84/606916484.db2.gz PXWFZDYZUFQICA-UHFFFAOYSA-N -2 3 391.478 2.344 20 0 GEADHL Cc1cc(Cl)cc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822202026 606921192 /nfs/dbraw/zinc/92/11/92/606921192.db2.gz HWHGCLHYQCHHLX-UHFFFAOYSA-N -2 3 391.840 2.088 20 0 GEADHL Cc1cc(Cl)cc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822202026 606921193 /nfs/dbraw/zinc/92/11/93/606921193.db2.gz HWHGCLHYQCHHLX-UHFFFAOYSA-N -2 3 391.840 2.088 20 0 GEADHL Cc1cc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC000822176301 607095860 /nfs/dbraw/zinc/09/58/60/607095860.db2.gz IHVBRZLWCTZRTQ-UHFFFAOYSA-N -2 3 391.840 2.088 20 0 GEADHL Cc1cc(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC000822176301 607095862 /nfs/dbraw/zinc/09/58/62/607095862.db2.gz IHVBRZLWCTZRTQ-UHFFFAOYSA-N -2 3 391.840 2.088 20 0 GEADHL CC(C)(C(=O)[O-])c1ccc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819891754 607109587 /nfs/dbraw/zinc/10/95/87/607109587.db2.gz GCCPGVUGNOMORB-UHFFFAOYSA-N -2 3 381.392 2.246 20 0 GEADHL O=S(=O)([N-]c1cccc(OCCF)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823589190 607113701 /nfs/dbraw/zinc/11/37/01/607113701.db2.gz RWZICFXFIYLEQR-UHFFFAOYSA-N -2 3 399.354 2.294 20 0 GEADHL O=S(=O)([N-]c1cccc(OCCF)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823589190 607113703 /nfs/dbraw/zinc/11/37/03/607113703.db2.gz RWZICFXFIYLEQR-UHFFFAOYSA-N -2 3 399.354 2.294 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)n[nH]c1C1CC1 ZINC000822020381 607152594 /nfs/dbraw/zinc/15/25/94/607152594.db2.gz BHMJWPSITPPYJY-UHFFFAOYSA-N -2 3 379.833 2.230 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1nnc(-c2ccco2)s1 ZINC000822223923 607152755 /nfs/dbraw/zinc/15/27/55/607152755.db2.gz PECLKMSFXCIVGT-UHFFFAOYSA-N -2 3 389.422 2.087 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1nnc(-c2ccco2)s1 ZINC000822223923 607152756 /nfs/dbraw/zinc/15/27/56/607152756.db2.gz PECLKMSFXCIVGT-UHFFFAOYSA-N -2 3 389.422 2.087 20 0 GEADHL CCc1cc(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)oc1CC ZINC000821469374 607157994 /nfs/dbraw/zinc/15/79/94/607157994.db2.gz DOXACGKUHHTYFM-UHFFFAOYSA-N -2 3 389.437 2.012 20 0 GEADHL CCc1cc(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)oc1CC ZINC000821469374 607157997 /nfs/dbraw/zinc/15/79/97/607157997.db2.gz DOXACGKUHHTYFM-UHFFFAOYSA-N -2 3 389.437 2.012 20 0 GEADHL O=C([O-])c1ccc(Cl)c(NS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823387527 607206936 /nfs/dbraw/zinc/20/69/36/607206936.db2.gz OAJLZLINNYKNCE-UHFFFAOYSA-N -2 3 393.812 2.160 20 0 GEADHL O=C([O-])c1ccc(Cl)c(NS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823387527 607206937 /nfs/dbraw/zinc/20/69/37/607206937.db2.gz OAJLZLINNYKNCE-UHFFFAOYSA-N -2 3 393.812 2.160 20 0 GEADHL CC(C)n1cnc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC(F)F)c1 ZINC000824377984 607816719 /nfs/dbraw/zinc/81/67/19/607816719.db2.gz VGNQERRZBXGECC-UHFFFAOYSA-N -2 3 399.383 2.046 20 0 GEADHL Cc1ncc(S(=O)(=O)[N-]c2cc(-c3nnn[n-]3)ccc2OC(F)F)s1 ZINC000826330320 607846421 /nfs/dbraw/zinc/84/64/21/607846421.db2.gz OKSVHSZESDLSIO-UHFFFAOYSA-N -2 3 388.381 2.034 20 0 GEADHL Cc1ncc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC(F)F)s1 ZINC000826330320 607846422 /nfs/dbraw/zinc/84/64/22/607846422.db2.gz OKSVHSZESDLSIO-UHFFFAOYSA-N -2 3 388.381 2.034 20 0 GEADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)cc1F ZINC000826462214 607847914 /nfs/dbraw/zinc/84/79/14/607847914.db2.gz RELJBVZJJJOEDS-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cc1F ZINC000826462214 607847915 /nfs/dbraw/zinc/84/79/15/607847915.db2.gz RELJBVZJJJOEDS-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL O=C([O-])c1ccc2c(c1)nc1n(c2=O)CCC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826461760 607884392 /nfs/dbraw/zinc/88/43/92/607884392.db2.gz GGDSQDPDXQQNLU-FMIVXFBMSA-N -2 3 386.371 2.219 20 0 GEADHL O=C([O-])c1ccc2c(c1)nc1n(c2=O)CCC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826461760 607884393 /nfs/dbraw/zinc/88/43/93/607884393.db2.gz GGDSQDPDXQQNLU-FMIVXFBMSA-N -2 3 386.371 2.219 20 0 GEADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000826450263 607922736 /nfs/dbraw/zinc/92/27/36/607922736.db2.gz DJIYENCFFZMCEV-VNHYZAJKSA-N -2 3 389.481 2.278 20 0 GEADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000826450263 607922737 /nfs/dbraw/zinc/92/27/37/607922737.db2.gz DJIYENCFFZMCEV-VNHYZAJKSA-N -2 3 389.481 2.278 20 0 GEADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000826450376 607922905 /nfs/dbraw/zinc/92/29/05/607922905.db2.gz JNWZLOPFITZYFL-NWANDNLSSA-N -2 3 389.481 2.278 20 0 GEADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000826450376 607922906 /nfs/dbraw/zinc/92/29/06/607922906.db2.gz JNWZLOPFITZYFL-NWANDNLSSA-N -2 3 389.481 2.278 20 0 GEADHL O=C([N-]c1nnc(SCc2ccc(-c3nn[n-]n3)cc2)s1)c1cnco1 ZINC000826460466 607978093 /nfs/dbraw/zinc/97/80/93/607978093.db2.gz DROQVHFGDXYDBF-UHFFFAOYSA-N -2 3 386.422 2.251 20 0 GEADHL O=S(=O)([N-]c1cncc2ccccc21)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826493028 607983158 /nfs/dbraw/zinc/98/31/58/607983158.db2.gz PGXNDGPUYKMYEX-UHFFFAOYSA-N -2 3 388.359 2.494 20 0 GEADHL O=S(=O)([N-]c1cncc2ccccc21)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826493028 607983159 /nfs/dbraw/zinc/98/31/59/607983159.db2.gz PGXNDGPUYKMYEX-UHFFFAOYSA-N -2 3 388.359 2.494 20 0 GEADHL O=S(=O)([N-]c1cccc(O)c1)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000826493229 608095295 /nfs/dbraw/zinc/09/52/95/608095295.db2.gz ZXKQJXVLMGPTMG-UHFFFAOYSA-N -2 3 385.327 2.392 20 0 GEADHL O=S(=O)([N-]c1cccc(O)c1)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000826493229 608095296 /nfs/dbraw/zinc/09/52/96/608095296.db2.gz ZXKQJXVLMGPTMG-UHFFFAOYSA-N -2 3 385.327 2.392 20 0 GEADHL CC[C@H](C)CCCCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000825059014 608141064 /nfs/dbraw/zinc/14/10/64/608141064.db2.gz BGVTUJXXIJMZAL-ZDUSSCGKSA-N -2 3 379.486 2.419 20 0 GEADHL CC[C@H](C)CCCCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000825059014 608141065 /nfs/dbraw/zinc/14/10/65/608141065.db2.gz BGVTUJXXIJMZAL-ZDUSSCGKSA-N -2 3 379.486 2.419 20 0 GEADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(-c2ccccc2)o1 ZINC000826450714 608141553 /nfs/dbraw/zinc/14/15/53/608141553.db2.gz ZYNYTIPQKDGDNJ-UHFFFAOYSA-N -2 3 395.400 2.245 20 0 GEADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2ccccc2)o1 ZINC000826450714 608141554 /nfs/dbraw/zinc/14/15/54/608141554.db2.gz ZYNYTIPQKDGDNJ-UHFFFAOYSA-N -2 3 395.400 2.245 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)nn1-c1ccccc1 ZINC000826280343 608220120 /nfs/dbraw/zinc/22/01/20/608220120.db2.gz YBTUIGRWQYYATH-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)nn1-c1ccccc1 ZINC000826280343 608220121 /nfs/dbraw/zinc/22/01/21/608220121.db2.gz YBTUIGRWQYYATH-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cccnc1OCC(F)F ZINC000826256105 608236962 /nfs/dbraw/zinc/23/69/62/608236962.db2.gz VDEUOUWXSQTYRJ-UHFFFAOYSA-N -2 3 396.379 2.015 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cccnc1OCC(F)F ZINC000826256105 608236963 /nfs/dbraw/zinc/23/69/63/608236963.db2.gz VDEUOUWXSQTYRJ-UHFFFAOYSA-N -2 3 396.379 2.015 20 0 GEADHL O=S(=O)([N-]c1ccc(F)cc1OCC(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000826492892 608296503 /nfs/dbraw/zinc/29/65/03/608296503.db2.gz KAERCIXAOSVPLH-UHFFFAOYSA-N -2 3 399.354 2.451 20 0 GEADHL CSc1cc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)ccn1 ZINC000826230153 608326122 /nfs/dbraw/zinc/32/61/22/608326122.db2.gz HBINFYCBMQTVCJ-UHFFFAOYSA-N -2 3 382.858 2.438 20 0 GEADHL CSc1cc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)ccn1 ZINC000826230153 608326124 /nfs/dbraw/zinc/32/61/24/608326124.db2.gz HBINFYCBMQTVCJ-UHFFFAOYSA-N -2 3 382.858 2.438 20 0 GEADHL CSc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)ccn1 ZINC000826230052 608326340 /nfs/dbraw/zinc/32/63/40/608326340.db2.gz BOWBWYKJRPNKFA-UHFFFAOYSA-N -2 3 382.858 2.438 20 0 GEADHL CSc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)ccn1 ZINC000826230052 608326342 /nfs/dbraw/zinc/32/63/42/608326342.db2.gz BOWBWYKJRPNKFA-UHFFFAOYSA-N -2 3 382.858 2.438 20 0 GEADHL CCOC(=O)c1cnc(C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)c(C(=O)[O-])c1 ZINC000825564604 608386395 /nfs/dbraw/zinc/38/63/95/608386395.db2.gz AWOGMRFYGKZBKV-GQCTYLIASA-N -2 3 395.375 2.316 20 0 GEADHL CCOC(=O)c1cnc(C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)c(C(=O)[O-])c1 ZINC000825564604 608386397 /nfs/dbraw/zinc/38/63/97/608386397.db2.gz AWOGMRFYGKZBKV-GQCTYLIASA-N -2 3 395.375 2.316 20 0 GEADHL Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824857521 608493663 /nfs/dbraw/zinc/49/36/63/608493663.db2.gz DHJAYBSYXRJUBU-OAHLLOKOSA-N -2 3 395.810 2.498 20 0 GEADHL Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824857521 608493664 /nfs/dbraw/zinc/49/36/64/608493664.db2.gz DHJAYBSYXRJUBU-OAHLLOKOSA-N -2 3 395.810 2.498 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)cn1 ZINC000826279772 609161317 /nfs/dbraw/zinc/16/13/17/609161317.db2.gz BPHROLFOUFZGRV-UHFFFAOYSA-N -2 3 384.343 2.390 20 0 GEADHL CCOC(=O)c1ccsc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825564676 609339535 /nfs/dbraw/zinc/33/95/35/609339535.db2.gz BRHLGLWBHDZXBZ-UHFFFAOYSA-N -2 3 393.450 2.214 20 0 GEADHL CCOC(=O)c1ccsc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825564676 609339538 /nfs/dbraw/zinc/33/95/38/609339538.db2.gz BRHLGLWBHDZXBZ-UHFFFAOYSA-N -2 3 393.450 2.214 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nnn[n-]2)c1F ZINC000826304106 609371710 /nfs/dbraw/zinc/37/17/10/609371710.db2.gz WOTJEYKPHSHWKR-UHFFFAOYSA-N -2 3 379.421 2.067 20 0 GEADHL O=S(=O)([N-]c1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)nc1 ZINC000826492753 609455922 /nfs/dbraw/zinc/45/59/22/609455922.db2.gz BCUUIXQATRWRQV-UHFFFAOYSA-N -2 3 388.306 2.220 20 0 GEADHL O=S(=O)([N-]c1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(C(F)(F)F)nc1 ZINC000826492753 609455924 /nfs/dbraw/zinc/45/59/24/609455924.db2.gz BCUUIXQATRWRQV-UHFFFAOYSA-N -2 3 388.306 2.220 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)nn1[C@@H](C)C1CC1 ZINC000826280155 609469599 /nfs/dbraw/zinc/46/95/99/609469599.db2.gz PJVPIOFBAIVLPS-LBPRGKRZSA-N -2 3 387.469 2.452 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)nn1[C@@H](C)C1CC1 ZINC000826280155 609469600 /nfs/dbraw/zinc/46/96/00/609469600.db2.gz PJVPIOFBAIVLPS-LBPRGKRZSA-N -2 3 387.469 2.452 20 0 GEADHL Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826315474 609470391 /nfs/dbraw/zinc/47/03/91/609470391.db2.gz KQTRTHYFOSSRTF-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL CCn1nc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cc1C1CC1 ZINC000825806916 609528477 /nfs/dbraw/zinc/52/84/77/609528477.db2.gz KCCRPKUFSMUPIH-UHFFFAOYSA-N -2 3 393.860 2.415 20 0 GEADHL CCn1nc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cc1C1CC1 ZINC000825806916 609528478 /nfs/dbraw/zinc/52/84/78/609528478.db2.gz KCCRPKUFSMUPIH-UHFFFAOYSA-N -2 3 393.860 2.415 20 0 GEADHL CCc1ncc(S(=O)(=O)[N-]c2cc(C)ccc2[N-]S(C)(=O)=O)s1 ZINC000460759623 650445318 /nfs/dbraw/zinc/44/53/18/650445318.db2.gz VHNMTJFDYRBPSZ-UHFFFAOYSA-N -2 3 375.497 2.186 20 0 GEADHL Cc1sc(-c2ccco2)nc1C(=O)[N-]c1nnc([N-]S(C)(=O)=O)s1 ZINC000515879046 650595423 /nfs/dbraw/zinc/59/54/23/650595423.db2.gz GNFKBYQGXIWPPJ-UHFFFAOYSA-N -2 3 385.452 2.187 20 0 GEADHL Cc1nc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)sc1C ZINC000524298737 650640274 /nfs/dbraw/zinc/64/02/74/650640274.db2.gz VHJSDHBYPMHICM-UHFFFAOYSA-N -2 3 379.460 2.071 20 0 GEADHL Cc1c(Cl)cc(S(=O)(=O)[N-][N-]C(=O)c2ccccc2F)cc1[N+](=O)[O-] ZINC000007419462 642339782 /nfs/dbraw/zinc/33/97/82/642339782.db2.gz AESLIGYZUQBGAV-UHFFFAOYSA-N -2 3 387.776 2.319 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2scnc2C2CC2)c(F)c1 ZINC000534237723 650771238 /nfs/dbraw/zinc/77/12/38/650771238.db2.gz VVJYNPCCYRPMPH-UHFFFAOYSA-N -2 3 391.471 2.332 20 0 GEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2SCCC(N)=O)c1 ZINC000537196062 650811562 /nfs/dbraw/zinc/81/15/62/650811562.db2.gz PPDQFBWQKJOULN-UHFFFAOYSA-N -2 3 382.463 2.169 20 0 GEADHL CSCC[C@@H]([N-]S(=O)(=O)c1cc(C)c(Br)s1)C(=O)[O-] ZINC000126248265 643725382 /nfs/dbraw/zinc/72/53/82/643725382.db2.gz QZFXGAWYJIRJBO-SSDOTTSWSA-N -2 3 388.330 2.304 20 0 GEADHL C[N-]S(=O)(=O)c1cc(C(=O)[N-]c2nc(-c3ccc(F)cc3)ns2)co1 ZINC000133993629 643899788 /nfs/dbraw/zinc/89/97/88/643899788.db2.gz CZSFIFGJHNLQTC-UHFFFAOYSA-N -2 3 382.398 2.098 20 0 GEADHL CCc1cnc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)s1 ZINC000185092239 645034572 /nfs/dbraw/zinc/03/45/72/645034572.db2.gz UPHXUEOHHWBVPJ-UHFFFAOYSA-N -2 3 376.406 2.203 20 0 GEADHL O=C([N-][N-]S(=O)(=O)c1cccc(Br)c1)NCc1ccccc1 ZINC000189126823 645133487 /nfs/dbraw/zinc/13/34/87/645133487.db2.gz PSXLDRMWIXACTB-UHFFFAOYSA-N -2 3 384.255 2.142 20 0 GEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(Cl)c2)c1 ZINC000547581453 651034832 /nfs/dbraw/zinc/03/48/32/651034832.db2.gz DMDDILSTKBYOHU-GFCCVEGCSA-N -2 3 389.838 2.292 20 0 GEADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-]CCC(C)(C)CCC(=O)[O-])s1 ZINC000547614848 651039006 /nfs/dbraw/zinc/03/90/06/651039006.db2.gz PHXUAQLZVHSPKB-UHFFFAOYSA-N -2 3 393.483 2.103 20 0 GEADHL O=C([O-])c1ccc(Br)c([N-]S(=O)(=O)c2cnc3n2CCC3)c1 ZINC000547900889 651053191 /nfs/dbraw/zinc/05/31/91/651053191.db2.gz CNNFNCDFWSEPKO-UHFFFAOYSA-N -2 3 386.227 2.091 20 0 GEADHL O=C([O-])[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000547935865 651056669 /nfs/dbraw/zinc/05/66/69/651056669.db2.gz CEMIVCXEZFDBDI-CYBMUJFWSA-N -2 3 378.431 2.377 20 0 GEADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@@](C)(CO)CC(=O)[O-] ZINC000548030581 651061647 /nfs/dbraw/zinc/06/16/47/651061647.db2.gz KVYIPPUXSYOVPC-HNNXBMFYSA-N -2 3 375.830 2.146 20 0 GEADHL COC(=O)c1sc(S(=O)(=O)[N-]CC[C@H](C)CC(=O)[O-])c(C)c1Cl ZINC000278768188 646547804 /nfs/dbraw/zinc/54/78/04/646547804.db2.gz SJYNDFKMHDJGFJ-ZETCQYMHSA-N -2 3 383.875 2.276 20 0 GEADHL Cc1cc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Br)no1 ZINC000318353848 647286369 /nfs/dbraw/zinc/28/63/69/647286369.db2.gz WVTODACUBSOEEX-UHFFFAOYSA-N -2 3 389.227 2.231 20 0 GEADHL Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccccc1[N-]S(C)(=O)=O ZINC000323596461 647297979 /nfs/dbraw/zinc/29/79/79/647297979.db2.gz GHVIZSKRUJVJBP-UHFFFAOYSA-N -2 3 375.859 2.216 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCOC1 ZINC000548200894 651067859 /nfs/dbraw/zinc/06/78/59/651067859.db2.gz VBUAQAGQHNYQAW-HQJQHLMTSA-N -2 3 387.763 2.127 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCCCC2)s1 ZINC000548246063 651072160 /nfs/dbraw/zinc/07/21/60/651072160.db2.gz OFCAYXDWVHILEO-UHFFFAOYSA-N -2 3 375.468 2.238 20 0 GEADHL Cc1ncc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(Br)cc2)s1 ZINC000548533190 651079378 /nfs/dbraw/zinc/07/93/78/651079378.db2.gz FHPOWEOYWHRKAP-NSHDSACASA-N -2 3 391.268 2.318 20 0 GEADHL CCC[C@H](O)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000560419693 651309259 /nfs/dbraw/zinc/30/92/59/651309259.db2.gz PVWSYQSBVGYHLK-GXSJLCMTSA-N -2 3 389.779 2.251 20 0 GEADHL CSc1ccncc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000610657362 651675834 /nfs/dbraw/zinc/67/58/34/651675834.db2.gz FYJNHPMHMYORBQ-UHFFFAOYSA-N -2 3 391.471 2.115 20 0 GEADHL CC(C)(C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(F)(F)F ZINC000569870009 651730245 /nfs/dbraw/zinc/73/02/45/651730245.db2.gz NUPXDLNFQDBQBW-UHFFFAOYSA-N -2 3 392.396 2.064 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C(C)(C)C(F)F)c(F)c1 ZINC000649967980 651838506 /nfs/dbraw/zinc/83/85/06/651838506.db2.gz CJBYRSXEUGWNLQ-UHFFFAOYSA-N -2 3 388.433 2.299 20 0 GEADHL COC1(CS(=O)(=O)[N-]c2c(C)ccc(Cl)c2C(=O)[O-])CCOCC1 ZINC000650185494 651844443 /nfs/dbraw/zinc/84/44/43/651844443.db2.gz HWVQXSFFYMIOTK-UHFFFAOYSA-N -2 3 377.846 2.284 20 0 GEADHL Cc1oc(S(=O)(=O)[N-]CCc2ccccc2OC(F)F)cc1C(=O)[O-] ZINC000571759295 651851833 /nfs/dbraw/zinc/85/18/33/651851833.db2.gz JEKYTIKFTXBEDF-UHFFFAOYSA-N -2 3 375.349 2.409 20 0 GEADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000573202824 651941226 /nfs/dbraw/zinc/94/12/26/651941226.db2.gz JCDQLSKGJBGZBX-WCQYABFASA-N -2 3 382.463 2.288 20 0 GEADHL C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cn1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653494243 651945038 /nfs/dbraw/zinc/94/50/38/651945038.db2.gz VTKBXAWILZXGCS-DVVUODLYSA-N -2 3 391.287 2.258 20 0 GEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cc(C)ccc2Br)c[n-]1 ZINC000618907075 652037946 /nfs/dbraw/zinc/03/79/46/652037946.db2.gz NHBWAMGENQCNMB-UHFFFAOYSA-N -2 3 388.243 2.458 20 0 GEADHL CCc1cccc2c(CC[N-]S(=O)(=O)c3csnc3C(=O)[O-])c[nH]c21 ZINC000577277818 652175524 /nfs/dbraw/zinc/17/55/24/652175524.db2.gz AMUYQZHIQJNWRZ-UHFFFAOYSA-N -2 3 379.463 2.406 20 0 GEADHL O=C([O-])c1cc(Br)ccc1[N-]S(=O)(=O)CCOC(F)(F)F ZINC000580925461 652396544 /nfs/dbraw/zinc/39/65/44/652396544.db2.gz UNYNPGGJVUMECB-UHFFFAOYSA-N -2 3 392.149 2.425 20 0 GEADHL CCOC1(CS(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Cl)CCOCC1 ZINC000629292758 652484063 /nfs/dbraw/zinc/48/40/63/652484063.db2.gz XFBHNXACCMJFFI-UHFFFAOYSA-N -2 3 377.846 2.366 20 0 GEADHL Cc1nc(CC[N-]S(=O)(=O)c2ccc(C)c(F)c2F)sc1C(=O)[O-] ZINC000629293945 652484424 /nfs/dbraw/zinc/48/44/24/652484424.db2.gz QTSGJBVNXVIBRE-UHFFFAOYSA-N -2 3 376.406 2.257 20 0 GEADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@]2(C(=O)[O-])CCCOC2)c1Cl ZINC000630433220 652508686 /nfs/dbraw/zinc/50/86/86/652508686.db2.gz REKJFTWAQVAMOP-AWEZNQCLSA-N -2 3 382.265 2.462 20 0 GEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000584409136 652520195 /nfs/dbraw/zinc/52/01/95/652520195.db2.gz MATYLHQLGABBHL-DGCLKSJQSA-N -2 3 382.463 2.288 20 0 GEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cc(F)ccc2Br)c[n-]1 ZINC000585730207 652534927 /nfs/dbraw/zinc/53/49/27/652534927.db2.gz DKGFORBCMJMMET-UHFFFAOYSA-N -2 3 392.206 2.289 20 0 GEADHL CO[C@H](CS(=O)(=O)[N-]c1cc(Br)cc(CC(=O)[O-])c1)C1CC1 ZINC000634797117 652667922 /nfs/dbraw/zinc/66/79/22/652667922.db2.gz RRZKFCBHIWQXNN-CYBMUJFWSA-N -2 3 392.271 2.243 20 0 GEADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)o1 ZINC000672787294 652843249 /nfs/dbraw/zinc/84/32/49/652843249.db2.gz UWHFMSOLYJNTRZ-UHFFFAOYSA-N -2 3 383.275 2.494 20 0 GEADHL NC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)c1 ZINC000767737199 652946992 /nfs/dbraw/zinc/94/69/92/652946992.db2.gz KWSDDZUCVXTDBI-UHFFFAOYSA-N -2 3 390.751 2.216 20 0 GEADHL Cn1ncc([N-]S(=O)(=O)/C=C/c2cccc(Br)c2)c1C(=O)[O-] ZINC000774621793 653244644 /nfs/dbraw/zinc/24/46/44/653244644.db2.gz LCPJXDMRTGWBOT-AATRIKPKSA-N -2 3 386.227 2.293 20 0 GEADHL Cn1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)nc1Cl ZINC000776519908 653353576 /nfs/dbraw/zinc/35/35/76/653353576.db2.gz DQPXKZSCHNPEJY-SNVBAGLBSA-N -2 3 397.762 2.197 20 0 GEADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@@H](C)CCC[C@@H](C)C(=O)[O-] ZINC000776574256 653360964 /nfs/dbraw/zinc/36/09/64/653360964.db2.gz PHSBBZCTKQBDTF-ZJUUUORDSA-N -2 3 392.861 2.079 20 0 GEADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-][C@H](CC(=O)[O-])CC(C)(C)C ZINC000776589207 653362143 /nfs/dbraw/zinc/36/21/43/653362143.db2.gz UTSBYPXDMLLRAM-SECBINFHSA-N -2 3 392.861 2.079 20 0 GEADHL CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000837287087 653418542 /nfs/dbraw/zinc/41/85/42/653418542.db2.gz AIVYYBBUDBSPPY-SECBINFHSA-N -2 3 385.667 2.275 20 0 GEADHL CC[C@@H](CC[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC)C(=O)[O-] ZINC000837291505 653421508 /nfs/dbraw/zinc/42/15/08/653421508.db2.gz JPVMHTGYKJJUBD-QMMMGPOBSA-N -2 3 398.250 2.376 20 0 GEADHL O=C([O-])C1([N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)CCCC1 ZINC000837294443 653423777 /nfs/dbraw/zinc/42/37/77/653423777.db2.gz VKXABEKMHJDRTO-UHFFFAOYSA-N -2 3 383.651 2.173 20 0 GEADHL COC1(CC[N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)CCC1 ZINC000840891445 653698128 /nfs/dbraw/zinc/69/81/28/653698128.db2.gz TVRBZZZFKLTXGB-UHFFFAOYSA-N -2 3 398.300 2.446 20 0 GEADHL CC(C)[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CCO1 ZINC000840892511 653698274 /nfs/dbraw/zinc/69/82/74/653698274.db2.gz VOXFFNQOBFBBQP-IINYFYTJSA-N -2 3 377.409 2.393 20 0 GEADHL COCC[C@@H](C)C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000840896355 653699162 /nfs/dbraw/zinc/69/91/62/653699162.db2.gz IIQVYZGEJBVTKC-SSDOTTSWSA-N -2 3 386.289 2.160 20 0 GEADHL C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)O1 ZINC000840898883 653699941 /nfs/dbraw/zinc/69/99/41/653699941.db2.gz XRESVKGPWOQPKY-RNFRBKRXSA-N -2 3 384.273 2.055 20 0 GEADHL CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)CCO1 ZINC000817573787 653714596 /nfs/dbraw/zinc/71/45/96/653714596.db2.gz RCUFDSPLKXBSSS-HTQZYQBOSA-N -2 3 398.300 2.445 20 0 GEADHL COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@@H](C(=O)[O-])C1 ZINC000864501323 653739338 /nfs/dbraw/zinc/73/93/38/653739338.db2.gz VLEWQVRWPWXWCN-WRXNHJIOSA-N -2 3 398.662 2.253 20 0 GEADHL CCn1nc(C)c(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)n1 ZINC000819158802 653744592 /nfs/dbraw/zinc/74/45/92/653744592.db2.gz ZZRRHQXICDXNCE-UHFFFAOYSA-N -2 3 393.252 2.090 20 0 GEADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-]C1([C@@H](C)C(=O)[O-])CC1 ZINC000844820978 653820402 /nfs/dbraw/zinc/82/04/02/653820402.db2.gz NPUHZCSOKFTUDP-ZETCQYMHSA-N -2 3 396.234 2.128 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nnn[n-]2)c1Cl ZINC000826301806 653949101 /nfs/dbraw/zinc/94/91/01/653949101.db2.gz QDKWFXTXAQVYSG-UHFFFAOYSA-N -2 3 383.842 2.009 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nn[n-]n2)c1Cl ZINC000826301806 653949104 /nfs/dbraw/zinc/94/91/04/653949104.db2.gz QDKWFXTXAQVYSG-UHFFFAOYSA-N -2 3 383.842 2.009 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nnn[n-]3)c(Br)cn2)cc1 ZINC000826293058 653949242 /nfs/dbraw/zinc/94/92/42/653949242.db2.gz YYKWYJJGAAIBMI-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)c(Br)cn2)cc1 ZINC000826293058 653949244 /nfs/dbraw/zinc/94/92/44/653949244.db2.gz YYKWYJJGAAIBMI-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]N=c2ccc(C(F)(F)F)c[nH]2)sc1C(=O)[O-] ZINC000917719945 654131864 /nfs/dbraw/zinc/13/18/64/654131864.db2.gz KVRKPKJLVHQDPE-UHFFFAOYSA-N -2 3 381.357 2.474 20 0 GEADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cccs2)c1 ZINC000920315929 654210331 /nfs/dbraw/zinc/21/03/31/654210331.db2.gz QAGHSUIXONGNNS-LLVKDONJSA-N -2 3 387.410 2.168 20 0 GEADHL C[C@H]([N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br)[C@H]1CCCOC1 ZINC000871937960 654285098 /nfs/dbraw/zinc/28/50/98/654285098.db2.gz ZYFVYPDFAFBDGH-YUMQZZPRSA-N -2 3 398.300 2.302 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2(CF)CCOCC2)cc(Cl)c1Cl ZINC000871968906 654295329 /nfs/dbraw/zinc/29/53/29/654295329.db2.gz TYVUCMRLBVQTQT-UHFFFAOYSA-N -2 3 386.228 2.489 20 0 GEADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-][C@H]2CC23CCOCC3)s1 ZINC000871970241 654295910 /nfs/dbraw/zinc/29/59/10/654295910.db2.gz KQMVSNBSMTXIDC-VIFPVBQESA-N -2 3 396.284 2.056 20 0 GEADHL CO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000871977252 654298056 /nfs/dbraw/zinc/29/80/56/654298056.db2.gz DFPISWQSIMZGEY-RKDXNWHRSA-N -2 3 398.300 2.445 20 0 GEADHL COCC1([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)CCCC1 ZINC000871980245 654299330 /nfs/dbraw/zinc/29/93/30/654299330.db2.gz AOUWSUQVJWYHBJ-UHFFFAOYSA-N -2 3 398.300 2.446 20 0 GEADHL COC1CC(CC[N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)C1 ZINC000871980708 654299666 /nfs/dbraw/zinc/29/96/66/654299666.db2.gz OPOGZKGDCFOXAX-UHFFFAOYSA-N -2 3 398.300 2.302 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2I)c[nH]1 ZINC000020480221 531583701 /nfs/dbraw/zinc/58/37/01/531583701.db2.gz BVXVTXCBSFABQI-UHFFFAOYSA-N -2 3 392.174 2.118 20 0 GEADHL O=C(NCC[N-]S(=O)(=O)c1cccs1)c1ccc2ccccc2c1[O-] ZINC000154851130 531638433 /nfs/dbraw/zinc/63/84/33/531638433.db2.gz NDOHZZKPFJVDER-UHFFFAOYSA-N -2 3 376.459 2.315 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCCCO2)c(Br)s1 ZINC000042818024 531671983 /nfs/dbraw/zinc/67/19/83/531671983.db2.gz JCYVOUBTBIYWNX-SSDOTTSWSA-N -2 3 384.273 2.056 20 0 GEADHL C[C@@]1(c2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2)NC(=O)[N-]C1=O ZINC000046406163 531703974 /nfs/dbraw/zinc/70/39/74/531703974.db2.gz JNRQSFMDJHEDKH-INIZCTEOSA-N -2 3 379.825 2.195 20 0 GEADHL Cc1cc(S(=O)(=O)[N-][N-]C(=O)CCCc2ccccc2)sc1C(=O)[O-] ZINC000068078302 531895645 /nfs/dbraw/zinc/89/56/45/531895645.db2.gz WSESSUPHBYHBJM-UHFFFAOYSA-N -3 3 382.463 2.087 20 0 GEADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cc1)c1ccccc1Br ZINC000123635526 532104019 /nfs/dbraw/zinc/10/40/19/532104019.db2.gz IABWLIIYYKAFHW-UHFFFAOYSA-N -2 3 380.227 2.430 20 0 GEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1ccccc1Br ZINC000123635526 532104023 /nfs/dbraw/zinc/10/40/23/532104023.db2.gz IABWLIIYYKAFHW-UHFFFAOYSA-N -2 3 380.227 2.430 20 0 GEADHL CCC(CC)([N-]S(=O)(=O)c1cc(Br)ccc1OC)C(=O)[O-] ZINC000129532156 532180960 /nfs/dbraw/zinc/18/09/60/532180960.db2.gz XEDLSYKTIZPRCP-UHFFFAOYSA-N -2 3 380.260 2.379 20 0 GEADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)[C@H](C)C(=O)[O-] ZINC000133172581 532228962 /nfs/dbraw/zinc/22/89/62/532228962.db2.gz PSACIRDUOHPWFV-IUCAKERBSA-N -2 3 380.260 2.235 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)s1 ZINC000150868340 532303457 /nfs/dbraw/zinc/30/34/57/532303457.db2.gz ZDUOBVUZMXEIAL-UHFFFAOYSA-N -2 3 390.483 2.437 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)[C@@H]1CCOC2(CCC2)C1 ZINC000372268151 532379969 /nfs/dbraw/zinc/37/99/69/532379969.db2.gz OYGSKEUTEMTQHU-SKDRFNHKSA-N -2 3 379.887 2.482 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1ccccc1F ZINC000558472930 532392508 /nfs/dbraw/zinc/39/25/08/532392508.db2.gz FDICDQSSGMNWAG-LLVKDONJSA-N -2 3 378.303 2.344 20 0 GEADHL COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)C2CC2)c1 ZINC000558685855 532397571 /nfs/dbraw/zinc/39/75/71/532397571.db2.gz BUWKSLDOJADLNL-AMIZOPFISA-N -2 3 392.271 2.235 20 0 GEADHL C[C@@H]([C@@H]([N-]S(=O)(=O)c1ccc(Br)c(F)c1)C(=O)[O-])C1CC1 ZINC000558685395 532396994 /nfs/dbraw/zinc/39/69/94/532396994.db2.gz ZMBIKFZOLAGDBP-JMCQJSRRSA-N -2 3 380.235 2.366 20 0 GEADHL Cc1ncc(S(=O)(=O)[N-][C@@H]2CCCN(c3ccc(C(=O)[O-])cc3)C2)s1 ZINC000518002984 532434186 /nfs/dbraw/zinc/43/41/86/532434186.db2.gz UQQSAXVVJJTZEM-CYBMUJFWSA-N -2 3 381.479 2.097 20 0 GEADHL CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC000518630986 532445077 /nfs/dbraw/zinc/44/50/77/532445077.db2.gz KKFKCNSASMYELW-UHFFFAOYSA-N -2 3 382.825 2.128 20 0 GEADHL COc1ncc(S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F)cc1Cl ZINC000650419770 532445434 /nfs/dbraw/zinc/44/54/34/532445434.db2.gz VFYSQGXRNOQATC-SSDOTTSWSA-N -2 3 390.767 2.065 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]C2([C@@H](C)C(=O)[O-])CC2)c(F)cc1Br ZINC000650428045 532446575 /nfs/dbraw/zinc/44/65/75/532446575.db2.gz ZUEHYDINZPCLNH-QMMMGPOBSA-N -2 3 380.235 2.428 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@H](CC2CC2)C(=O)[O-])cc1Cl ZINC000650431299 532446646 /nfs/dbraw/zinc/44/66/46/532446646.db2.gz NYVBCZRHZKBYPE-JTQLQIEISA-N -2 3 392.836 2.217 20 0 GEADHL COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C1([C@H](C)C(=O)[O-])CC1 ZINC000650427619 532446750 /nfs/dbraw/zinc/44/67/50/532446750.db2.gz NVGXPPZYCFYJSP-GHMZBOCLSA-N -2 3 391.873 2.285 20 0 GEADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CC1(OC)CCC1)C(=O)[O-] ZINC000650433355 532447409 /nfs/dbraw/zinc/44/74/09/532447409.db2.gz XVPPZZVQNXCMNI-NSHDSACASA-N -2 3 377.846 2.039 20 0 GEADHL COc1ncc(S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F)cc1Cl ZINC000650419771 532445747 /nfs/dbraw/zinc/44/57/47/532445747.db2.gz VFYSQGXRNOQATC-ZETCQYMHSA-N -2 3 390.767 2.065 20 0 GEADHL CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H](CC2CCCCC2)C(=O)[O-])s1 ZINC000282227323 532449632 /nfs/dbraw/zinc/44/96/32/532449632.db2.gz BMRDKIOKXGPEDG-CQSZACIVSA-N -2 3 388.511 2.086 20 0 GEADHL Cc1nc(CC[N-]S(=O)(=O)c2cnccc2C(F)(F)F)sc1C(=O)[O-] ZINC000682896509 532450356 /nfs/dbraw/zinc/45/03/56/532450356.db2.gz MUUMAMIWTOQNDI-UHFFFAOYSA-N -2 3 395.384 2.085 20 0 GEADHL CCc1cc(=O)[n-]c(S[C@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)n1 ZINC000428703985 532459296 /nfs/dbraw/zinc/45/92/96/532459296.db2.gz YUWPPUGEEMVPFT-SNVBAGLBSA-N -2 3 381.479 2.480 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@H]2[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000562546832 532472376 /nfs/dbraw/zinc/47/23/76/532472376.db2.gz OZMNEEOJYDAYCK-JJLQDPRZSA-N -2 3 376.475 2.054 20 0 GEADHL O=C([N-]c1nnc([N-]S(=O)(=O)c2ccccc2)s1)c1cncc(F)c1 ZINC000468819652 532476313 /nfs/dbraw/zinc/47/63/13/532476313.db2.gz DWUXPRGPUGKPER-UHFFFAOYSA-N -2 3 379.398 2.125 20 0 GEADHL O=C([O-])[C@H](C[N-]S(=O)(=O)C[C@H]1CCCC1(F)F)Oc1ccc(F)cc1 ZINC000562644847 532476402 /nfs/dbraw/zinc/47/64/02/532476402.db2.gz LGWSLCKNZBIVFV-MFKMUULPSA-N -2 3 381.372 2.013 20 0 GEADHL O=C([O-])C1([N-]S(=O)(=O)c2cccc(Cl)c2Br)CCOCC1 ZINC000374444589 532503523 /nfs/dbraw/zinc/50/35/23/532503523.db2.gz VELRZTNXNYBCBO-UHFFFAOYSA-N -2 3 398.662 2.015 20 0 GEADHL COC1(C[C@H]([N-]S(=O)(=O)c2cscc2Br)C(=O)[O-])CCC1 ZINC000630421934 532519055 /nfs/dbraw/zinc/51/90/55/532519055.db2.gz WDBIGTCXMRZICC-VIFPVBQESA-N -2 3 398.300 2.201 20 0 GEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)c2ccccc2)c1 ZINC000594679466 532519372 /nfs/dbraw/zinc/51/93/72/532519372.db2.gz DXIYXASKFMDABW-HZMBPMFUSA-N -2 3 383.447 2.070 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCCO1 ZINC000630421448 532518530 /nfs/dbraw/zinc/51/85/30/532518530.db2.gz FMYWXPNGMPKNTC-GXSJLCMTSA-N -2 3 387.763 2.269 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)[C@@H]1CCCO1 ZINC000630421337 532518541 /nfs/dbraw/zinc/51/85/41/532518541.db2.gz DSZSMVJNWQVOPK-GXSJLCMTSA-N -2 3 398.662 2.013 20 0 GEADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1CCO[C@@H]1c1ccccc1 ZINC000564917273 532536954 /nfs/dbraw/zinc/53/69/54/532536954.db2.gz OIGOHDZGJPBMQA-BXUZGUMPSA-N -2 3 383.447 2.263 20 0 GEADHL Cc1ncsc1[C@H]([N-]S(=O)(=O)c1ccccc1Br)C(=O)[O-] ZINC000526060678 532537861 /nfs/dbraw/zinc/53/78/61/532537861.db2.gz MPTYUHVJDPDBJM-JTQLQIEISA-N -2 3 391.268 2.318 20 0 GEADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C[S@@](C)=O)c1 ZINC000522358299 532524271 /nfs/dbraw/zinc/52/42/71/532524271.db2.gz XRHWIDNCEDRDIV-XMMPIXPASA-N -2 3 383.447 2.078 20 0 GEADHL CC(C)(C)n1ncnc1C[N-]S(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC000283723642 532552632 /nfs/dbraw/zinc/55/26/32/532552632.db2.gz BMQVHDSKTPRFKN-UHFFFAOYSA-N -2 3 390.824 2.002 20 0 GEADHL CC[C@H](CC[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2)C(=O)[O-] ZINC000654788063 532569066 /nfs/dbraw/zinc/56/90/66/532569066.db2.gz SVMQJEZZSZWBKQ-SECBINFHSA-N -2 3 392.271 2.163 20 0 GEADHL C[N-]S(=O)(=O)c1cc(C(=O)[N-]c2nnc(-c3ccccc3)s2)c(C)o1 ZINC000434208317 532590801 /nfs/dbraw/zinc/59/08/01/532590801.db2.gz RJFLUYBEBBHULD-UHFFFAOYSA-N -2 3 378.435 2.267 20 0 GEADHL CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]C[C@H](CC(C)C)C(=O)[O-])c1 ZINC000262459993 532595035 /nfs/dbraw/zinc/59/50/35/532595035.db2.gz MELZNJBTLFNHJF-LBPRGKRZSA-N -2 3 375.418 2.028 20 0 GEADHL CCc1ccc(O)c([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)c1 ZINC000433615323 532575328 /nfs/dbraw/zinc/57/53/28/532575328.db2.gz CRZKZXBCXWBOQU-UHFFFAOYSA-N -2 3 388.442 2.266 20 0 GEADHL COc1ccc(Br)c(S(=O)(=O)[N-][C@H](CC2CCC2)C(=O)[O-])c1 ZINC000530420790 532619196 /nfs/dbraw/zinc/61/91/96/532619196.db2.gz IFMNJFJWECIBLW-GFCCVEGCSA-N -2 3 392.271 2.379 20 0 GEADHL O=C([O-])[C@@H](CC1CCC1)[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000530472790 532621289 /nfs/dbraw/zinc/62/12/89/532621289.db2.gz JWPJMDQATYVNBS-CYBMUJFWSA-N -2 3 386.857 2.146 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-][C@H](C[C@H]2CCCO2)C(F)(F)F)c1C(=O)[O-] ZINC000656180757 532608642 /nfs/dbraw/zinc/60/86/42/532608642.db2.gz LFKKUFBSHIMUOZ-ZYHUDNBSSA-N -2 3 381.372 2.472 20 0 GEADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C[C@H]1CCC2(CCCC2)O1 ZINC000656182299 532609805 /nfs/dbraw/zinc/60/98/05/532609805.db2.gz ZOELNYGZOUNXSN-SNVBAGLBSA-N -2 3 375.468 2.225 20 0 GEADHL CO[C@@H](CS(=O)(=O)[N-]c1c(C)ccc(Cl)c1C(=O)[O-])[C@@H]1CCOC1 ZINC000656623619 532625444 /nfs/dbraw/zinc/62/54/44/532625444.db2.gz HZKRJVSHGNXLFP-PWSUYJOCSA-N -2 3 377.846 2.140 20 0 GEADHL COc1cccc(C(F)(F)C[N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)n1 ZINC000566919361 532630029 /nfs/dbraw/zinc/63/00/29/532630029.db2.gz SAFGNVLLOZZRLW-UHFFFAOYSA-N -2 3 392.405 2.229 20 0 GEADHL O=C([O-])C[C@H](CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1)C(F)(F)F ZINC000284929478 532633317 /nfs/dbraw/zinc/63/33/17/532633317.db2.gz CIIYSEOOJHKAJV-ZETCQYMHSA-N -2 3 394.293 2.422 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2nnc(-c3ccco3)s2)ccc1[O-] ZINC000436866269 532646321 /nfs/dbraw/zinc/64/63/21/532646321.db2.gz XOEGDDWHJOAFTC-UHFFFAOYSA-N -2 3 381.391 2.091 20 0 GEADHL O=C(Nc1nnc(SCCO)[n-]1)c1cc(Br)cc(Cl)c1[O-] ZINC000436865772 532645262 /nfs/dbraw/zinc/64/52/62/532645262.db2.gz ULCGLDDIYSURHY-UHFFFAOYSA-N -2 3 393.650 2.263 20 0 GEADHL O=C(Nc1nc(SCCO)n[n-]1)c1cc(Br)cc(Cl)c1[O-] ZINC000436865772 532645265 /nfs/dbraw/zinc/64/52/65/532645265.db2.gz ULCGLDDIYSURHY-UHFFFAOYSA-N -2 3 393.650 2.263 20 0 GEADHL O=C(Nc1n[n-]c(SCCO)n1)c1cc(Br)cc(Cl)c1[O-] ZINC000436865772 532645270 /nfs/dbraw/zinc/64/52/70/532645270.db2.gz ULCGLDDIYSURHY-UHFFFAOYSA-N -2 3 393.650 2.263 20 0 GEADHL C/C=C\C[C@H]([N-]S(=O)(=O)c1cc(Br)cc2c1OCC2)C(=O)[O-] ZINC000567808002 532665865 /nfs/dbraw/zinc/66/58/65/532665865.db2.gz BZXPYRCIYPSAKK-QUCGXOGASA-N -2 3 390.255 2.082 20 0 GEADHL CCOC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1)C(=O)[O-] ZINC000568704577 532684569 /nfs/dbraw/zinc/68/45/69/532684569.db2.gz PJKUCWVWQTWIPT-CYBMUJFWSA-N -2 3 391.873 2.287 20 0 GEADHL CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cccc(O)c2)cc1F ZINC000535686289 532686283 /nfs/dbraw/zinc/68/62/83/532686283.db2.gz PIBCYAIKGAHCNJ-UHFFFAOYSA-N -2 3 388.442 2.482 20 0 GEADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C[C@@H](C)Oc1ccccc1F ZINC000572637249 532707885 /nfs/dbraw/zinc/70/78/85/532707885.db2.gz XWHIEOLUZKLNIV-SECBINFHSA-N -2 3 389.426 2.340 20 0 GEADHL COc1cc(F)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccs2)cc1OC ZINC000392473831 532708127 /nfs/dbraw/zinc/70/81/27/532708127.db2.gz VJJPNACYXSPOLF-CYBMUJFWSA-N -2 3 375.399 2.009 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@H]2CC23CCCCC3)c(F)c1 ZINC000538844106 532721229 /nfs/dbraw/zinc/72/12/29/532721229.db2.gz ZCXYAVWYOSARFS-CQSZACIVSA-N -2 3 376.475 2.198 20 0 GEADHL CCOc1cccc(S(=O)(=O)[N-]c2ccc(F)c([N-]S(C)(=O)=O)c2)c1 ZINC000443402962 532746758 /nfs/dbraw/zinc/74/67/58/532746758.db2.gz KWZUAMXESCSNLF-UHFFFAOYSA-N -2 3 388.442 2.397 20 0 GEADHL COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccc(C(=O)[O-])o1 ZINC000316691243 532782896 /nfs/dbraw/zinc/78/28/96/532782896.db2.gz GKECBMKSUQYTKT-UHFFFAOYSA-N -2 3 390.211 2.227 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)C(C)C)c(F)c2)ccn1 ZINC000269697508 532787033 /nfs/dbraw/zinc/78/70/33/532787033.db2.gz XENSZOZPKRZYNE-UHFFFAOYSA-N -2 3 387.458 2.480 20 0 GEADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H](C(=O)[O-])C1CCC1 ZINC000547610137 532787431 /nfs/dbraw/zinc/78/74/31/532787431.db2.gz BJZPQRBMHZPNMQ-LBPRGKRZSA-N -2 3 396.234 2.128 20 0 GEADHL COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccccc1Cl ZINC000326241198 532789780 /nfs/dbraw/zinc/78/97/80/532789780.db2.gz LPJOVDHXQZGQPF-LLVKDONJSA-N -2 3 389.838 2.292 20 0 GEADHL CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](C)CCCCC(=O)[O-])c1 ZINC000548223895 532790067 /nfs/dbraw/zinc/79/00/67/532790067.db2.gz UCLGUSNPCBDBPK-LLVKDONJSA-N -2 3 375.418 2.314 20 0 GEADHL CSCC[C@H]([N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)C(=O)[O-] ZINC000287316268 532791148 /nfs/dbraw/zinc/79/11/48/532791148.db2.gz URSFOYXWBDRWLB-QMMMGPOBSA-N -2 3 391.364 2.209 20 0 GEADHL C[C@H]1[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)CCN1Cc1ccccc1 ZINC000287320078 532791494 /nfs/dbraw/zinc/79/14/94/532791494.db2.gz VCVYIHCEIOQSIY-WFASDCNBSA-N -2 3 380.491 2.388 20 0 GEADHL O=C([O-])[C@H](O)[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000549549280 532794640 /nfs/dbraw/zinc/79/46/40/532794640.db2.gz OPNZOCNONBMXLG-DZGCQCFKSA-N -2 3 377.409 2.028 20 0 GEADHL COC(=O)C(C)(C)CS(=O)(=O)[N-]c1ccc(S[C@H](C)C(=O)[O-])cc1 ZINC000287652521 532804646 /nfs/dbraw/zinc/80/46/46/532804646.db2.gz UYBVIBZXOGIVPO-SNVBAGLBSA-N -2 3 375.468 2.193 20 0 GEADHL CCC(CC)([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl)C(N)=O ZINC000273713235 532832136 /nfs/dbraw/zinc/83/21/36/532832136.db2.gz PLZZICKFLLQVDW-UHFFFAOYSA-N -2 3 383.253 2.014 20 0 GEADHL C[C@@H]1C[C@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)CCO1 ZINC000273735360 532832455 /nfs/dbraw/zinc/83/24/55/532832455.db2.gz SILBEROXIPEMTK-RNFRBKRXSA-N -2 3 384.273 2.055 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CCC[C@@H](C)C(=O)[O-])cc1Cl ZINC000274917284 532859582 /nfs/dbraw/zinc/85/95/82/532859582.db2.gz AGYKSJGYCOADAS-MRVPVSSYSA-N -2 3 380.825 2.217 20 0 GEADHL O=C([O-])C1(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCOCC1 ZINC000274920218 532859667 /nfs/dbraw/zinc/85/96/67/532859667.db2.gz AXXNCUYQKFOYLX-UHFFFAOYSA-N -2 3 385.335 2.004 20 0 GEADHL COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](C(=O)[O-])C(C)C ZINC000274940224 532860220 /nfs/dbraw/zinc/86/02/20/532860220.db2.gz FAWMAIMDOLWNQH-ZDUSSCGKSA-N -2 3 393.889 2.390 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C)cc1Cl ZINC000275001471 532861356 /nfs/dbraw/zinc/86/13/56/532861356.db2.gz LXKICFNKYQSGOJ-NSHDSACASA-N -2 3 380.825 2.215 20 0 GEADHL COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]CC(C)(C)C(=O)[O-] ZINC000275180700 532867854 /nfs/dbraw/zinc/86/78/54/532867854.db2.gz DITYNAPXULEFEQ-UHFFFAOYSA-N -2 3 379.862 2.144 20 0 GEADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]CCCCCCCC(=O)[O-] ZINC000275195119 532868429 /nfs/dbraw/zinc/86/84/29/532868429.db2.gz GBGUNRGCEBJPAY-UHFFFAOYSA-N -2 3 375.418 2.316 20 0 GEADHL CCO[C@@H]1C[C@@]([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)(C(=O)[O-])C1(C)C ZINC000275409023 532875837 /nfs/dbraw/zinc/87/58/37/532875837.db2.gz AEHGHPBABJHDEE-IAQYHMDHSA-N -2 3 381.372 2.041 20 0 GEADHL O=C([O-])c1ccc(Cl)c([N-]S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)c1 ZINC000364424628 532906943 /nfs/dbraw/zinc/90/69/43/532906943.db2.gz XGZMIJBWKBHUBD-UHFFFAOYSA-N -2 3 386.857 2.181 20 0 GEADHL O=C([O-])C1([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)CCOCC1 ZINC000368489429 532933071 /nfs/dbraw/zinc/93/30/71/532933071.db2.gz ASEDZLHGKCQQSR-UHFFFAOYSA-N -2 3 387.763 2.271 20 0 GEADHL CS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])c1 ZINC000571661258 450596376 /nfs/dbraw/zinc/59/63/76/450596376.db2.gz RSXFCNBNNMYGBU-UHFFFAOYSA-N -2 3 376.843 2.218 20 0 GEADHL C[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000735986998 598924119 /nfs/dbraw/zinc/92/41/19/598924119.db2.gz VZAWYXGPERYOSS-GFCCVEGCSA-N -2 3 377.470 2.029 20 0 GEADHL C[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000735986998 598924120 /nfs/dbraw/zinc/92/41/20/598924120.db2.gz VZAWYXGPERYOSS-GFCCVEGCSA-N -2 3 377.470 2.029 20 0 GEADHL CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736352801 598924790 /nfs/dbraw/zinc/92/47/90/598924790.db2.gz ZGTZEKGRCGGZIE-OAHLLOKOSA-N -2 3 391.497 2.419 20 0 GEADHL CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736352801 598924792 /nfs/dbraw/zinc/92/47/92/598924792.db2.gz ZGTZEKGRCGGZIE-OAHLLOKOSA-N -2 3 391.497 2.419 20 0 GEADHL COC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736940409 598948390 /nfs/dbraw/zinc/94/83/90/598948390.db2.gz KZVDMUDBHFUBCU-UHFFFAOYSA-N -2 3 387.421 2.071 20 0 GEADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)cc1Cl ZINC000737312215 598977154 /nfs/dbraw/zinc/97/71/54/598977154.db2.gz GUIHXAWWJHPALR-UHFFFAOYSA-N -2 3 391.840 2.256 20 0 GEADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cc1Cl ZINC000737312215 598977155 /nfs/dbraw/zinc/97/71/55/598977155.db2.gz GUIHXAWWJHPALR-UHFFFAOYSA-N -2 3 391.840 2.256 20 0 GEADHL CS[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)C1 ZINC000230954657 602160377 /nfs/dbraw/zinc/16/03/77/602160377.db2.gz FFJZPWQWZQJNHU-NKWVEPMBSA-N -2 3 384.273 2.303 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cn1 ZINC000822259493 607259126 /nfs/dbraw/zinc/25/91/26/607259126.db2.gz ZFBJLPIDDAFVRJ-UHFFFAOYSA-N -2 3 384.343 2.390 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cn1 ZINC000822259493 607259127 /nfs/dbraw/zinc/25/91/27/607259127.db2.gz ZFBJLPIDDAFVRJ-UHFFFAOYSA-N -2 3 384.343 2.390 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nnn[n-]3)c2)c(F)c1 ZINC000823392150 599303300 /nfs/dbraw/zinc/30/33/00/599303300.db2.gz LSUAAWPFTLSFNQ-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nn[n-]n3)c2)c(F)c1 ZINC000823392150 599303303 /nfs/dbraw/zinc/30/33/03/599303303.db2.gz LSUAAWPFTLSFNQ-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL CCCC[C@@H](CC)CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736439225 599245667 /nfs/dbraw/zinc/24/56/67/599245667.db2.gz SRYLBYSXKNKISS-CYBMUJFWSA-N -2 3 379.486 2.419 20 0 GEADHL CCCC[C@@H](CC)CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736439225 599245669 /nfs/dbraw/zinc/24/56/69/599245669.db2.gz SRYLBYSXKNKISS-CYBMUJFWSA-N -2 3 379.486 2.419 20 0 GEADHL O=C([O-])Cc1ccccc1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000819610815 597331922 /nfs/dbraw/zinc/33/19/22/597331922.db2.gz VEGXKRKULLEWDH-UHFFFAOYSA-N -2 3 383.404 2.009 20 0 GEADHL O=C([O-])[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000532676988 597495254 /nfs/dbraw/zinc/49/52/54/597495254.db2.gz AHOPPLCJPSIZMZ-ZDUSSCGKSA-N -2 3 392.408 2.173 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc(F)c1F ZINC000755973712 597514157 /nfs/dbraw/zinc/51/41/57/597514157.db2.gz DDMGUPWQIYEXOQ-UHFFFAOYSA-N -2 3 389.307 2.390 20 0 GEADHL CC(C)[C@@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(=O)[O-] ZINC000820036562 597657312 /nfs/dbraw/zinc/65/73/12/597657312.db2.gz BQFVJDJMDLRUPU-IEBWSBKVSA-N -2 3 384.432 2.479 20 0 GEADHL O=C([O-])Cc1cccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000821538488 598023411 /nfs/dbraw/zinc/02/34/11/598023411.db2.gz PQGRFFSISLOFOC-UHFFFAOYSA-N -2 3 383.404 2.009 20 0 GEADHL CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736648325 598283112 /nfs/dbraw/zinc/28/31/12/598283112.db2.gz ZREZCYOOSRKIBG-UHFFFAOYSA-N -2 3 375.410 2.075 20 0 GEADHL CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736648325 598283113 /nfs/dbraw/zinc/28/31/13/598283113.db2.gz ZREZCYOOSRKIBG-UHFFFAOYSA-N -2 3 375.410 2.075 20 0 GEADHL CCC=C(C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736412714 598331681 /nfs/dbraw/zinc/33/16/81/598331681.db2.gz UGQPWYRAVNALAX-YWEYNIOJSA-N -2 3 389.359 2.047 20 0 GEADHL CCC=C(C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736412714 598331682 /nfs/dbraw/zinc/33/16/82/598331682.db2.gz UGQPWYRAVNALAX-YWEYNIOJSA-N -2 3 389.359 2.047 20 0 GEADHL CC(C)C[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735761891 598414406 /nfs/dbraw/zinc/41/44/06/598414406.db2.gz REQQAPCKXLFGFM-JTQLQIEISA-N -2 3 385.877 2.397 20 0 GEADHL CC(C)C[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735761891 598414407 /nfs/dbraw/zinc/41/44/07/598414407.db2.gz REQQAPCKXLFGFM-JTQLQIEISA-N -2 3 385.877 2.397 20 0 GEADHL CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736503873 598416329 /nfs/dbraw/zinc/41/63/29/598416329.db2.gz OYLNJBQUYISJBK-UHFFFAOYSA-N -2 3 383.437 2.427 20 0 GEADHL CCCn1c2ccccc2nc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736503873 598416330 /nfs/dbraw/zinc/41/63/30/598416330.db2.gz OYLNJBQUYISJBK-UHFFFAOYSA-N -2 3 383.437 2.427 20 0 GEADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000737315840 598416506 /nfs/dbraw/zinc/41/65/06/598416506.db2.gz QZTDWVJAPYKTSW-UHFFFAOYSA-N -2 3 383.842 2.009 20 0 GEADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000737315840 598416507 /nfs/dbraw/zinc/41/65/07/598416507.db2.gz QZTDWVJAPYKTSW-UHFFFAOYSA-N -2 3 383.842 2.009 20 0 GEADHL C[C@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735964323 598451134 /nfs/dbraw/zinc/45/11/34/598451134.db2.gz YFUGSCUKDHGSEI-SECBINFHSA-N -2 3 393.860 2.488 20 0 GEADHL C[C@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735964323 598451136 /nfs/dbraw/zinc/45/11/36/598451136.db2.gz YFUGSCUKDHGSEI-SECBINFHSA-N -2 3 393.860 2.488 20 0 GEADHL CN(C)c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736779158 598607028 /nfs/dbraw/zinc/60/70/28/598607028.db2.gz LCOKUJPFNLURGH-UHFFFAOYSA-N -2 3 378.845 2.387 20 0 GEADHL CN(C)c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736779158 598607029 /nfs/dbraw/zinc/60/70/29/598607029.db2.gz LCOKUJPFNLURGH-UHFFFAOYSA-N -2 3 378.845 2.387 20 0 GEADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)cc1-c1nnn[n-]1 ZINC000820178085 607375413 /nfs/dbraw/zinc/37/54/13/607375413.db2.gz HCCHOXKPAZXMHH-UHFFFAOYSA-N -2 3 399.436 2.331 20 0 GEADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)cc1-c1nn[n-]n1 ZINC000820178085 607375416 /nfs/dbraw/zinc/37/54/16/607375416.db2.gz HCCHOXKPAZXMHH-UHFFFAOYSA-N -2 3 399.436 2.331 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cnn1-c1ccccc1 ZINC000822121975 607376406 /nfs/dbraw/zinc/37/64/06/607376406.db2.gz ISEPTFZOMRUTCU-UHFFFAOYSA-N -2 3 399.411 2.301 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cnn1-c1ccccc1 ZINC000822121975 607376408 /nfs/dbraw/zinc/37/64/08/607376408.db2.gz ISEPTFZOMRUTCU-UHFFFAOYSA-N -2 3 399.411 2.301 20 0 GEADHL CCc1ccc([C@@H](C)CC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736690886 599618267 /nfs/dbraw/zinc/61/82/67/599618267.db2.gz WKOGNDPGOVVCQN-ZDUSSCGKSA-N -2 3 399.476 2.428 20 0 GEADHL CCc1ccc([C@@H](C)CC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736690886 599618269 /nfs/dbraw/zinc/61/82/69/599618269.db2.gz WKOGNDPGOVVCQN-ZDUSSCGKSA-N -2 3 399.476 2.428 20 0 GEADHL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](C)C(=O)[O-])ccc2C)cc1 ZINC000427312044 599759062 /nfs/dbraw/zinc/75/90/62/599759062.db2.gz HALKXVUDMVTYJU-LBPRGKRZSA-N -2 3 392.433 2.007 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCc2nc(-c3ccncc3)cs2)o1 ZINC000740175683 599778316 /nfs/dbraw/zinc/77/83/16/599778316.db2.gz UAVXGPQUQRXDMJ-UHFFFAOYSA-N -2 3 393.446 2.407 20 0 GEADHL COC(=O)CCc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000609218979 599853340 /nfs/dbraw/zinc/85/33/40/599853340.db2.gz DAFVGGVAZNOFTR-UHFFFAOYSA-N -2 3 393.417 2.056 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2C(=O)[O-])ccc1F ZINC000555452827 599885364 /nfs/dbraw/zinc/88/53/64/599885364.db2.gz IZXJISAIOJYRNZ-UHFFFAOYSA-N -2 3 394.424 2.470 20 0 GEADHL COC(=O)COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1 ZINC000477400952 599905823 /nfs/dbraw/zinc/90/58/23/599905823.db2.gz DRHZEKIXCPAVGG-UHFFFAOYSA-N -2 3 379.390 2.046 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)ccc1OCC(=O)[O-] ZINC000476737532 599925064 /nfs/dbraw/zinc/92/50/64/599925064.db2.gz ITZUSNANLUBRGR-UHFFFAOYSA-N -3 3 379.390 2.266 20 0 GEADHL CN1CCN(c2ccccc2[N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])CC1 ZINC000737529600 600103261 /nfs/dbraw/zinc/10/32/61/600103261.db2.gz LPBRVAYSQHJVQK-UHFFFAOYSA-N -2 3 393.440 2.077 20 0 GEADHL COCCOc1ccc(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)cc1 ZINC000737822529 600300561 /nfs/dbraw/zinc/30/05/61/600300561.db2.gz VPYMHYVUPNLARO-UHFFFAOYSA-N -2 3 380.422 2.280 20 0 GEADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)c(F)c2)cc1 ZINC000739886421 600473488 /nfs/dbraw/zinc/47/34/88/600473488.db2.gz MKILBTNYQJKBBU-UHFFFAOYSA-N -2 3 375.381 2.439 20 0 GEADHL O=S(=O)([N-]c1cc(C(F)(F)F)[nH]n1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000823582858 607446738 /nfs/dbraw/zinc/44/67/38/607446738.db2.gz CFYFLUZWAXGGRM-UHFFFAOYSA-N -2 3 393.738 2.063 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCCCC(=O)[O-])cc2)cc1C(N)=O ZINC000738655431 600489247 /nfs/dbraw/zinc/48/92/47/600489247.db2.gz ULWKAWKEQWTZQB-UHFFFAOYSA-N -2 3 392.433 2.138 20 0 GEADHL COC(=O)c1sc2[n-]c(CN3CCCC(C)(C)C3)nc(=O)c2c1CC(=O)[O-] ZINC000737724287 600542855 /nfs/dbraw/zinc/54/28/55/600542855.db2.gz YGMWWRJSFGSXCE-UHFFFAOYSA-N -2 3 393.465 2.020 20 0 GEADHL Cc1cc(N2CCOCC2)ccc1[N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000267251907 600626346 /nfs/dbraw/zinc/62/63/46/600626346.db2.gz ZSUZOWPHHIHUHB-UHFFFAOYSA-N -2 3 390.461 2.260 20 0 GEADHL CC(C)OCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736484903 600632308 /nfs/dbraw/zinc/63/23/08/600632308.db2.gz MKVHAGBVEPEORG-UHFFFAOYSA-N -2 3 398.250 2.380 20 0 GEADHL O=C([O-])COc1cccc(C[N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000739832849 600635507 /nfs/dbraw/zinc/63/55/07/600635507.db2.gz KTJUECRGLCBOPK-UHFFFAOYSA-N -2 3 375.324 2.046 20 0 GEADHL CC(C)(C)[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C(=O)[O-] ZINC000675985615 600644121 /nfs/dbraw/zinc/64/41/21/600644121.db2.gz ROOOATOIYCJTJF-CQSZACIVSA-N -2 3 397.428 2.184 20 0 GEADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(N2CCCNC2=O)c1 ZINC000757654908 600686959 /nfs/dbraw/zinc/68/69/59/600686959.db2.gz HWYLUERRMNPBFW-UHFFFAOYSA-N -2 3 389.433 2.414 20 0 GEADHL CC[C@@]([N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1)(C(=O)OC)c1ccccc1 ZINC000828994415 600741746 /nfs/dbraw/zinc/74/17/46/600741746.db2.gz ZJAXOLWRHAAVFE-IBGZPJMESA-N -2 3 391.445 2.450 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCN(c3ccccc3Cl)C2=O)o1 ZINC000833325175 600762469 /nfs/dbraw/zinc/76/24/69/600762469.db2.gz UVVVLEULXPTSPM-NSHDSACASA-N -2 3 398.824 2.105 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(Cn3cccnc3=O)c2)cc1C(=O)[O-] ZINC000614848794 600812129 /nfs/dbraw/zinc/81/21/29/600812129.db2.gz HJEFVXILEZHXFJ-UHFFFAOYSA-N -2 3 399.428 2.099 20 0 GEADHL COC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000735270306 600816114 /nfs/dbraw/zinc/81/61/14/600816114.db2.gz YNZQXUSSJNDDKD-UHFFFAOYSA-N -2 3 378.406 2.350 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCN(C)CC2)cc1C(=O)[O-] ZINC000013270175 600829095 /nfs/dbraw/zinc/82/90/95/600829095.db2.gz UCLLBUXLDWELJD-UHFFFAOYSA-N -2 3 389.477 2.246 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)[C@H](C)O3)ccc1C(=O)[O-] ZINC000506584875 600887468 /nfs/dbraw/zinc/88/74/68/600887468.db2.gz SRNIWCWHXGJGKN-JTQLQIEISA-N -2 3 376.390 2.213 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@H](c2nccn2C)c2cccc(F)c2)cc1C(=O)[O-] ZINC000833027592 601215435 /nfs/dbraw/zinc/21/54/35/601215435.db2.gz HMYQKWNHRNJEIW-HNNXBMFYSA-N -2 3 393.396 2.227 20 0 GEADHL CCn1c(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)nc2ccccc21 ZINC000579349654 601218946 /nfs/dbraw/zinc/21/89/46/601218946.db2.gz RZRGTNQSALYXBV-UHFFFAOYSA-N -2 3 377.422 2.177 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCCN(c3cccc(F)c3)C2)cc1C(=O)[O-] ZINC000833028708 601222323 /nfs/dbraw/zinc/22/23/23/601222323.db2.gz OOLDPROVUWQFAO-CYBMUJFWSA-N -2 3 382.413 2.373 20 0 GEADHL Cc1oc(S(=O)(=O)[N-]Cc2nc(-c3cccc(Cl)c3)no2)cc1C(=O)[O-] ZINC000833026676 601222492 /nfs/dbraw/zinc/22/24/92/601222492.db2.gz HHRWFOHPUHJSGQ-UHFFFAOYSA-N -2 3 397.796 2.468 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H](C)C(=O)[O-])oc1C ZINC000275078357 601224667 /nfs/dbraw/zinc/22/46/67/601224667.db2.gz YEURXYQCCYPTIY-ZUZCIYMTSA-N -2 3 381.406 2.115 20 0 GEADHL CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1ccsc1 ZINC000830585094 601230566 /nfs/dbraw/zinc/23/05/66/601230566.db2.gz OMBPHXBHXGWDIR-NSHDSACASA-N -2 3 390.433 2.306 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2ccn(-c3ccccc3)n2)c1F ZINC000833294909 601231830 /nfs/dbraw/zinc/23/18/30/601231830.db2.gz ZNTNQTGJJDWSKP-UHFFFAOYSA-N -2 3 393.371 2.327 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCN2CCCc3ccccc32)c1F ZINC000833293702 601231874 /nfs/dbraw/zinc/23/18/74/601231874.db2.gz DPPMYEBAIDWKCL-UHFFFAOYSA-N -2 3 396.415 2.394 20 0 GEADHL CCc1nc(CC[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cs1 ZINC000830315254 601233854 /nfs/dbraw/zinc/23/38/54/601233854.db2.gz UAYQWZLKFITRSO-UHFFFAOYSA-N -2 3 376.406 2.203 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)N(C)C)c2)cc1C(=O)[O-] ZINC000433508660 601250549 /nfs/dbraw/zinc/25/05/49/601250549.db2.gz HLGVONHUULULDR-UHFFFAOYSA-N -2 3 392.433 2.204 20 0 GEADHL COCCOc1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)ccc1OC ZINC000046454950 601322750 /nfs/dbraw/zinc/32/27/50/601322750.db2.gz ARDFTHLKVFBKDW-UHFFFAOYSA-N -2 3 399.396 2.359 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)ccc1F ZINC000747615941 601327481 /nfs/dbraw/zinc/32/74/81/601327481.db2.gz KYFKRTVUNZPACP-UHFFFAOYSA-N -2 3 397.380 2.267 20 0 GEADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1)c1nc(C2CCCCC2)no1 ZINC000827747463 601384962 /nfs/dbraw/zinc/38/49/62/601384962.db2.gz PBAXFEQGJNCUTE-JTQLQIEISA-N -2 3 382.442 2.194 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2nc(Cc3ccccc3)no2)cc1C(=O)[O-] ZINC000833028697 601401179 /nfs/dbraw/zinc/40/11/79/601401179.db2.gz NTXVOIBOYKUBOA-SNVBAGLBSA-N -2 3 391.405 2.300 20 0 GEADHL Cc1nc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])sc1C(=O)[O-] ZINC000833004250 601435460 /nfs/dbraw/zinc/43/54/60/601435460.db2.gz STGXVCRQQOWWRG-NSHDSACASA-N -2 3 375.406 2.099 20 0 GEADHL CC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000828671453 601479482 /nfs/dbraw/zinc/47/94/82/601479482.db2.gz DDWKWSJOPHBIGE-CQSZACIVSA-N -2 3 380.825 2.359 20 0 GEADHL O=C([O-])CC1(CS(=O)(=O)[N-]Cc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000833203230 601516268 /nfs/dbraw/zinc/51/62/68/601516268.db2.gz CHJJFGWFBHTYOZ-UHFFFAOYSA-N -2 3 385.829 2.064 20 0 GEADHL C[C@H]([N-]S(=O)(=O)CC1(CC(=O)[O-])CC1)c1nc(-c2cccc(F)c2)no1 ZINC000827741480 601519076 /nfs/dbraw/zinc/51/90/76/601519076.db2.gz NCUSRLQXDJGNON-JTQLQIEISA-N -2 3 383.401 2.111 20 0 GEADHL COCCOc1ccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1 ZINC000826162675 607533571 /nfs/dbraw/zinc/53/35/71/607533571.db2.gz NITXFHUNHFJMQK-UHFFFAOYSA-N -2 3 389.437 2.001 20 0 GEADHL Cc1nc(-c2cccc([N-]S(=O)(=O)c3cccc(C)c3-c3nn[n-]n3)c2)n[nH]1 ZINC000826322866 607535059 /nfs/dbraw/zinc/53/50/59/607535059.db2.gz FAQWPQWWNAFCIH-UHFFFAOYSA-N -2 3 396.436 2.069 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCOc2ncccc2Cl)c1F ZINC000833294662 602167799 /nfs/dbraw/zinc/16/77/99/602167799.db2.gz UOEIKNZDGWJXSF-UHFFFAOYSA-N -2 3 392.767 2.069 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2noc(-c3ccccc3)n2)cc1C(=O)[O-] ZINC000833029207 602172802 /nfs/dbraw/zinc/17/28/02/602172802.db2.gz ZNTBKRSWBKEXSV-VIFPVBQESA-N -2 3 377.378 2.376 20 0 GEADHL O=C(c1ccc(F)cc1[O-])N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826472983 607563787 /nfs/dbraw/zinc/56/37/87/607563787.db2.gz FUFSFLMQAUUVBI-UHFFFAOYSA-N -2 3 383.383 2.395 20 0 GEADHL CCN(CCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000739434629 602733554 /nfs/dbraw/zinc/73/35/54/602733554.db2.gz BDDZMZPZFACZOC-UHFFFAOYSA-N -2 3 382.214 2.020 20 0 GEADHL C[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000739040858 602877956 /nfs/dbraw/zinc/87/79/56/602877956.db2.gz WVMBOLQJCQZWAY-IUCAKERBSA-N -2 3 382.269 2.445 20 0 GEADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](CNC(=O)[O-])C2CC2)s1 ZINC000829900344 603120505 /nfs/dbraw/zinc/12/05/05/603120505.db2.gz RIBBUPQJWBRUBE-VIFPVBQESA-N -2 3 383.289 2.144 20 0 GEADHL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cccnc1Br ZINC000833318387 604405245 /nfs/dbraw/zinc/40/52/45/604405245.db2.gz LXFAMUWANCLFPA-UHFFFAOYSA-N -2 3 375.175 2.482 20 0 GEADHL C[C@@H](O)C[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1ccccc1 ZINC000827790226 604408080 /nfs/dbraw/zinc/40/80/80/604408080.db2.gz OTILJHLMUNBTEC-YPMHNXCESA-N -2 3 399.415 2.496 20 0 GEADHL CCC[C@H]([N-]S(=O)(=O)c1cc(Br)cc(F)c1OC)C(=O)[O-] ZINC000764917585 605011556 /nfs/dbraw/zinc/01/15/56/605011556.db2.gz VIOCHQKJGNKOCL-VIFPVBQESA-N -2 3 384.223 2.128 20 0 GEADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000547591941 605046678 /nfs/dbraw/zinc/04/66/78/605046678.db2.gz JRPGMYKKKVSAKM-TZMCWYRMSA-N -2 3 387.429 2.314 20 0 GEADHL Cc1cc(CN2CCSCC2)ccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000833745314 605053732 /nfs/dbraw/zinc/05/37/32/605053732.db2.gz BYRZNSKWYIKUKL-UHFFFAOYSA-N -2 3 395.506 2.371 20 0 GEADHL CC(C)(C)OC(=O)NC1CCC([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000833441298 605205760 /nfs/dbraw/zinc/20/57/60/605205760.db2.gz RFPZCGFZPGFOOC-UHFFFAOYSA-N -2 3 388.442 2.092 20 0 GEADHL O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)Nc1cc(I)ccc1[O-] ZINC000834174758 605540863 /nfs/dbraw/zinc/54/08/63/605540863.db2.gz XSFOOPQXUNNJGM-DTWKUNHWSA-N -2 3 390.177 2.372 20 0 GEADHL O=C([O-])N1CCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000834111337 605791436 /nfs/dbraw/zinc/79/14/36/605791436.db2.gz CFLNRISETVNJPB-UHFFFAOYSA-N -2 3 393.396 2.367 20 0 GEADHL CCc1ccc(C(C)(C)C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821476064 606176448 /nfs/dbraw/zinc/17/64/48/606176448.db2.gz FWDOSIXQKLOOEN-UHFFFAOYSA-N -2 3 399.476 2.212 20 0 GEADHL CCc1ccc(C(C)(C)C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821476064 606176449 /nfs/dbraw/zinc/17/64/49/606176449.db2.gz FWDOSIXQKLOOEN-UHFFFAOYSA-N -2 3 399.476 2.212 20 0 GEADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C1CCCC1 ZINC000819867574 606177999 /nfs/dbraw/zinc/17/79/99/606177999.db2.gz UCZYIIJQTVRZET-SECBINFHSA-N -2 3 383.861 2.151 20 0 GEADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C1CCCC1 ZINC000819867574 606178001 /nfs/dbraw/zinc/17/80/01/606178001.db2.gz UCZYIIJQTVRZET-SECBINFHSA-N -2 3 383.861 2.151 20 0 GEADHL COCCCOc1cccc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC000821688295 606203351 /nfs/dbraw/zinc/20/33/51/606203351.db2.gz FPIGHRTVOSVXDE-UHFFFAOYSA-N -2 3 389.437 2.083 20 0 GEADHL COCCCOc1cccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC000821688295 606203352 /nfs/dbraw/zinc/20/33/52/606203352.db2.gz FPIGHRTVOSVXDE-UHFFFAOYSA-N -2 3 389.437 2.083 20 0 GEADHL O=S(=O)([N-]c1cnc2ccccc2n1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823589200 606206573 /nfs/dbraw/zinc/20/65/73/606206573.db2.gz SHPBCIOSGPYJGM-UHFFFAOYSA-N -2 3 387.812 2.264 20 0 GEADHL O=S(=O)([N-]c1cnc2ccccc2n1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823589200 606206575 /nfs/dbraw/zinc/20/65/75/606206575.db2.gz SHPBCIOSGPYJGM-UHFFFAOYSA-N -2 3 387.812 2.264 20 0 GEADHL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1O ZINC000821720578 606211728 /nfs/dbraw/zinc/21/17/28/606211728.db2.gz VMWJALWGKPXJON-UHFFFAOYSA-N -2 3 381.801 2.035 20 0 GEADHL O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)c(F)c1 ZINC000823391969 606431079 /nfs/dbraw/zinc/43/10/79/606431079.db2.gz JUGDDVPMJGNRFO-UHFFFAOYSA-N -2 3 397.775 2.158 20 0 GEADHL CC(C)c1nnc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)s1 ZINC000820211388 606468264 /nfs/dbraw/zinc/46/82/64/606468264.db2.gz KVQIDPQUJHJEFF-UHFFFAOYSA-N -2 3 385.862 2.296 20 0 GEADHL CC(C)c1nnc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)s1 ZINC000820211388 606468265 /nfs/dbraw/zinc/46/82/65/606468265.db2.gz KVQIDPQUJHJEFF-UHFFFAOYSA-N -2 3 385.862 2.296 20 0 GEADHL CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000821308498 606598563 /nfs/dbraw/zinc/59/85/63/606598563.db2.gz BVZPVVKYHDGIGC-UHFFFAOYSA-N -2 3 380.380 2.378 20 0 GEADHL CC(C)(C)n1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)n1 ZINC000819971662 606606208 /nfs/dbraw/zinc/60/62/08/606606208.db2.gz QLCPZSXJMWAPNY-UHFFFAOYSA-N -2 3 399.839 2.412 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nnn[n-]2)c(F)c1 ZINC000822266529 606606805 /nfs/dbraw/zinc/60/68/05/606606805.db2.gz BZKXJCQSFYRJML-UHFFFAOYSA-N -2 3 379.421 2.067 20 0 GEADHL Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc(N(C)C)ccc1-c1nn[n-]n1 ZINC000822241010 606752651 /nfs/dbraw/zinc/75/26/51/606752651.db2.gz ILGJULRBJAAXDL-UHFFFAOYSA-N -2 3 376.417 2.181 20 0 GEADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1 ZINC000821588098 606820402 /nfs/dbraw/zinc/82/04/02/606820402.db2.gz ASMKAZUVTGSKFF-UHFFFAOYSA-N -2 3 398.370 2.151 20 0 GEADHL CCOc1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1 ZINC000821422157 606864073 /nfs/dbraw/zinc/86/40/73/606864073.db2.gz QCTJDMBCSRQMLB-UHFFFAOYSA-N -2 3 381.364 2.344 20 0 GEADHL CCOc1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1 ZINC000821422157 606864074 /nfs/dbraw/zinc/86/40/74/606864074.db2.gz QCTJDMBCSRQMLB-UHFFFAOYSA-N -2 3 381.364 2.344 20 0 GEADHL C[C@@H](C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)Cc1cccs1 ZINC000820275730 606893029 /nfs/dbraw/zinc/89/30/29/606893029.db2.gz RCWBFDFQWHMCJE-SECBINFHSA-N -2 3 399.448 2.364 20 0 GEADHL CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1sc(C)nc1C ZINC000821308483 607032619 /nfs/dbraw/zinc/03/26/19/607032619.db2.gz BCMQIIKBOIDEAC-UHFFFAOYSA-N -2 3 379.471 2.173 20 0 GEADHL Cc1ccn(-c2ccccc2[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)n1 ZINC000822370316 607035178 /nfs/dbraw/zinc/03/51/78/607035178.db2.gz WLTILRJKHARHBI-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL Cc1ccn(-c2ccccc2[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)n1 ZINC000822370316 607035179 /nfs/dbraw/zinc/03/51/79/607035179.db2.gz WLTILRJKHARHBI-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL Cc1cc(Cl)ccc1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822202046 607083542 /nfs/dbraw/zinc/08/35/42/607083542.db2.gz ITENTQCLXCTNAB-UHFFFAOYSA-N -2 3 391.840 2.088 20 0 GEADHL Cc1cc(Cl)ccc1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822202046 607083544 /nfs/dbraw/zinc/08/35/44/607083544.db2.gz ITENTQCLXCTNAB-UHFFFAOYSA-N -2 3 391.840 2.088 20 0 GEADHL C[C@H](c1ccccc1)n1ccc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)n1 ZINC000820571241 607112434 /nfs/dbraw/zinc/11/24/34/607112434.db2.gz WOHXKOHPNGRSRF-CYBMUJFWSA-N -2 3 395.448 2.473 20 0 GEADHL C[C@H](c1ccccc1)n1ccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)n1 ZINC000820571241 607112436 /nfs/dbraw/zinc/11/24/36/607112436.db2.gz WOHXKOHPNGRSRF-CYBMUJFWSA-N -2 3 395.448 2.473 20 0 GEADHL Cc1c(NC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)cccc1-c1nnn[n-]1 ZINC000822068802 607251241 /nfs/dbraw/zinc/25/12/41/607251241.db2.gz VBJDWFOSOSRLEQ-UHFFFAOYSA-N -2 3 377.404 2.374 20 0 GEADHL Cc1c(NC(=O)CC2(C(=O)[O-])Cc3ccccc3C2)cccc1-c1nn[n-]n1 ZINC000822068802 607251242 /nfs/dbraw/zinc/25/12/42/607251242.db2.gz VBJDWFOSOSRLEQ-UHFFFAOYSA-N -2 3 377.404 2.374 20 0 GEADHL CC(C)[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824342592 607806106 /nfs/dbraw/zinc/80/61/06/607806106.db2.gz QMEZWLKDYUSXSI-MQMHXKEQSA-N -2 3 377.470 2.134 20 0 GEADHL CC(C)[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824342592 607806107 /nfs/dbraw/zinc/80/61/07/607806107.db2.gz QMEZWLKDYUSXSI-MQMHXKEQSA-N -2 3 377.470 2.134 20 0 GEADHL CC(C)c1cccc(S(=O)(=O)[N-]C(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824352751 607806225 /nfs/dbraw/zinc/80/62/25/607806225.db2.gz LMCWKKIHENOMCN-UHFFFAOYSA-N -2 3 385.449 2.038 20 0 GEADHL CC(C)c1cccc(S(=O)(=O)[N-]C(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824352751 607806226 /nfs/dbraw/zinc/80/62/26/607806226.db2.gz LMCWKKIHENOMCN-UHFFFAOYSA-N -2 3 385.449 2.038 20 0 GEADHL CC1(CC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CCCCC1 ZINC000824819307 607806417 /nfs/dbraw/zinc/80/64/17/607806417.db2.gz ZVLRBLHWIGYNBN-UHFFFAOYSA-N -2 3 377.470 2.173 20 0 GEADHL CC1(CC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CCCCC1 ZINC000824819307 607806418 /nfs/dbraw/zinc/80/64/18/607806418.db2.gz ZVLRBLHWIGYNBN-UHFFFAOYSA-N -2 3 377.470 2.173 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2C)c(C)c1C(=O)[O-] ZINC000826292881 607809698 /nfs/dbraw/zinc/80/96/98/607809698.db2.gz QCXDTMYWVSPFOK-UHFFFAOYSA-N -2 3 387.421 2.291 20 0 GEADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cc1F ZINC000826462126 607847204 /nfs/dbraw/zinc/84/72/04/607847204.db2.gz OXGJKIPLKARBES-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cc1F ZINC000826462126 607847205 /nfs/dbraw/zinc/84/72/05/607847205.db2.gz OXGJKIPLKARBES-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL CC1(C)CCC[C@H](CC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)C1 ZINC000824801999 607922077 /nfs/dbraw/zinc/92/20/77/607922077.db2.gz JHPYLCBFVPCYQM-CYBMUJFWSA-N -2 3 391.497 2.419 20 0 GEADHL CC1(C)CCC[C@H](CC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)C1 ZINC000824801999 607922078 /nfs/dbraw/zinc/92/20/78/607922078.db2.gz JHPYLCBFVPCYQM-CYBMUJFWSA-N -2 3 391.497 2.419 20 0 GEADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000826450375 607922927 /nfs/dbraw/zinc/92/29/27/607922927.db2.gz JNWZLOPFITZYFL-BPLDGKMQSA-N -2 3 389.481 2.278 20 0 GEADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000826450375 607922928 /nfs/dbraw/zinc/92/29/28/607922928.db2.gz JNWZLOPFITZYFL-BPLDGKMQSA-N -2 3 389.481 2.278 20 0 GEADHL CC(=O)c1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1C ZINC000824024772 607982560 /nfs/dbraw/zinc/98/25/60/607982560.db2.gz OZZZNCXXMSFVRC-UHFFFAOYSA-N -2 3 393.375 2.457 20 0 GEADHL CC(=O)c1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1C ZINC000824024772 607982561 /nfs/dbraw/zinc/98/25/61/607982561.db2.gz OZZZNCXXMSFVRC-UHFFFAOYSA-N -2 3 393.375 2.457 20 0 GEADHL CCC[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C(C)C ZINC000825225559 608185273 /nfs/dbraw/zinc/18/52/73/608185273.db2.gz VKKFIXJSYUNZNK-NSHDSACASA-N -2 3 385.877 2.397 20 0 GEADHL CCC[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C(C)C ZINC000825225559 608185275 /nfs/dbraw/zinc/18/52/75/608185275.db2.gz VKKFIXJSYUNZNK-NSHDSACASA-N -2 3 385.877 2.397 20 0 GEADHL Cn1c2ccccc2c2cc(S(=O)(=O)[N-]c3n[nH]cc3-c3nnn[n-]3)ccc21 ZINC000826356306 608307387 /nfs/dbraw/zinc/30/73/87/608307387.db2.gz KVXMGQDSAIXESE-UHFFFAOYSA-N -2 3 394.420 2.036 20 0 GEADHL O=S(=O)([N-]CCCc1cccs1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826490784 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CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)no1 ZINC000476908871 650562932 /nfs/dbraw/zinc/56/29/32/650562932.db2.gz NDPQAGOWZSKYKD-UHFFFAOYSA-N -2 3 391.446 2.284 20 0 GEADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2csc(-c3ccccc3)n2)s1 ZINC000515879246 650595523 /nfs/dbraw/zinc/59/55/23/650595523.db2.gz LINSCZDFLMCJOO-UHFFFAOYSA-N -2 3 381.464 2.285 20 0 GEADHL Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2F)cc1C(=O)[O-] ZINC000479267982 650600529 /nfs/dbraw/zinc/60/05/29/650600529.db2.gz YHWJXQBAMZCACZ-UHFFFAOYSA-N -2 3 386.788 2.385 20 0 GEADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](CCC(C)(C)C)C(=O)[O-])s1 ZINC000485027009 650692271 /nfs/dbraw/zinc/69/22/71/650692271.db2.gz SAISYMLTVZGYFX-SECBINFHSA-N -2 3 393.483 2.101 20 0 GEADHL COCCCNC(=O)[N-][N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000064940986 642877229 /nfs/dbraw/zinc/87/72/29/642877229.db2.gz SMBBNULCEPHCKR-UHFFFAOYSA-N -2 3 384.285 2.139 20 0 GEADHL CC(C)(C)CC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000066813860 642939993 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2.248 20 0 GEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cccc(C)c2)c1 ZINC000614320569 651821486 /nfs/dbraw/zinc/82/14/86/651821486.db2.gz KCJWYPKVVNEREA-ZDUSSCGKSA-N -2 3 383.447 2.337 20 0 GEADHL COC1(CS(=O)(=O)[N-]c2cc(Br)ccc2[O-])CCOCC1 ZINC000650185230 651844530 /nfs/dbraw/zinc/84/45/30/651844530.db2.gz WZTWKYGFDAPMIF-UHFFFAOYSA-N -2 3 380.260 2.092 20 0 GEADHL CCCc1ccc(S(=O)(=O)[N-]c2cccc(F)c2S(=O)(=O)[N-]C)cc1 ZINC000572059506 651870402 /nfs/dbraw/zinc/87/04/02/651870402.db2.gz ZUJFNCFGMFAQIZ-UHFFFAOYSA-N -2 3 386.470 2.487 20 0 GEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cc(Br)ccc2C)c[n-]1 ZINC000618906251 652037501 /nfs/dbraw/zinc/03/75/01/652037501.db2.gz BBYGAHYKSIXYCU-UHFFFAOYSA-N -2 3 388.243 2.458 20 0 GEADHL CCc1cccc2c(CC[N-]S(=O)(=O)c3scnc3C(=O)[O-])c[nH]c21 ZINC000577726294 652210854 /nfs/dbraw/zinc/21/08/54/652210854.db2.gz UDUWYTHUWDCTHT-UHFFFAOYSA-N -2 3 379.463 2.406 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cc(C3CC3)ccn2)c(F)c1 ZINC000578825529 652296253 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GEADHL CC(C)OCCS(=O)(=O)[N-]c1cc(Br)cc(CC(=O)[O-])c1 ZINC000634796913 652667881 /nfs/dbraw/zinc/66/78/81/652667881.db2.gz LEHDKAACQFZWQQ-UHFFFAOYSA-N -2 3 380.260 2.243 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(Cl)nc2)cc1F ZINC000765642881 652845881 /nfs/dbraw/zinc/84/58/81/652845881.db2.gz PPGGZQAMUJECQU-UHFFFAOYSA-N -2 3 393.849 2.437 20 0 GEADHL O=C([O-])CN(CC1CC1)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000675973103 652949380 /nfs/dbraw/zinc/94/93/80/652949380.db2.gz DYIXTMBPXIYDGQ-UHFFFAOYSA-N -2 3 379.210 2.227 20 0 GEADHL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000771132753 653097818 /nfs/dbraw/zinc/09/78/18/653097818.db2.gz JMIDKBMNSNHFAD-UHFFFAOYSA-N -2 3 393.849 2.355 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ncc(CC)o2)cc1F ZINC000679204162 653140783 /nfs/dbraw/zinc/14/07/83/653140783.db2.gz UIRVMBMTRIIERG-UHFFFAOYSA-N -2 3 391.446 2.329 20 0 GEADHL O=C([N-]c1nnc([N-]S(=O)(=O)c2ccccc2)s1)c1cccnc1F ZINC000806508033 653167174 /nfs/dbraw/zinc/16/71/74/653167174.db2.gz XPMLWMUAPWESCK-UHFFFAOYSA-N -2 3 379.398 2.125 20 0 GEADHL COc1cccc(C[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)C(=O)[O-])c1 ZINC000681560788 653185577 /nfs/dbraw/zinc/18/55/77/653185577.db2.gz KBQBELMSQOIJQD-CQSZACIVSA-N -2 3 387.816 2.462 20 0 GEADHL CCOCCO[N-]C(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000773919412 653217381 /nfs/dbraw/zinc/21/73/81/653217381.db2.gz ULJWKZGQEKTTSR-UHFFFAOYSA-N -2 3 384.479 2.176 20 0 GEADHL C[C@H](CC(C)(C)C)C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000774208718 653229332 /nfs/dbraw/zinc/22/93/32/653229332.db2.gz CDIQFSQHNFUMPL-SNVBAGLBSA-N -2 3 394.490 2.074 20 0 GEADHL COCn1nc(C)c(S(=O)(=O)[N-]c2cccc([O-])c2Br)c1C ZINC000641691652 653230781 /nfs/dbraw/zinc/23/07/81/653230781.db2.gz NYDBZRCZZDAVII-UHFFFAOYSA-N -2 3 390.259 2.373 20 0 GEADHL CN(Cc1ccccc1)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000702207670 653319442 /nfs/dbraw/zinc/31/94/42/653319442.db2.gz VUHQBQQUQUSHIJ-GFCCVEGCSA-N -2 3 388.898 2.265 20 0 GEADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]CCC(C)(C)CCC(=O)[O-])c1 ZINC000776573686 653360584 /nfs/dbraw/zinc/36/05/84/653360584.db2.gz MOAXNBIJRPSGIO-UHFFFAOYSA-N -2 3 375.418 2.172 20 0 GEADHL Cn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc3ccccc3c2)nc1Cl ZINC000776595240 653362648 /nfs/dbraw/zinc/36/26/48/653362648.db2.gz CZMBWLKYLVUWPS-AWEZNQCLSA-N -2 3 379.825 2.331 20 0 GEADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-]CC[C@H](C)CC(=O)[O-] ZINC000776623509 653365716 /nfs/dbraw/zinc/36/57/16/653365716.db2.gz JCBXSGRLKGNTQZ-QMMMGPOBSA-N -2 3 398.250 2.376 20 0 GEADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-]C[C@H](C)CCC(=O)[O-] ZINC000776633106 653366810 /nfs/dbraw/zinc/36/68/10/653366810.db2.gz LZZVDASGBHFSEF-MRVPVSSYSA-N -2 3 398.250 2.376 20 0 GEADHL CC[C@](C)(C[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC)C(=O)[O-] ZINC000776628336 653366871 /nfs/dbraw/zinc/36/68/71/653366871.db2.gz PEQBLLCFBXWOBB-CYBMUJFWSA-N -2 3 398.250 2.376 20 0 GEADHL Cc1c(Cl)nccc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000811835717 653409466 /nfs/dbraw/zinc/40/94/66/653409466.db2.gz LAQHVUVQWVGRAB-UHFFFAOYSA-N -2 3 393.849 2.355 20 0 GEADHL CCCC[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)C(=O)[O-] ZINC000837286992 653418688 /nfs/dbraw/zinc/41/86/88/653418688.db2.gz RPSPOKVHZXYQQC-VIFPVBQESA-N -2 3 385.667 2.419 20 0 GEADHL CC[C@H](CC[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC)C(=O)[O-] ZINC000837291504 653421616 /nfs/dbraw/zinc/42/16/16/653421616.db2.gz JPVMHTGYKJJUBD-MRVPVSSYSA-N -2 3 398.250 2.376 20 0 GEADHL O=C([O-])[C@H](F)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000837294921 653424220 /nfs/dbraw/zinc/42/42/20/653424220.db2.gz OUTRBOVAPCALLP-SSDOTTSWSA-N -2 3 394.140 2.169 20 0 GEADHL COCC[C@H](C)C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000840896356 653699189 /nfs/dbraw/zinc/69/91/89/653699189.db2.gz IIQVYZGEJBVTKC-ZETCQYMHSA-N -2 3 386.289 2.160 20 0 GEADHL C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)O1 ZINC000840898880 653699891 /nfs/dbraw/zinc/69/98/91/653699891.db2.gz XRESVKGPWOQPKY-NKWVEPMBSA-N -2 3 384.273 2.055 20 0 GEADHL COC(=O)c1sc(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])c(C)c1Cl ZINC000841776032 653740785 /nfs/dbraw/zinc/74/07/85/653740785.db2.gz IRRKNROUAYBXKH-UHFFFAOYSA-N -2 3 383.875 2.418 20 0 GEADHL O=C([O-])C[C@]1([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CCCOC1 ZINC000819107567 653743547 /nfs/dbraw/zinc/74/35/47/653743547.db2.gz KTGPUZADIPENLR-MRXNPFEDSA-N -2 3 382.463 2.112 20 0 GEADHL COC(=O)c1sc(S(=O)(=O)[N-]C[C@H](C)CCC(=O)[O-])c(C)c1Cl ZINC000788443590 653756796 /nfs/dbraw/zinc/75/67/96/653756796.db2.gz ZKDVLPMFWGZDHI-SSDOTTSWSA-N -2 3 383.875 2.276 20 0 GEADHL CCOc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC000821431105 653798425 /nfs/dbraw/zinc/79/84/25/653798425.db2.gz MLKFOEOPOBAXDK-UHFFFAOYSA-N -2 3 380.817 2.115 20 0 GEADHL CCOc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC000821431105 653798428 /nfs/dbraw/zinc/79/84/28/653798428.db2.gz MLKFOEOPOBAXDK-UHFFFAOYSA-N -2 3 380.817 2.115 20 0 GEADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC2=O)C(F)F ZINC000844802948 653818932 /nfs/dbraw/zinc/81/89/32/653818932.db2.gz GPLISNABQJWHIY-QMMMGPOBSA-N -2 3 381.784 2.103 20 0 GEADHL CC1(C)C[C@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)CCO1 ZINC000844895119 653825431 /nfs/dbraw/zinc/82/54/31/653825431.db2.gz FTGZHEOWMFSRNF-SSDOTTSWSA-N -2 3 398.300 2.445 20 0 GEADHL CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)[C@H]1OC ZINC000844898235 653827381 /nfs/dbraw/zinc/82/73/81/653827381.db2.gz YCYDCBVXTOLWLI-OPQQBVKSSA-N -2 3 398.264 2.162 20 0 GEADHL O=S(=O)(Cc1cccc(C(F)(F)F)c1)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000823566203 653871882 /nfs/dbraw/zinc/87/18/82/653871882.db2.gz BFGFQUPASCKQFZ-UHFFFAOYSA-N -2 3 390.372 2.284 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCC3(CCCC3)O2)c(F)cc1F ZINC000846771152 653909683 /nfs/dbraw/zinc/90/96/83/653909683.db2.gz PKZRCMIOJITQSR-SNVBAGLBSA-N -2 3 375.393 2.433 20 0 GEADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](CC(C)(C)C)C(=O)[O-])c1 ZINC000794761728 653918744 /nfs/dbraw/zinc/91/87/44/653918744.db2.gz FXTUBMKVYIOGAQ-GFCCVEGCSA-N -2 3 375.418 2.170 20 0 GEADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)(C)C)c1 ZINC000794762075 653919095 /nfs/dbraw/zinc/91/90/95/653919095.db2.gz HTRMABFSFDOLCN-CYBMUJFWSA-N -2 3 375.418 2.170 20 0 GEADHL Cn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C2CCC2)C2CCC2)nc1Cl ZINC000794774360 653920484 /nfs/dbraw/zinc/92/04/84/653920484.db2.gz FMXXUXFIPLDGSK-ZDUSSCGKSA-N -2 3 375.878 2.021 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)cnc1Br ZINC000826271637 653949253 /nfs/dbraw/zinc/94/92/53/653949253.db2.gz ZVQWGYLNQRRVAM-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cnc1Br ZINC000826271637 653949257 /nfs/dbraw/zinc/94/92/57/653949257.db2.gz ZVQWGYLNQRRVAM-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL COc1cc(F)c(S(=O)(=O)[N-][C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1F ZINC000899559728 654021963 /nfs/dbraw/zinc/02/19/63/654021963.db2.gz OFKGYVIEPVNQMT-LPEHRKFASA-N -2 3 377.409 2.387 20 0 GEADHL O=C([O-])CC1CC([N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)C1 ZINC000899930395 654038769 /nfs/dbraw/zinc/03/87/69/654038769.db2.gz DBUJHYOVXPNWAE-UHFFFAOYSA-N -2 3 383.651 2.029 20 0 GEADHL CO[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000899935447 654039398 /nfs/dbraw/zinc/03/93/98/654039398.db2.gz QPSNEVOELZXDEK-LDWIPMOCSA-N -2 3 375.752 2.125 20 0 GEADHL O=C([O-])C[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000899951357 654041817 /nfs/dbraw/zinc/04/18/17/654041817.db2.gz WDINZSRBECXWDF-GZMMTYOYSA-N -2 3 385.335 2.003 20 0 GEADHL Cc1cc(=O)[n-]c(N2CCN(C(=O)c3cc(Cl)cc(Cl)c3[O-])CC2)n1 ZINC000829682064 654076748 /nfs/dbraw/zinc/07/67/48/654076748.db2.gz ULEMXBRPRGOMPQ-UHFFFAOYSA-N -2 3 383.235 2.465 20 0 GEADHL C[C@@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC[C@H]1C(=O)[O-] ZINC000902170377 654166869 /nfs/dbraw/zinc/16/68/69/654166869.db2.gz TWGAYDUMTXIWAC-MWLCHTKSSA-N -2 3 393.237 2.473 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CC=C(C(=O)[O-])C2)c(Cl)cc1Cl ZINC000853070159 654276598 /nfs/dbraw/zinc/27/65/98/654276598.db2.gz VNWFVLYRJSBUOU-MRVPVSSYSA-N -2 3 394.232 2.232 20 0 GEADHL CO[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000871956785 654290899 /nfs/dbraw/zinc/29/08/99/654290899.db2.gz DFPISWQSIMZGEY-IUCAKERBSA-N -2 3 398.300 2.445 20 0 GEADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-][C@@H]2CO[C@H](C3CC3)C2)s1 ZINC000872001120 654308000 /nfs/dbraw/zinc/30/80/00/654308000.db2.gz VIXKZOFMBOVEQS-CBAPKCEASA-N -2 3 396.284 2.055 20 0 GEADHL C[S@](=O)(=NS(=O)(=O)[N-]CCc1c(F)cc([O-])cc1F)C1CCCCC1 ZINC000921968857 654349307 /nfs/dbraw/zinc/34/93/07/654349307.db2.gz PSXZDKDZPCHSAA-XMMPIXPASA-N -2 3 396.481 2.478 20 0 GEADHL O=C([O-])[C@H](C[C@H]1CCCO1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000906002181 654399279 /nfs/dbraw/zinc/39/92/79/654399279.db2.gz WHSDEWTVHWHJAJ-KOLCDFICSA-N -2 3 385.335 2.145 20 0 GEADHL CSC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC000906005216 654399996 /nfs/dbraw/zinc/39/99/96/654399996.db2.gz NHKRUNDTHPDWNB-SSDOTTSWSA-N -2 3 388.692 2.197 20 0 GEADHL CS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000157625994 531749804 /nfs/dbraw/zinc/74/98/04/531749804.db2.gz OCQIEVYQENTTHY-UHFFFAOYSA-N -2 3 380.369 2.276 20 0 GEADHL CCc1ccc(S(=O)(=O)[N-]c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)s1 ZINC000055586481 531796123 /nfs/dbraw/zinc/79/61/23/531796123.db2.gz JKEBLWUZGFFEOO-INIZCTEOSA-N -2 3 379.463 2.166 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(CS(C)(=O)=O)c2)cc1C(=O)[O-] ZINC000058496349 531831693 /nfs/dbraw/zinc/83/16/93/531831693.db2.gz LQYSJUKBLVHODB-UHFFFAOYSA-N -2 3 383.447 2.039 20 0 GEADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000172897087 531972165 /nfs/dbraw/zinc/97/21/65/531972165.db2.gz QDZSWPWSMSMSPE-UHFFFAOYSA-N -2 3 376.406 2.446 20 0 GEADHL O=S(=O)([N-]c1ccc(Cc2nnn[n-]2)cc1)c1ccccc1Br ZINC000122930663 532087248 /nfs/dbraw/zinc/08/72/48/532087248.db2.gz YMTLSUQXHSAMGG-UHFFFAOYSA-N -2 3 394.254 2.354 20 0 GEADHL O=S(=O)([N-]c1ccc(Cc2nn[n-]n2)cc1)c1ccccc1Br ZINC000122930663 532087251 /nfs/dbraw/zinc/08/72/51/532087251.db2.gz YMTLSUQXHSAMGG-UHFFFAOYSA-N -2 3 394.254 2.354 20 0 GEADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2c(F)cccc2Br)s1 ZINC000176116711 532126343 /nfs/dbraw/zinc/12/63/43/532126343.db2.gz DRBBLVPQYHRULW-UHFFFAOYSA-N -2 3 395.235 2.064 20 0 GEADHL O=C(c1cc(Cl)cc(Br)c1[O-])N1CCc2nc[n-]c(=O)c2C1 ZINC000179118938 532222570 /nfs/dbraw/zinc/22/25/70/532222570.db2.gz QDBOIWYHWBGOSZ-UHFFFAOYSA-N -2 3 384.617 2.090 20 0 GEADHL Cc1c(F)cccc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000135357290 532271162 /nfs/dbraw/zinc/27/11/62/532271162.db2.gz RXUPKUBIWVDZNN-UHFFFAOYSA-N -2 3 376.406 2.446 20 0 GEADHL O=S(=O)([N-]c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccccc1F ZINC000150868373 532303425 /nfs/dbraw/zinc/30/34/25/532303425.db2.gz GKKLGYQVPBJHML-UHFFFAOYSA-N -2 3 388.417 2.206 20 0 GEADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]C[C@H](c2cccs2)N(C)C)c1F ZINC000184873670 532335142 /nfs/dbraw/zinc/33/51/42/532335142.db2.gz TXMZEVSQJXGDAI-GFCCVEGCSA-N -2 3 386.470 2.475 20 0 GEADHL Cc1noc(C)c1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000184963465 532336116 /nfs/dbraw/zinc/33/61/16/532336116.db2.gz LIMTVXRQCXMSGL-UHFFFAOYSA-N -2 3 378.328 2.487 20 0 GEADHL COc1cc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)(F)F)ccc1Cl ZINC000516631557 532390121 /nfs/dbraw/zinc/39/01/21/532390121.db2.gz DOULIXTVBIHIKO-SSDOTTSWSA-N -2 3 375.752 2.280 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-]CCC(C)(C)CCC(=O)[O-])cc1F ZINC000559926185 532407884 /nfs/dbraw/zinc/40/78/84/532407884.db2.gz GBYJEJFLKLDWHU-UHFFFAOYSA-N -2 3 375.418 2.172 20 0 GEADHL CC[C@@H](CS(=O)(=O)[N-]c1cc(I)ccc1[O-])OC ZINC000591491381 532412706 /nfs/dbraw/zinc/41/27/06/532412706.db2.gz FJBSCSQLYOGUOS-VIFPVBQESA-N -2 3 385.223 2.164 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)[C@H](C(=O)[O-])C(C)C)c(Cl)c1 ZINC000591743641 532421474 /nfs/dbraw/zinc/42/14/74/532421474.db2.gz WTKNEYYBRQDKNJ-TVQRCGJNSA-N -2 3 377.846 2.150 20 0 GEADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H]2CCOC2)c1Cl ZINC000681566730 532430921 /nfs/dbraw/zinc/43/09/21/532430921.db2.gz NVLVUYOTNALBNN-BXKDBHETSA-N -2 3 382.265 2.378 20 0 GEADHL CCc1nc(=NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)s[n-]1 ZINC000561356749 532435434 /nfs/dbraw/zinc/43/54/34/532435434.db2.gz AGEJBQYIKQQRLL-UHFFFAOYSA-N -2 3 381.310 2.220 20 0 GEADHL Cc1noc([C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000650435876 532448561 /nfs/dbraw/zinc/44/85/61/532448561.db2.gz UGLKCMGSVFPUIE-ZCFIWIBFSA-N -2 3 379.316 2.135 20 0 GEADHL CO[C@H](CS(=O)(=O)[N-]c1cc(I)ccc1[O-])C1CC1 ZINC000592353711 532451645 /nfs/dbraw/zinc/45/16/45/532451645.db2.gz JQUAYTZRDXNEBY-GFCCVEGCSA-N -2 3 397.234 2.164 20 0 GEADHL CCc1cc(=O)n2[n-]c([N-]S(=O)(=O)c3cc(Cl)cc(Cl)c3)nc2n1 ZINC000519238153 532459112 /nfs/dbraw/zinc/45/91/12/532459112.db2.gz PXIQIFRUVQATAH-UHFFFAOYSA-N -2 3 388.236 2.088 20 0 GEADHL O=C([O-])C1([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Br)CC1 ZINC000282647193 532485602 /nfs/dbraw/zinc/48/56/02/532485602.db2.gz DIVYVHCYQGXDHW-UHFFFAOYSA-N -2 3 388.161 2.363 20 0 GEADHL O=C([O-])[C@H](C[C@@H]1CCCOC1)[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000629340674 532487090 /nfs/dbraw/zinc/48/70/90/532487090.db2.gz OUDGCFXGKBYEER-IUCAKERBSA-N -2 3 387.401 2.315 20 0 GEADHL COCCOc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)CCc1cccs1 ZINC000629340270 532487250 /nfs/dbraw/zinc/48/72/50/532487250.db2.gz LWJFEEIKZDPADK-UHFFFAOYSA-N -2 3 385.463 2.456 20 0 GEADHL COc1ccc(Br)cc1S(=O)(=O)[N-]CCC[C@H](C)C(=O)[O-] ZINC000229517532 532490520 /nfs/dbraw/zinc/49/05/20/532490520.db2.gz DVDPLNFJMZWLPW-VIFPVBQESA-N -2 3 380.260 2.237 20 0 GEADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)CCOCC1 ZINC000374445790 532504099 /nfs/dbraw/zinc/50/40/99/532504099.db2.gz CLYNDWMUHCYPJX-UHFFFAOYSA-N -2 3 398.662 2.015 20 0 GEADHL CO[C@H](CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)C(F)(F)F ZINC000469477657 532504060 /nfs/dbraw/zinc/50/40/60/532504060.db2.gz IUAHEROSVAHTLC-SNVBAGLBSA-N -2 3 375.752 2.284 20 0 GEADHL O=C([O-])C1([N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)CC1 ZINC000282922147 532507495 /nfs/dbraw/zinc/50/74/95/532507495.db2.gz SRNCOOVTVGQDDF-LBPRGKRZSA-N -2 3 389.857 2.183 20 0 GEADHL CC(C)(C)OC[C@H]([N-]S(=O)(=O)c1cscc1Br)C(=O)[O-] ZINC000630418703 532517707 /nfs/dbraw/zinc/51/77/07/532517707.db2.gz SLOILBYAGOUFIC-QMMMGPOBSA-N -2 3 386.289 2.057 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)[C@H]1CCCO1 ZINC000630423015 532518582 /nfs/dbraw/zinc/51/85/82/532518582.db2.gz PHHFBLVCWCFXRC-MWLCHTKSSA-N -2 3 387.763 2.269 20 0 GEADHL CCS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c1 ZINC000471135122 532542990 /nfs/dbraw/zinc/54/29/90/532542990.db2.gz ZSLSQCSQGFRXLD-UHFFFAOYSA-N -2 3 387.410 2.118 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)c2ccccc2)s1 ZINC000594679422 532519700 /nfs/dbraw/zinc/51/97/00/532519700.db2.gz CJKXFAJZDIAOQD-IINYFYTJSA-N -2 3 383.447 2.070 20 0 GEADHL CC(C)C[C@@H]([N-]S(=O)(=O)c1cc(Br)cc2c1OCC2)C(=O)[O-] ZINC000262373207 532592045 /nfs/dbraw/zinc/59/20/45/532592045.db2.gz FUICQPMZPDHGCY-LLVKDONJSA-N -2 3 392.271 2.162 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CC[C@H]2CC=CCC2)c(F)c1 ZINC000528529346 532570436 /nfs/dbraw/zinc/57/04/36/532570436.db2.gz QUPLMLULGFAYRI-LBPRGKRZSA-N -2 3 376.475 2.222 20 0 GEADHL CCOc1ccccc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000433594490 532572880 /nfs/dbraw/zinc/57/28/80/532572880.db2.gz MRYAIHNUEZRKKT-UHFFFAOYSA-N -2 3 388.442 2.397 20 0 GEADHL CC[C@H](CC[N-]S(=O)(=O)c1cc(Br)ccc1OC)C(=O)[O-] ZINC000297253611 532576818 /nfs/dbraw/zinc/57/68/18/532576818.db2.gz QVSPULWFQHSNIL-SECBINFHSA-N -2 3 380.260 2.237 20 0 GEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000566558351 532616281 /nfs/dbraw/zinc/61/62/81/532616281.db2.gz AHQXGUIPHZQNDU-FZZIBODNSA-N -2 3 389.857 2.139 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC2CCC2)C(=O)[O-])c(Cl)c1 ZINC000530420430 532619534 /nfs/dbraw/zinc/61/95/34/532619534.db2.gz VEXDCVSVKDUJAF-LBPRGKRZSA-N -2 3 375.830 2.048 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-][C@@H](C[C@@H]2CCCO2)C(F)(F)F)cc1C(=O)[O-] ZINC000656181596 532609269 /nfs/dbraw/zinc/60/92/69/532609269.db2.gz UQUKGFKHJXIPJF-GWCFXTLKSA-N -2 3 381.372 2.472 20 0 GEADHL O=C(Nc1nnc(SCCO)[n-]1)c1cc(Cl)cc(Br)c1[O-] ZINC000436864179 532645895 /nfs/dbraw/zinc/64/58/95/532645895.db2.gz LRBUBTWJLHKOPM-UHFFFAOYSA-N -2 3 393.650 2.263 20 0 GEADHL O=C(Nc1nc(SCCO)n[n-]1)c1cc(Cl)cc(Br)c1[O-] ZINC000436864179 532645899 /nfs/dbraw/zinc/64/58/99/532645899.db2.gz LRBUBTWJLHKOPM-UHFFFAOYSA-N -2 3 393.650 2.263 20 0 GEADHL O=C(Nc1n[n-]c(SCCO)n1)c1cc(Cl)cc(Br)c1[O-] ZINC000436864179 532645905 /nfs/dbraw/zinc/64/59/05/532645905.db2.gz LRBUBTWJLHKOPM-UHFFFAOYSA-N -2 3 393.650 2.263 20 0 GEADHL CO[C@H](CS(=O)(=O)[N-]c1ccc(S[C@@H](C)C(=O)[O-])cc1)[C@@H]1CCOC1 ZINC000656628388 532626911 /nfs/dbraw/zinc/62/69/11/532626911.db2.gz AFYPSYZKYIYUMP-YWPYICTPSA-N -2 3 389.495 2.045 20 0 GEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC000567231775 532646117 /nfs/dbraw/zinc/64/61/17/532646117.db2.gz SUOSJSPHPGIIGT-GFWSLJDESA-N -2 3 391.873 2.385 20 0 GEADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000436480189 532635341 /nfs/dbraw/zinc/63/53/41/532635341.db2.gz XIDYXFIOBQJYAS-UHFFFAOYSA-N -3 3 385.781 2.331 20 0 GEADHL CCC(=O)c1ccc([O-])c(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)c1 ZINC000436651949 532641620 /nfs/dbraw/zinc/64/16/20/532641620.db2.gz JCIQEVUGYRNMHT-SNVBAGLBSA-N -2 3 382.463 2.352 20 0 GEADHL COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]CC1(C(=O)[O-])CCC1 ZINC000567766992 532661717 /nfs/dbraw/zinc/66/17/17/532661717.db2.gz MGXOBLIGKQBXNI-UHFFFAOYSA-N -2 3 391.873 2.289 20 0 GEADHL C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1)c1ncc(C(=O)[O-])s1 ZINC000567886503 532670489 /nfs/dbraw/zinc/67/04/89/532670489.db2.gz POAOUTHPEZZINC-LURJTMIESA-N -2 3 381.357 2.295 20 0 GEADHL COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1cccc(C)c1 ZINC000603552485 532696188 /nfs/dbraw/zinc/69/61/88/532696188.db2.gz NKUWBOUREIAIFB-LBPRGKRZSA-N -2 3 383.447 2.337 20 0 GEADHL CO[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)CC(=O)[O-] ZINC000391033483 532706908 /nfs/dbraw/zinc/70/69/08/532706908.db2.gz CUHPZQBDNKYPTJ-QMMMGPOBSA-N -2 3 375.752 2.127 20 0 GEADHL Cc1ncc(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2F)c(=O)[n-]1 ZINC000541314147 532751483 /nfs/dbraw/zinc/75/14/83/532751483.db2.gz VGHOEFCOOVHOLU-UHFFFAOYSA-N -2 3 394.197 2.010 20 0 GEADHL Cc1nc(C2([N-]S(=O)(=O)c3cc(Cl)ccc3C(=O)[O-])CCCC2)no1 ZINC000583750836 532766443 /nfs/dbraw/zinc/76/64/43/532766443.db2.gz POKATRSZSSQRKU-UHFFFAOYSA-N -2 3 385.829 2.477 20 0 GEADHL O=C([O-])c1cccc(CC[N-]S(=O)(=O)c2cncc(Br)c2)c1 ZINC000315927657 532782759 /nfs/dbraw/zinc/78/27/59/532782759.db2.gz WUOIZNVUGZWTAV-UHFFFAOYSA-N -2 3 385.239 2.063 20 0 GEADHL CC(C)(C)OC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Br)C(=O)[O-] ZINC000320008690 532786440 /nfs/dbraw/zinc/78/64/40/532786440.db2.gz RCJIVYZWKAUPHR-JTQLQIEISA-N -2 3 398.250 2.135 20 0 GEADHL O=C([O-])[C@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000547570292 532786760 /nfs/dbraw/zinc/78/67/60/532786760.db2.gz UMBMJDOIWSUPAS-NSHDSACASA-N -2 3 375.374 2.031 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(Cl)c2)oc1C ZINC000547612561 532787760 /nfs/dbraw/zinc/78/77/60/532787760.db2.gz QOOGYISATDPJRB-CYBMUJFWSA-N -2 3 387.797 2.132 20 0 GEADHL O=C([O-])COc1ccc(CC[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1 ZINC000547910000 532788163 /nfs/dbraw/zinc/78/81/63/532788163.db2.gz WDUNFQBOGLOUJB-UHFFFAOYSA-N -2 3 387.816 2.464 20 0 GEADHL CC(C)(C)OC(=O)C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000325632722 532789384 /nfs/dbraw/zinc/78/93/84/532789384.db2.gz UQTXKDWQPLEUMB-JTQLQIEISA-N -2 3 398.264 2.457 20 0 GEADHL Cc1cc(F)c(S(=O)(=O)[N-][C@H](CC(=O)c2cccs2)C(=O)[O-])cc1F ZINC000548221345 532789844 /nfs/dbraw/zinc/78/98/44/532789844.db2.gz VEHGTGQRHOETKW-LLVKDONJSA-N -2 3 389.401 2.339 20 0 GEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]CC[C@H]1CCCCO1 ZINC000326736481 532790947 /nfs/dbraw/zinc/79/09/47/532790947.db2.gz HZHQHBCPZXCLSO-LLVKDONJSA-N -2 3 377.846 2.284 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2c(C)n[nH]c2C)cc1F ZINC000270642914 532800352 /nfs/dbraw/zinc/80/03/52/532800352.db2.gz KVSFYNPGJKQXJP-UHFFFAOYSA-N -2 3 390.462 2.118 20 0 GEADHL O=S(=O)([N-][C@H](C1CC1)C(F)(F)F)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000288309841 532824467 /nfs/dbraw/zinc/82/44/67/532824467.db2.gz HOMFYHDIBCRMDH-SNVBAGLBSA-N -2 3 381.767 2.139 20 0 GEADHL O=S(=O)([N-][C@H](C1CC1)C(F)(F)F)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000288309841 532824470 /nfs/dbraw/zinc/82/44/70/532824470.db2.gz HOMFYHDIBCRMDH-SNVBAGLBSA-N -2 3 381.767 2.139 20 0 GEADHL C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1OC(F)(F)F)c1csnn1 ZINC000414393768 532824682 /nfs/dbraw/zinc/82/46/82/532824682.db2.gz ONZMDDSWYFPIIC-LURJTMIESA-N -2 3 397.356 2.174 20 0 GEADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl)C(=O)NC(C)(C)C ZINC000273621952 532828662 /nfs/dbraw/zinc/82/86/62/532828662.db2.gz AUKFXQXLJLWLIF-ZETCQYMHSA-N -2 3 397.280 2.273 20 0 GEADHL Cc1noc(C)c1C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000273782883 532834077 /nfs/dbraw/zinc/83/40/77/532834077.db2.gz ZGIWLQFRCPAMLA-UHFFFAOYSA-N -2 3 395.256 2.292 20 0 GEADHL CCC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(-c2csc(C)n2)s1)C(=O)[O-] ZINC000274946731 532860243 /nfs/dbraw/zinc/86/02/43/532860243.db2.gz FUMZHYVZTGNJEL-SNVBAGLBSA-N -2 3 388.492 2.281 20 0 GEADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CC[C@H](C)CC(=O)[O-] ZINC000274970132 532860668 /nfs/dbraw/zinc/86/06/68/532860668.db2.gz IPWKGHUFHHGHRK-QMMMGPOBSA-N -2 3 398.250 2.376 20 0 GEADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](CC(=O)[O-])CC(C)(C)C ZINC000275088059 532864298 /nfs/dbraw/zinc/86/42/98/532864298.db2.gz ZZUUJUATAKQZTI-LLVKDONJSA-N -2 3 375.418 2.170 20 0 GEADHL O=C([O-])[C@@H](CC(F)F)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000275319295 532872412 /nfs/dbraw/zinc/87/24/12/532872412.db2.gz SDHFHUWONGHRHH-SSDOTTSWSA-N -2 3 392.605 2.489 20 0 GEADHL CC(C)(C)[N-]S(=O)(=O)c1cc([N-]S(=O)(=O)c2ccco2)ccc1F ZINC000275710916 532881910 /nfs/dbraw/zinc/88/19/10/532881910.db2.gz MEIKKDDBKYDEKP-UHFFFAOYSA-N -2 3 376.431 2.296 20 0 GEADHL COC(=O)[C@@H](CN=c1nc(C(F)(F)F)[n-]s1)Cc1ccc([O-])c(F)c1 ZINC000420642232 532884879 /nfs/dbraw/zinc/88/48/79/532884879.db2.gz VMRLSLBSFLWFIL-MRVPVSSYSA-N -2 3 379.335 2.267 20 0 GEADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2cccc3c2OCC3)c1 ZINC000421143394 532888013 /nfs/dbraw/zinc/88/80/13/532888013.db2.gz AFOAVKWGUWJART-UHFFFAOYSA-N -2 3 382.463 2.102 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)nn1C(C)C ZINC000421169276 532889325 /nfs/dbraw/zinc/88/93/25/532889325.db2.gz ARRAGZCFROZUDG-UHFFFAOYSA-N -2 3 390.462 2.084 20 0 GEADHL Cc1nn(C)c(C)c1[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-] ZINC000290933216 532893340 /nfs/dbraw/zinc/89/33/40/532893340.db2.gz JLXOBWBNTKPLSJ-NSHDSACASA-N -2 3 397.400 2.221 20 0 GEADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]CCOCC(F)F)c1 ZINC000276395068 532894932 /nfs/dbraw/zinc/89/49/32/532894932.db2.gz NPLPOVJSBGSXHK-UHFFFAOYSA-N -2 3 378.180 2.252 20 0 GEADHL COCC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000291855663 532909619 /nfs/dbraw/zinc/90/96/19/532909619.db2.gz GEKJZMBOSORIEX-UHFFFAOYSA-N -2 3 386.289 2.160 20 0 GEADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]C2(c3noc(C(F)F)n3)CCC2)s1 ZINC000368365963 532931977 /nfs/dbraw/zinc/93/19/77/532931977.db2.gz XEPBBANVELHTQF-UHFFFAOYSA-N -2 3 393.393 2.054 20 0 GEADHL O=S(=O)([N-]c1ccc2scnc2c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738342783 598844437 /nfs/dbraw/zinc/84/44/37/598844437.db2.gz QCYNELJESUVKRB-UHFFFAOYSA-N -2 3 376.398 2.416 20 0 GEADHL O=S(=O)([N-]c1ccc2scnc2c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738342783 598844439 /nfs/dbraw/zinc/84/44/39/598844439.db2.gz QCYNELJESUVKRB-UHFFFAOYSA-N -2 3 376.398 2.416 20 0 GEADHL CCc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c(C(=O)[O-])c1 ZINC000736691100 598845046 /nfs/dbraw/zinc/84/50/46/598845046.db2.gz NXPDUANRKDPEGA-UHFFFAOYSA-N -3 3 391.384 2.067 20 0 GEADHL CCc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c(C(=O)[O-])c1 ZINC000736691100 598845048 /nfs/dbraw/zinc/84/50/48/598845048.db2.gz NXPDUANRKDPEGA-UHFFFAOYSA-N -3 3 391.384 2.067 20 0 GEADHL Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000737441588 598845733 /nfs/dbraw/zinc/84/57/33/598845733.db2.gz HDFLWFHFBKQVQA-UHFFFAOYSA-N -2 3 399.411 2.301 20 0 GEADHL Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000737441588 598845734 /nfs/dbraw/zinc/84/57/34/598845734.db2.gz HDFLWFHFBKQVQA-UHFFFAOYSA-N -2 3 399.411 2.301 20 0 GEADHL CCC(CC)S(=O)(=O)[N-]C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000736349716 598858158 /nfs/dbraw/zinc/85/81/58/598858158.db2.gz JKRWARINTMPKNH-UHFFFAOYSA-N -2 3 395.485 2.050 20 0 GEADHL CCC(CC)S(=O)(=O)[N-]C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736349716 598858159 /nfs/dbraw/zinc/85/81/59/598858159.db2.gz JKRWARINTMPKNH-UHFFFAOYSA-N -2 3 395.485 2.050 20 0 GEADHL CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736646779 598931312 /nfs/dbraw/zinc/93/13/12/598931312.db2.gz JWQRENQQGDJNKV-UHFFFAOYSA-N -2 3 389.437 2.383 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCCc2ccccc21 ZINC000737297546 598976023 /nfs/dbraw/zinc/97/60/23/598976023.db2.gz BHLLVTKAMNSZAS-INIZCTEOSA-N -2 3 397.460 2.100 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCCc2ccccc21 ZINC000737297546 598976024 /nfs/dbraw/zinc/97/60/24/598976024.db2.gz BHLLVTKAMNSZAS-INIZCTEOSA-N -2 3 397.460 2.100 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1sccc1C1CC1 ZINC000737297578 598976487 /nfs/dbraw/zinc/97/64/87/598976487.db2.gz CRKCFRFGDVJMBS-UHFFFAOYSA-N -2 3 389.462 2.233 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1sccc1C1CC1 ZINC000737297578 598976489 /nfs/dbraw/zinc/97/64/89/598976489.db2.gz CRKCFRFGDVJMBS-UHFFFAOYSA-N -2 3 389.462 2.233 20 0 GEADHL CN(c1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000821619313 599302349 /nfs/dbraw/zinc/30/23/49/599302349.db2.gz QWZNJHDRAKEVPE-UHFFFAOYSA-N -2 3 393.812 2.043 20 0 GEADHL CS(=O)(=O)[N-]C(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000737165158 599219068 /nfs/dbraw/zinc/21/90/68/599219068.db2.gz HAJGJVNAZVDOGY-UHFFFAOYSA-N -2 3 393.812 2.002 20 0 GEADHL CS(=O)(=O)[N-]C(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000737165158 599219070 /nfs/dbraw/zinc/21/90/70/599219070.db2.gz HAJGJVNAZVDOGY-UHFFFAOYSA-N -2 3 393.812 2.002 20 0 GEADHL O=C([O-])[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC000532676986 597495131 /nfs/dbraw/zinc/49/51/31/597495131.db2.gz AHOPPLCJPSIZMZ-CYBMUJFWSA-N -2 3 392.408 2.173 20 0 GEADHL CCc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821492523 607304541 /nfs/dbraw/zinc/30/45/41/607304541.db2.gz PKCOUQGMCSEQIT-UHFFFAOYSA-N -2 3 391.840 2.201 20 0 GEADHL CCc1ccccc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821492523 607304542 /nfs/dbraw/zinc/30/45/42/607304542.db2.gz PKCOUQGMCSEQIT-UHFFFAOYSA-N -2 3 391.840 2.201 20 0 GEADHL Cn1nccc1S(=O)(=O)[N-]c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737627653 598283578 /nfs/dbraw/zinc/28/35/78/598283578.db2.gz MAJFSVQCWGNTKG-UHFFFAOYSA-N -2 3 397.420 2.193 20 0 GEADHL O=S(=O)([N-]c1cccnc1N1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738342137 598333238 /nfs/dbraw/zinc/33/32/38/598333238.db2.gz MBMDQZBOYHXBOG-UHFFFAOYSA-N -2 3 385.453 2.053 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(C(F)F)cc1 ZINC000738140355 598363808 /nfs/dbraw/zinc/36/38/08/598363808.db2.gz SNYHQEDIQVFMIS-UHFFFAOYSA-N -2 3 393.375 2.064 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(C(F)F)cc1 ZINC000738140355 598363809 /nfs/dbraw/zinc/36/38/09/598363809.db2.gz SNYHQEDIQVFMIS-UHFFFAOYSA-N -2 3 393.375 2.064 20 0 GEADHL O=C(CC1CCCCC1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737820408 598417082 /nfs/dbraw/zinc/41/70/82/598417082.db2.gz JMUYPGLOUDFNJL-UHFFFAOYSA-N -2 3 383.861 2.295 20 0 GEADHL O=C(CC1CCCCC1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737820408 598417083 /nfs/dbraw/zinc/41/70/83/598417083.db2.gz JMUYPGLOUDFNJL-UHFFFAOYSA-N -2 3 383.861 2.295 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n(-c2ccccc2F)n1 ZINC000737279877 598438003 /nfs/dbraw/zinc/43/80/03/598438003.db2.gz FRSVCWNNTPMPDQ-UHFFFAOYSA-N -2 3 399.411 2.301 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n(-c2ccccc2F)n1 ZINC000737279877 598438005 /nfs/dbraw/zinc/43/80/05/598438005.db2.gz FRSVCWNNTPMPDQ-UHFFFAOYSA-N -2 3 399.411 2.301 20 0 GEADHL CCc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736690966 598536408 /nfs/dbraw/zinc/53/64/08/598536408.db2.gz XCQMYMBRGWOCAZ-GFCCVEGCSA-N -2 3 385.449 2.038 20 0 GEADHL CCc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736690966 598536410 /nfs/dbraw/zinc/53/64/10/598536410.db2.gz XCQMYMBRGWOCAZ-GFCCVEGCSA-N -2 3 385.449 2.038 20 0 GEADHL Cn1cc(S(=O)(=O)[N-]c2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)cn1 ZINC000737611216 598557104 /nfs/dbraw/zinc/55/71/04/598557104.db2.gz SRVJKFBPWFNJRC-UHFFFAOYSA-N -2 3 397.420 2.193 20 0 GEADHL Cn1cc(S(=O)(=O)[N-]c2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)cn1 ZINC000737611216 598557106 /nfs/dbraw/zinc/55/71/06/598557106.db2.gz SRVJKFBPWFNJRC-UHFFFAOYSA-N -2 3 397.420 2.193 20 0 GEADHL O=S(=O)([N-]c1ccc(F)c(-c2nnn[n-]2)c1)c1cnn(Cc2ccccc2)c1 ZINC000738342111 598594666 /nfs/dbraw/zinc/59/46/66/598594666.db2.gz LBRZOUSJDAAZBU-UHFFFAOYSA-N -2 3 399.411 2.051 20 0 GEADHL O=S(=O)([N-]c1ccc(F)c(-c2nn[n-]n2)c1)c1cnn(Cc2ccccc2)c1 ZINC000738342111 598594667 /nfs/dbraw/zinc/59/46/67/598594667.db2.gz LBRZOUSJDAAZBU-UHFFFAOYSA-N -2 3 399.411 2.051 20 0 GEADHL O=S(=O)([N-]c1ccc(N2CCCCCC2)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738342131 598608266 /nfs/dbraw/zinc/60/82/66/598608266.db2.gz LVKFDCGZOOCHLB-UHFFFAOYSA-N -2 3 399.480 2.443 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000737296288 598663482 /nfs/dbraw/zinc/66/34/82/598663482.db2.gz INLDNDOQGCVJHC-UHFFFAOYSA-N -2 3 395.857 2.339 20 0 GEADHL COc1ccc(-c2nc(SCc3noc(C)n3)[n-]c(=O)c2-c2nn[n-]n2)cc1 ZINC000737057629 598718291 /nfs/dbraw/zinc/71/82/91/598718291.db2.gz RIWGLVOZHFQQBD-UHFFFAOYSA-N -2 3 398.408 2.022 20 0 GEADHL CC[C@@H](CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736332488 598786449 /nfs/dbraw/zinc/78/64/49/598786449.db2.gz NKIKKRQYWWCOFF-HNNXBMFYSA-N -2 3 399.476 2.397 20 0 GEADHL CC[C@@H](CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736332488 598786450 /nfs/dbraw/zinc/78/64/50/598786450.db2.gz NKIKKRQYWWCOFF-HNNXBMFYSA-N -2 3 399.476 2.397 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1cccc(C(F)F)c1 ZINC000738138006 598799842 /nfs/dbraw/zinc/79/98/42/598799842.db2.gz CBDMFYLHNKJUSZ-UHFFFAOYSA-N -2 3 393.375 2.064 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1cccc(C(F)F)c1 ZINC000738138006 598799843 /nfs/dbraw/zinc/79/98/43/598799843.db2.gz CBDMFYLHNKJUSZ-UHFFFAOYSA-N -2 3 393.375 2.064 20 0 GEADHL Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737487395 598807940 /nfs/dbraw/zinc/80/79/40/598807940.db2.gz IGXGLYYZOYJDNG-UHFFFAOYSA-N -2 3 398.814 2.066 20 0 GEADHL CN(c1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000821619313 599302347 /nfs/dbraw/zinc/30/23/47/599302347.db2.gz QWZNJHDRAKEVPE-UHFFFAOYSA-N -2 3 393.812 2.043 20 0 GEADHL C[C@H](OC(=O)c1c(F)cc([O-])cc1F)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736158932 599367099 /nfs/dbraw/zinc/36/70/99/599367099.db2.gz KHJVOUNIXKTKLL-QMMMGPOBSA-N -2 3 389.318 2.035 20 0 GEADHL C[C@H](OC(=O)c1c(F)cc([O-])cc1F)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736158932 599367102 /nfs/dbraw/zinc/36/71/02/599367102.db2.gz KHJVOUNIXKTKLL-QMMMGPOBSA-N -2 3 389.318 2.035 20 0 GEADHL COc1ccc(-c2nc(SCc3nonc3C)[n-]c(=O)c2-c2nn[n-]n2)cc1 ZINC000737057866 599463322 /nfs/dbraw/zinc/46/33/22/599463322.db2.gz UKROFZOEQWHWPD-UHFFFAOYSA-N -2 3 398.408 2.022 20 0 GEADHL CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000821051135 599619971 /nfs/dbraw/zinc/61/99/71/599619971.db2.gz YORKPVVIQHSHAT-CYBMUJFWSA-N -2 3 379.486 2.419 20 0 GEADHL CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000821051135 599619972 /nfs/dbraw/zinc/61/99/72/599619972.db2.gz YORKPVVIQHSHAT-CYBMUJFWSA-N -2 3 379.486 2.419 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)C1CCCCCCC1 ZINC000823284333 599620124 /nfs/dbraw/zinc/62/01/24/599620124.db2.gz DQCQCQPLUFJAPQ-UHFFFAOYSA-N -2 3 377.470 2.173 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)C1CCCCCCC1 ZINC000823284333 599620125 /nfs/dbraw/zinc/62/01/25/599620125.db2.gz DQCQCQPLUFJAPQ-UHFFFAOYSA-N -2 3 377.470 2.173 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)[C@H]1C[C@H]1C1CCCCC1 ZINC000823285721 599620585 /nfs/dbraw/zinc/62/05/85/599620585.db2.gz ZSQBTXUBIYQPSJ-HOTGVXAUSA-N -2 3 389.481 2.029 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)[C@H]1C[C@H]1C1CCCCC1 ZINC000823285721 599620586 /nfs/dbraw/zinc/62/05/86/599620586.db2.gz ZSQBTXUBIYQPSJ-HOTGVXAUSA-N -2 3 389.481 2.029 20 0 GEADHL Cc1ccc(-n2[n-]c(C(=O)Nc3cc(-c4nnn[n-]4)ccc3C)cc2=O)cc1 ZINC000822223967 599698567 /nfs/dbraw/zinc/69/85/67/599698567.db2.gz QKMFSKXDCJEKRU-UHFFFAOYSA-N -2 3 375.392 2.215 20 0 GEADHL Cc1ccc(-n2[n-]c(C(=O)Nc3cc(-c4nn[n-]n4)ccc3C)cc2=O)cc1 ZINC000822223967 599698568 /nfs/dbraw/zinc/69/85/68/599698568.db2.gz QKMFSKXDCJEKRU-UHFFFAOYSA-N -2 3 375.392 2.215 20 0 GEADHL C[C@H]([N-]S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1)C(=O)[O-] ZINC000535512610 599713412 /nfs/dbraw/zinc/71/34/12/599713412.db2.gz XPDGGIOYNDZKMC-ZETCQYMHSA-N -2 3 391.268 2.324 20 0 GEADHL CC[C@H](C)[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(=O)[O-] ZINC000737238512 599743905 /nfs/dbraw/zinc/74/39/05/599743905.db2.gz VIEFLQLPTDKMON-HZMBPMFUSA-N -2 3 388.461 2.132 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCN(c3ccc(Cl)cc3)C2)o1 ZINC000740175678 599775158 /nfs/dbraw/zinc/77/51/58/599775158.db2.gz SVVYAMCHQDRCCN-NSHDSACASA-N -2 3 384.841 2.436 20 0 GEADHL Cc1nc(COc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)cc2)no1 ZINC000594576672 599838647 /nfs/dbraw/zinc/83/86/47/599838647.db2.gz UKXPGKSZENMOBT-UHFFFAOYSA-N -2 3 389.389 2.456 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)ccc1OCC(=O)[O-] ZINC000738477073 599854026 /nfs/dbraw/zinc/85/40/26/599854026.db2.gz HXRUMEKNSZUWRX-UHFFFAOYSA-N -3 3 393.417 2.276 20 0 GEADHL COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)c1C ZINC000504508818 599907607 /nfs/dbraw/zinc/90/76/07/599907607.db2.gz YSZILCJQYJTKGW-UHFFFAOYSA-N -2 3 393.417 2.436 20 0 GEADHL Cc1cc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Br)no1 ZINC000738393704 599982576 /nfs/dbraw/zinc/98/25/76/599982576.db2.gz XTJHNXCMYSIHFJ-UHFFFAOYSA-N -2 3 393.190 2.061 20 0 GEADHL Cc1cc(C(=O)[O-])c2sc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)nc2n1 ZINC000738343229 600047563 /nfs/dbraw/zinc/04/75/63/600047563.db2.gz RJGJLCFPGNFJFO-UHFFFAOYSA-N -2 3 387.421 2.382 20 0 GEADHL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cc2)c1C(=O)[O-] ZINC000738970966 600104417 /nfs/dbraw/zinc/10/44/17/600104417.db2.gz ZINKZEZBGHBZDT-UHFFFAOYSA-N -2 3 393.465 2.147 20 0 GEADHL CCOC(=O)[C@@]1([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)CCc2ccccc21 ZINC000737134995 600312647 /nfs/dbraw/zinc/31/26/47/600312647.db2.gz ULSPRTJXPJXPET-LJQANCHMSA-N -2 3 389.429 2.068 20 0 GEADHL O=S(=O)([N-]c1cc(C(F)(F)F)[nH]n1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823583712 607442260 /nfs/dbraw/zinc/44/22/60/607442260.db2.gz ZCLYIKCNJGBMKQ-UHFFFAOYSA-N -2 3 393.738 2.063 20 0 GEADHL O=S(=O)([N-]c1cc(C(F)(F)F)[nH]n1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823583712 607442261 /nfs/dbraw/zinc/44/22/61/607442261.db2.gz ZCLYIKCNJGBMKQ-UHFFFAOYSA-N -2 3 393.738 2.063 20 0 GEADHL O=C([O-])Nc1ccc(CCNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000740017591 600465080 /nfs/dbraw/zinc/46/50/80/600465080.db2.gz PLJWNVALNKGXSJ-KRWDZBQOSA-N -2 3 397.431 2.446 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)NCc2ccc(C(=O)[O-])o2)cc1OC ZINC000737226421 600525599 /nfs/dbraw/zinc/52/55/99/600525599.db2.gz LSRMMLBVGJHRHN-UHFFFAOYSA-N -2 3 397.409 2.070 20 0 GEADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCOC3)cc2)cc1 ZINC000265701863 600545891 /nfs/dbraw/zinc/54/58/91/600545891.db2.gz DWDPKWCEYFIDOV-INIZCTEOSA-N -2 3 393.417 2.119 20 0 GEADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCOC3)cc2)cc1 ZINC000267138967 600545932 /nfs/dbraw/zinc/54/59/32/600545932.db2.gz FBPHSXITFAETMY-MRXNPFEDSA-N -2 3 377.418 2.282 20 0 GEADHL CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cc(C(=O)[O-])ccc3F)cc21 ZINC000604303900 600612193 /nfs/dbraw/zinc/61/21/93/600612193.db2.gz LDVFAJSCXZIOQA-UHFFFAOYSA-N -2 3 378.381 2.234 20 0 GEADHL COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)c(C)c2)ccc1C(=O)[O-] ZINC000831326865 600687684 /nfs/dbraw/zinc/68/76/84/600687684.db2.gz BNKJTOPAMHDZAO-UHFFFAOYSA-N -2 3 379.390 2.289 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(F)c2)cc1C(=O)[O-] ZINC000048383034 600812433 /nfs/dbraw/zinc/81/24/33/600812433.db2.gz YEWDVBPBMBJRFG-UHFFFAOYSA-N -2 3 376.369 2.214 20 0 GEADHL COC(=O)c1cc(C)nc2nc(SCc3ccoc3C(=O)[O-])[n-]c(=O)c21 ZINC000831248813 600837179 /nfs/dbraw/zinc/83/71/79/600837179.db2.gz RUMGZKMHUCRWJP-UHFFFAOYSA-N -2 3 375.362 2.409 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(CC(=O)N(C)C)cc2)ccc1C(=O)[O-] ZINC000506708708 600888640 /nfs/dbraw/zinc/88/86/40/600888640.db2.gz SKKQTFNYIZXJRV-UHFFFAOYSA-N -2 3 376.434 2.125 20 0 GEADHL O=C([O-])Cc1nc([N-]C(=O)c2ccc(Sc3ccccc3Cl)nn2)n[nH]1 ZINC000833269574 600957240 /nfs/dbraw/zinc/95/72/40/600957240.db2.gz FEISOTXUIIPXDM-UHFFFAOYSA-N -2 3 390.812 2.279 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@H]2CCN(c3ccccc3)C2)c1F ZINC000833294024 600994722 /nfs/dbraw/zinc/99/47/22/600994722.db2.gz LPLKPXNNKIOPFP-GFCCVEGCSA-N -2 3 396.415 2.468 20 0 GEADHL Cc1oc(S(=O)(=O)[N-]Cc2cnn(Cc3ccccc3)c2)cc1C(=O)[O-] ZINC000833027536 601217246 /nfs/dbraw/zinc/21/72/46/601217246.db2.gz VJQLQCWYJGTKKZ-UHFFFAOYSA-N -2 3 375.406 2.010 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](CCC(=O)[O-])c2ccccc2)oc1C ZINC000275303121 601220319 /nfs/dbraw/zinc/22/03/19/601220319.db2.gz QRPJXPFBHZTMSK-CQSZACIVSA-N -2 3 381.406 2.259 20 0 GEADHL CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1ccccc1 ZINC000830585228 601228197 /nfs/dbraw/zinc/22/81/97/601228197.db2.gz TWYKZRLHOATCHY-CYBMUJFWSA-N -2 3 384.404 2.244 20 0 GEADHL CC1(C)[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)[C@@H]2CCCO[C@@H]21 ZINC000828051003 601238133 /nfs/dbraw/zinc/23/81/33/601238133.db2.gz SPSRTOYWNPNIOF-PCTYZZJISA-N -2 3 375.393 2.145 20 0 GEADHL CCC1CCC([N-]S(=O)(=O)c2ccc(C(=O)OC)s2)(C(=O)[O-])CC1 ZINC000829112883 601260630 /nfs/dbraw/zinc/26/06/30/601260630.db2.gz PFCMHDKXPXASEC-UHFFFAOYSA-N -2 3 375.468 2.237 20 0 GEADHL O=C([O-])CC1([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCOCC1 ZINC000833206457 601270834 /nfs/dbraw/zinc/27/08/34/601270834.db2.gz UOQCBAILJBQLJJ-UHFFFAOYSA-N -2 3 385.335 2.147 20 0 GEADHL COCC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cc1 ZINC000028252405 601320861 /nfs/dbraw/zinc/32/08/61/601320861.db2.gz LXOFNXRRJSQVFM-UHFFFAOYSA-N -2 3 392.433 2.387 20 0 GEADHL CN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)ccc21 ZINC000729666919 601329753 /nfs/dbraw/zinc/32/97/53/601329753.db2.gz HWPHSAOIVVAWSC-UHFFFAOYSA-N -2 3 378.381 2.234 20 0 GEADHL COC(=O)[C@H]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000831084661 601388426 /nfs/dbraw/zinc/38/84/26/601388426.db2.gz PPIQNLKFUUMMKX-CQSZACIVSA-N -2 3 383.809 2.231 20 0 GEADHL CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)o1 ZINC000829881649 601401630 /nfs/dbraw/zinc/40/16/30/601401630.db2.gz RIFKSJGPJSJMPI-UHFFFAOYSA-N -2 3 387.797 2.286 20 0 GEADHL CC[S@](=O)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000830145285 601442902 /nfs/dbraw/zinc/44/29/02/601442902.db2.gz NTNQIIQAJZWKFG-IGSRQBSMSA-N -2 3 395.449 2.021 20 0 GEADHL O=C([O-])CC1(CS(=O)(=O)[N-]Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000833203352 601516305 /nfs/dbraw/zinc/51/63/05/601516305.db2.gz HXULKXBWJFGTMK-UHFFFAOYSA-N -2 3 385.829 2.064 20 0 GEADHL CCOC(=O)c1sc2[n-]c([C@H](C)N3C[C@@H](C)[C@H](C(=O)[O-])C3)nc(=O)c2c1C ZINC000829901019 601522761 /nfs/dbraw/zinc/52/27/61/601522761.db2.gz IKQRDZXWGAOCRR-DVVUODLYSA-N -2 3 393.465 2.183 20 0 GEADHL CC[C@H]1CCCCN1Cc1nc(=O)c2c(CC(=O)[O-])c(C(=O)OC)sc2[n-]1 ZINC000829118545 601549354 /nfs/dbraw/zinc/54/93/54/601549354.db2.gz JEKMIXZPGVGLGY-JTQLQIEISA-N -2 3 393.465 2.163 20 0 GEADHL CCOC(=O)c1sc2[n-]c([C@H](C)N3CC[C@@](F)(C(=O)[O-])C3)nc(=O)c2c1C ZINC000829901787 601552799 /nfs/dbraw/zinc/55/27/99/601552799.db2.gz RROJGTZRHBZVDE-XYZCENFISA-N -2 3 397.428 2.029 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2cc(=O)[nH]c3ccccc23)c1F ZINC000833294722 601579964 /nfs/dbraw/zinc/57/99/64/601579964.db2.gz VSFJZOJNLGHHSJ-UHFFFAOYSA-N -2 3 394.355 2.395 20 0 GEADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)ccc1F ZINC000831029128 601624336 /nfs/dbraw/zinc/62/43/36/601624336.db2.gz IDISLKFGXHITSY-HNNXBMFYSA-N -2 3 394.424 2.070 20 0 GEADHL CCCCC[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C(=O)[O-] ZINC000829333377 601638681 /nfs/dbraw/zinc/63/86/81/601638681.db2.gz MHFWUBQHXBYAIX-CQSZACIVSA-N -2 3 386.445 2.030 20 0 GEADHL O=C([O-])[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C1CC1 ZINC000554282661 601702162 /nfs/dbraw/zinc/70/21/62/601702162.db2.gz HBPLJGRMBKBJOZ-MRXNPFEDSA-N -2 3 392.408 2.220 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-n3nccn3)cc2)ccc1Cl ZINC000327306865 601827341 /nfs/dbraw/zinc/82/73/41/601827341.db2.gz OUACUSRBJCFTMD-UHFFFAOYSA-N -2 3 378.797 2.420 20 0 GEADHL CCC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1 ZINC000825035257 607533267 /nfs/dbraw/zinc/53/32/67/607533267.db2.gz ZABGVQUMPCATAY-UHFFFAOYSA-N -2 3 386.437 2.324 20 0 GEADHL CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c1 ZINC000824000019 607533442 /nfs/dbraw/zinc/53/34/42/607533442.db2.gz QXUXTBRRBQGCRF-UHFFFAOYSA-N -2 3 386.437 2.243 20 0 GEADHL CCOc1cc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)ccc1OC ZINC000825615706 607533748 /nfs/dbraw/zinc/53/37/48/607533748.db2.gz HMJZFTVHPXIQIZ-UHFFFAOYSA-N -2 3 389.437 2.383 20 0 GEADHL COc1cc(OC)c([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)cc1F ZINC000826181058 607535964 /nfs/dbraw/zinc/53/59/64/607535964.db2.gz JGLPOTXOAIZJDF-UHFFFAOYSA-N -2 3 393.400 2.132 20 0 GEADHL COc1cc(OC)c([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1F ZINC000826181058 607535966 /nfs/dbraw/zinc/53/59/66/607535966.db2.gz JGLPOTXOAIZJDF-UHFFFAOYSA-N -2 3 393.400 2.132 20 0 GEADHL COc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)c(C(=O)[O-])c1 ZINC000758164912 601984220 /nfs/dbraw/zinc/98/42/20/601984220.db2.gz VAHGBTZHJBTETQ-UHFFFAOYSA-N -3 3 383.353 2.340 20 0 GEADHL COCCOc1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)cc1C ZINC000525687443 601986728 /nfs/dbraw/zinc/98/67/28/601986728.db2.gz PKXJIYCSMMDQRS-UHFFFAOYSA-N -2 3 379.434 2.448 20 0 GEADHL O=C([O-])NC1(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])CCCCC1 ZINC000740545971 602031379 /nfs/dbraw/zinc/03/13/79/602031379.db2.gz SCJSXYGCJKPKME-HNNXBMFYSA-N -2 3 389.452 2.084 20 0 GEADHL C[C@H](Cc1ccco1)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000055313756 602143864 /nfs/dbraw/zinc/14/38/64/602143864.db2.gz ACCABQMGOMMCHE-SSDOTTSWSA-N -2 3 378.200 2.243 20 0 GEADHL CCCC[C@H](COC)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000829284346 602157117 /nfs/dbraw/zinc/15/71/17/602157117.db2.gz BFEXTPFXLAJXNZ-MRVPVSSYSA-N -2 3 384.248 2.224 20 0 GEADHL C[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)c1ccncc1 ZINC000827508307 602163537 /nfs/dbraw/zinc/16/35/37/602163537.db2.gz YEDGNLPSFOBPFJ-QMMMGPOBSA-N -2 3 389.227 2.217 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCc2ccc(Cl)nc2)c1F ZINC000833294867 602166351 /nfs/dbraw/zinc/16/63/51/602166351.db2.gz YHQGLVFPBFNWMO-UHFFFAOYSA-N -2 3 376.768 2.232 20 0 GEADHL O=C([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2ccc3[nH]nnc3c2)c1 ZINC000536490465 602318802 /nfs/dbraw/zinc/31/88/02/602318802.db2.gz GCNHSLPXELDMDK-UHFFFAOYSA-N -2 3 397.210 2.219 20 0 GEADHL O=C([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)c1 ZINC000536490465 602318804 /nfs/dbraw/zinc/31/88/04/602318804.db2.gz GCNHSLPXELDMDK-UHFFFAOYSA-N -2 3 397.210 2.219 20 0 GEADHL CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cc(NC(=O)[O-])ccc2F)c1 ZINC000739602291 602654150 /nfs/dbraw/zinc/65/41/50/602654150.db2.gz LWCGGGRGQAGHGU-UHFFFAOYSA-N -2 3 381.385 2.418 20 0 GEADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1F)NC(=O)[O-] ZINC000738791496 602787823 /nfs/dbraw/zinc/78/78/23/602787823.db2.gz CZJBUTFJIGUEDK-SNVBAGLBSA-N -2 3 383.239 2.159 20 0 GEADHL C[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000739040852 602877859 /nfs/dbraw/zinc/87/78/59/602877859.db2.gz WVMBOLQJCQZWAY-BDAKNGLRSA-N -2 3 382.269 2.445 20 0 GEADHL COc1ccc(CNC(=O)c2ccc3[n-]c(=S)oc3c2)cc1-c1nnn[n-]1 ZINC000826201170 607628369 /nfs/dbraw/zinc/62/83/69/607628369.db2.gz CIUFNWZVLVHUSZ-UHFFFAOYSA-N -2 3 382.405 2.235 20 0 GEADHL COc1ccc(CNC(=O)c2ccc3[n-]c(=S)oc3c2)cc1-c1nn[n-]n1 ZINC000826201170 607628370 /nfs/dbraw/zinc/62/83/70/607628370.db2.gz CIUFNWZVLVHUSZ-UHFFFAOYSA-N -2 3 382.405 2.235 20 0 GEADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])c(C)o1 ZINC000828580184 603536739 /nfs/dbraw/zinc/53/67/39/603536739.db2.gz WRTUXBTWYLGADH-UHFFFAOYSA-N -2 3 393.421 2.179 20 0 GEADHL Cc1cc(N2CCC(NC(=O)c3ccc(NC(=O)[O-])cc3[O-])CC2)nc(C)n1 ZINC000830077127 603609363 /nfs/dbraw/zinc/60/93/63/603609363.db2.gz CAAKUTZFPVBMDB-UHFFFAOYSA-N -2 3 385.424 2.288 20 0 GEADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc3c2CCN3C(=O)[O-])ccc1F ZINC000828578708 603950340 /nfs/dbraw/zinc/95/03/40/603950340.db2.gz CMCCOSPWYFGNMI-UHFFFAOYSA-N -2 3 393.396 2.027 20 0 GEADHL CS(=O)(=O)[N-]c1ccccc1NC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000829691931 603973874 /nfs/dbraw/zinc/97/38/74/603973874.db2.gz UHZGWFBAEWPAHK-YHWZYXNKSA-N -2 3 381.454 2.308 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCCc2ccccn2)c(Br)o1 ZINC000833304754 604501919 /nfs/dbraw/zinc/50/19/19/604501919.db2.gz LKCFDZITORFXST-UHFFFAOYSA-N -2 3 389.227 2.046 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCOC3(CCC3)C2)c(Br)o1 ZINC000833303748 604665410 /nfs/dbraw/zinc/66/54/10/604665410.db2.gz YXTWPDYHIURSMB-MRVPVSSYSA-N -2 3 394.243 2.120 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)Cc2ccccc2C(=O)[O-])cc1OC ZINC000539677030 604782851 /nfs/dbraw/zinc/78/28/51/604782851.db2.gz NZWHZZHNXIEUNS-UHFFFAOYSA-N -2 3 392.433 2.336 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c(OC)c1C(=O)[O-] ZINC000833734423 604861199 /nfs/dbraw/zinc/86/11/99/604861199.db2.gz DISFWDSOOYTSOB-UHFFFAOYSA-N -3 3 399.352 2.040 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])c(OC)c1C(=O)[O-] ZINC000833734737 604862085 /nfs/dbraw/zinc/86/20/85/604862085.db2.gz VJHQBMKMZZASAN-UHFFFAOYSA-N -3 3 399.352 2.040 20 0 GEADHL CC(C)[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000572400212 605015188 /nfs/dbraw/zinc/01/51/88/605015188.db2.gz WDPKHJAXUIXGPE-AWEZNQCLSA-N -2 3 398.462 2.288 20 0 GEADHL C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)[C@@H](O)c1ccc(F)cc1 ZINC000833523703 605035435 /nfs/dbraw/zinc/03/54/35/605035435.db2.gz WFAUIWBQQFDGQU-ANRSDYALSA-N -2 3 389.351 2.203 20 0 GEADHL C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)[C@H](O)c1ccc(F)cc1 ZINC000833523705 605035523 /nfs/dbraw/zinc/03/55/23/605035523.db2.gz WFAUIWBQQFDGQU-GLEZIHRCSA-N -2 3 389.351 2.203 20 0 GEADHL CN(C[C@H]1CCCN1C(=O)NCc1ccc([O-])c(Br)c1)C(=O)[O-] ZINC000828205540 605190039 /nfs/dbraw/zinc/19/00/39/605190039.db2.gz DHCRMSAKIVDGFG-LLVKDONJSA-N -2 3 386.246 2.439 20 0 GEADHL CC(C)(C)OC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833445044 605210969 /nfs/dbraw/zinc/21/09/69/605210969.db2.gz VYCBYRZPAAIPDI-AWEZNQCLSA-N -2 3 395.433 2.209 20 0 GEADHL C[C@H]1C[C@H](CC[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CCO1 ZINC000833597232 605414356 /nfs/dbraw/zinc/41/43/56/605414356.db2.gz QYLYIAZDTDXVIW-DTWKUNHWSA-N -2 3 396.259 2.224 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nc(CNC(=O)[O-])n[nH]3)cc2)c(C)o1 ZINC000833900914 606012604 /nfs/dbraw/zinc/01/26/04/606012604.db2.gz GMMHUJJRYAPEFA-UHFFFAOYSA-N -2 3 391.409 2.250 20 0 GEADHL CC(C)Oc1ccc(-c2nnn[n-]2)cc1[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000820154959 606162861 /nfs/dbraw/zinc/16/28/61/606162861.db2.gz FFJUMCLQKQTAAH-UHFFFAOYSA-N -2 3 391.457 2.301 20 0 GEADHL CC(C)Oc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000820154959 606162862 /nfs/dbraw/zinc/16/28/62/606162862.db2.gz FFJUMCLQKQTAAH-UHFFFAOYSA-N -2 3 391.457 2.301 20 0 GEADHL C[C@@H](OC(=O)c1cc(F)c([O-])c(F)c1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820506815 606310283 /nfs/dbraw/zinc/31/02/83/606310283.db2.gz CGCHCPYEOCUKBY-MRVPVSSYSA-N -2 3 389.318 2.035 20 0 GEADHL C[C@@H](OC(=O)c1cc(F)c([O-])c(F)c1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820506815 606310285 /nfs/dbraw/zinc/31/02/85/606310285.db2.gz CGCHCPYEOCUKBY-MRVPVSSYSA-N -2 3 389.318 2.035 20 0 GEADHL C[C@H](OC(=O)c1cc(F)c([O-])c(F)c1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820506816 606310528 /nfs/dbraw/zinc/31/05/28/606310528.db2.gz CGCHCPYEOCUKBY-QMMMGPOBSA-N -2 3 389.318 2.035 20 0 GEADHL C[C@H](OC(=O)c1cc(F)c([O-])c(F)c1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820506816 606310529 /nfs/dbraw/zinc/31/05/29/606310529.db2.gz CGCHCPYEOCUKBY-QMMMGPOBSA-N -2 3 389.318 2.035 20 0 GEADHL O=S(=O)([N-]c1cc(-c2ccccc2)on1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823583126 606331957 /nfs/dbraw/zinc/33/19/57/606331957.db2.gz HXNUWTDFNUVEJX-UHFFFAOYSA-N -2 3 386.368 2.462 20 0 GEADHL O=S(=O)([N-]c1cc(-c2ccccc2)on1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823583126 606331959 /nfs/dbraw/zinc/33/19/59/606331959.db2.gz HXNUWTDFNUVEJX-UHFFFAOYSA-N -2 3 386.368 2.462 20 0 GEADHL CCc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)no1 ZINC000821469275 606357629 /nfs/dbraw/zinc/35/76/29/606357629.db2.gz BBOYMZSUKYRBGM-UHFFFAOYSA-N -2 3 388.331 2.237 20 0 GEADHL CCc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)no1 ZINC000821469275 606357631 /nfs/dbraw/zinc/35/76/31/606357631.db2.gz BBOYMZSUKYRBGM-UHFFFAOYSA-N -2 3 388.331 2.237 20 0 GEADHL CC(C)(C)n1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)C=Cc2ccc(F)cc2)n1 ZINC000819971515 606709024 /nfs/dbraw/zinc/70/90/24/606709024.db2.gz NLYCQUVRJNSAHD-HJWRWDBZSA-N -2 3 391.432 2.370 20 0 GEADHL CCc1oc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cc1C ZINC000821559149 606759993 /nfs/dbraw/zinc/75/99/93/606759993.db2.gz WCYUUEQHROLWFO-UHFFFAOYSA-N -2 3 395.828 2.103 20 0 GEADHL CCc1oc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1C ZINC000821559149 606759994 /nfs/dbraw/zinc/75/99/94/606759994.db2.gz WCYUUEQHROLWFO-UHFFFAOYSA-N -2 3 395.828 2.103 20 0 GEADHL O=S(=O)([N-]c1cc(F)c(F)c(F)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823582977 606866844 /nfs/dbraw/zinc/86/68/44/606866844.db2.gz FPOPYUKJUSDGEG-UHFFFAOYSA-N -2 3 391.281 2.363 20 0 GEADHL O=S(=O)([N-]c1cc(F)c(F)c(F)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823582977 606866846 /nfs/dbraw/zinc/86/68/46/606866846.db2.gz FPOPYUKJUSDGEG-UHFFFAOYSA-N -2 3 391.281 2.363 20 0 GEADHL C[C@H](CCc1ccco1)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820254780 606884200 /nfs/dbraw/zinc/88/42/00/606884200.db2.gz WZHKRMSHJHNTJV-SECBINFHSA-N -2 3 383.380 2.038 20 0 GEADHL C[C@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)o1 ZINC000820675398 606885828 /nfs/dbraw/zinc/88/58/28/606885828.db2.gz IQCKPKOXUYQYMS-KWQFWETISA-N -2 3 395.391 2.340 20 0 GEADHL O=S(=O)([N-]C[C@@H]1CCc2ccccc21)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572357 606891048 /nfs/dbraw/zinc/89/10/48/606891048.db2.gz HBWJUVAVEPXQTP-NSHDSACASA-N -2 3 391.403 2.153 20 0 GEADHL CC[C@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1nccs1 ZINC000820925917 606891657 /nfs/dbraw/zinc/89/16/57/606891657.db2.gz NFOWNSXLYJEJAA-JTQLQIEISA-N -2 3 386.409 2.031 20 0 GEADHL CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000821949929 606892031 /nfs/dbraw/zinc/89/20/31/606892031.db2.gz JWHGZASNBIZRHR-VHSXEESVSA-N -2 3 389.453 2.097 20 0 GEADHL O=S(=O)([N-]c1ncc(-c2nnn[n-]2)s1)c1cc(Cl)sc1Cl ZINC000823589404 607026908 /nfs/dbraw/zinc/02/69/08/607026908.db2.gz YIXZKKDCDYALAD-UHFFFAOYSA-N -2 3 383.267 2.492 20 0 GEADHL O=S(=O)([N-]c1ncc(-c2nnn[n-]2)s1)c1ccc(OC(F)(F)F)cc1 ZINC000823589243 607027130 /nfs/dbraw/zinc/02/71/30/607027130.db2.gz VFYLZFXNIHFUEN-UHFFFAOYSA-N -2 3 392.344 2.023 20 0 GEADHL C[C@@H]1CC[C@H](CC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820683877 607096730 /nfs/dbraw/zinc/09/67/30/607096730.db2.gz IQNLJFRZGCRREX-ZJUUUORDSA-N -2 3 383.861 2.151 20 0 GEADHL C[C@@H]1CC[C@H](CC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820683877 607096728 /nfs/dbraw/zinc/09/67/28/607096728.db2.gz IQNLJFRZGCRREX-ZJUUUORDSA-N -2 3 383.861 2.151 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1ccc(Cl)c(C)c1 ZINC000822175971 607097055 /nfs/dbraw/zinc/09/70/55/607097055.db2.gz CMEOEOXOZDBKLL-UHFFFAOYSA-N -2 3 391.840 2.256 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1ccc(Cl)c(C)c1 ZINC000822175971 607097056 /nfs/dbraw/zinc/09/70/56/607097056.db2.gz CMEOEOXOZDBKLL-UHFFFAOYSA-N -2 3 391.840 2.256 20 0 GEADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000820541551 607103910 /nfs/dbraw/zinc/10/39/10/607103910.db2.gz GSFBLNXQLGHJCF-BBRMVZONSA-N -2 3 395.419 2.356 20 0 GEADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000820541551 607103911 /nfs/dbraw/zinc/10/39/11/607103911.db2.gz GSFBLNXQLGHJCF-BBRMVZONSA-N -2 3 395.419 2.356 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000826278547 607809553 /nfs/dbraw/zinc/80/95/53/607809553.db2.gz INYOJBWRZLGWOC-UHFFFAOYSA-N -3 3 391.384 2.122 20 0 GEADHL CC(C)(CCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824153053 607836410 /nfs/dbraw/zinc/83/64/10/607836410.db2.gz ZQVFUKHDXBNGNH-UHFFFAOYSA-N -2 3 399.476 2.430 20 0 GEADHL CC(C)(CCC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824153053 607836411 /nfs/dbraw/zinc/83/64/11/607836411.db2.gz ZQVFUKHDXBNGNH-UHFFFAOYSA-N -2 3 399.476 2.430 20 0 GEADHL Cc1cccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)c1Cl ZINC000826295989 607843030 /nfs/dbraw/zinc/84/30/30/607843030.db2.gz GCHRBXZBLKRXOR-UHFFFAOYSA-N -2 3 391.840 2.088 20 0 GEADHL Cc1cccc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)c1Cl ZINC000826295989 607843031 /nfs/dbraw/zinc/84/30/31/607843031.db2.gz GCHRBXZBLKRXOR-UHFFFAOYSA-N -2 3 391.840 2.088 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)n[nH]c1C(F)(F)F ZINC000826256082 607843889 /nfs/dbraw/zinc/84/38/89/607843889.db2.gz UKKODNAVGIKKQZ-UHFFFAOYSA-N -2 3 387.347 2.026 20 0 GEADHL O=C([O-])c1ccc2c(c1)nc1n(c2=O)CCC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826461761 607884463 /nfs/dbraw/zinc/88/44/63/607884463.db2.gz GGDSQDPDXQQNLU-XFXZXTDPSA-N -2 3 386.371 2.219 20 0 GEADHL O=C([O-])c1ccc2c(c1)nc1n(c2=O)CCC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826461761 607884464 /nfs/dbraw/zinc/88/44/64/607884464.db2.gz GGDSQDPDXQQNLU-XFXZXTDPSA-N -2 3 386.371 2.219 20 0 GEADHL C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC000826232064 608142027 /nfs/dbraw/zinc/14/20/27/608142027.db2.gz JBWUTGOFRHENPE-JTQLQIEISA-N -2 3 391.840 2.129 20 0 GEADHL C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC000826232064 608142028 /nfs/dbraw/zinc/14/20/28/608142028.db2.gz JBWUTGOFRHENPE-JTQLQIEISA-N -2 3 391.840 2.129 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cnn1CC(C)C ZINC000826242727 608269665 /nfs/dbraw/zinc/26/96/65/608269665.db2.gz CESHDNBBAJWVDX-UHFFFAOYSA-N -2 3 395.876 2.482 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cnn1CC(C)C ZINC000826242727 608269668 /nfs/dbraw/zinc/26/96/68/608269668.db2.gz CESHDNBBAJWVDX-UHFFFAOYSA-N -2 3 395.876 2.482 20 0 GEADHL O=S(=O)([N-]c1ccc(F)cc1OCC(F)F)c1ccccc1-c1nnn[n-]1 ZINC000826492868 608296380 /nfs/dbraw/zinc/29/63/80/608296380.db2.gz IWSFTRHPNUAHLL-UHFFFAOYSA-N -2 3 399.354 2.451 20 0 GEADHL O=S(=O)([N-]c1ccc(F)cc1OCC(F)F)c1ccccc1-c1nn[n-]n1 ZINC000826492868 608296382 /nfs/dbraw/zinc/29/63/82/608296382.db2.gz IWSFTRHPNUAHLL-UHFFFAOYSA-N -2 3 399.354 2.451 20 0 GEADHL CCCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cn(CC)c(C)n1 ZINC000825332743 608491731 /nfs/dbraw/zinc/49/17/31/608491731.db2.gz LFBOGMLPOWPDTL-UHFFFAOYSA-N -2 3 390.473 2.014 20 0 GEADHL CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000825481020 608528010 /nfs/dbraw/zinc/52/80/10/608528010.db2.gz RGWRFAHFZODDOL-UHFFFAOYSA-N -2 3 379.833 2.148 20 0 GEADHL CC[C@H](C)n1nc([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)cc1C ZINC000825082637 608582230 /nfs/dbraw/zinc/58/22/30/608582230.db2.gz UDODTHKYNWDWRM-NSHDSACASA-N -2 3 375.458 2.452 20 0 GEADHL CC[C@H](C)n1nc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1C ZINC000825082637 608582231 /nfs/dbraw/zinc/58/22/31/608582231.db2.gz UDODTHKYNWDWRM-NSHDSACASA-N -2 3 375.458 2.452 20 0 GEADHL O=c1[n-]c(CN(Cc2ccc(-c3nnn[n-]3)cc2)Cc2cccc(F)c2)n[nH]1 ZINC000826501854 608653046 /nfs/dbraw/zinc/65/30/46/608653046.db2.gz KAYAFEHWQIIYHR-UHFFFAOYSA-N -2 3 380.387 2.032 20 0 GEADHL O=c1[n-]c(CN(Cc2ccc(-c3nn[n-]n3)cc2)Cc2cccc(F)c2)n[nH]1 ZINC000826501854 608653050 /nfs/dbraw/zinc/65/30/50/608653050.db2.gz KAYAFEHWQIIYHR-UHFFFAOYSA-N -2 3 380.387 2.032 20 0 GEADHL CCCCCC[C@](C)(NC(=O)COc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000825266396 609259007 /nfs/dbraw/zinc/25/90/07/609259007.db2.gz FSAQBYLWHUNSKU-SFHVURJKSA-N -2 3 375.429 2.175 20 0 GEADHL Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826332832 609274282 /nfs/dbraw/zinc/27/42/82/609274282.db2.gz JOOZABVCJCFZNN-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826332832 609274284 /nfs/dbraw/zinc/27/42/84/609274284.db2.gz JOOZABVCJCFZNN-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL CC1(C)CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000824795577 609403129 /nfs/dbraw/zinc/40/31/29/609403129.db2.gz AEIFGMQIVXQGHX-VIFPVBQESA-N -2 3 383.861 2.151 20 0 GEADHL CC1(C)CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000824795577 609403132 /nfs/dbraw/zinc/40/31/32/609403132.db2.gz AEIFGMQIVXQGHX-VIFPVBQESA-N -2 3 383.861 2.151 20 0 GEADHL Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826315955 609469970 /nfs/dbraw/zinc/46/99/70/609469970.db2.gz ZJVFUIGKOJGXQF-UHFFFAOYSA-N -2 3 399.411 2.301 20 0 GEADHL Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826315955 609469972 /nfs/dbraw/zinc/46/99/72/609469972.db2.gz ZJVFUIGKOJGXQF-UHFFFAOYSA-N -2 3 399.411 2.301 20 0 GEADHL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826295924 609525852 /nfs/dbraw/zinc/52/58/52/609525852.db2.gz DDEQODUVUMZWIV-UHFFFAOYSA-N -3 3 393.812 2.328 20 0 GEADHL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826295924 609525854 /nfs/dbraw/zinc/52/58/54/609525854.db2.gz DDEQODUVUMZWIV-UHFFFAOYSA-N -3 3 393.812 2.328 20 0 GEADHL CCn1nc(C)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1C ZINC000825807671 609528520 /nfs/dbraw/zinc/52/85/20/609528520.db2.gz UPBGEJHAFINYPO-UHFFFAOYSA-N -2 3 381.849 2.154 20 0 GEADHL CCn1nc(C)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1C ZINC000825807671 609528521 /nfs/dbraw/zinc/52/85/21/609528521.db2.gz UPBGEJHAFINYPO-UHFFFAOYSA-N -2 3 381.849 2.154 20 0 GEADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000518268645 650603836 /nfs/dbraw/zinc/60/38/36/650603836.db2.gz YNSVRCKLDPVBJL-UHFFFAOYSA-N -2 3 396.824 2.327 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cnn(CC(C)C)c2C(F)F)c[n-]1 ZINC000535509434 650788359 /nfs/dbraw/zinc/78/83/59/650788359.db2.gz SDUMIKPURBWOBZ-UHFFFAOYSA-N -2 3 376.385 2.392 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2O)cc1F ZINC000498020702 650845843 /nfs/dbraw/zinc/84/58/43/650845843.db2.gz RECAMWVAPLDPQV-UHFFFAOYSA-N -2 3 392.405 2.233 20 0 GEADHL Cc1nc(C)c(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)s1 ZINC000185016445 645032795 /nfs/dbraw/zinc/03/27/95/645032795.db2.gz VMOSPLJUZSLDPD-UHFFFAOYSA-N -2 3 376.406 2.257 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC000262236771 645621426 /nfs/dbraw/zinc/62/14/26/645621426.db2.gz VXDGOBGYMWEBTK-RKDXNWHRSA-N -2 3 380.344 2.126 20 0 GEADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C[C@H]2CCOC2)C(=O)[O-])c1Cl ZINC000547877372 651049776 /nfs/dbraw/zinc/04/97/76/651049776.db2.gz XIVGEEDBVNLMLA-KOLCDFICSA-N -2 3 382.265 2.460 20 0 GEADHL O=C([O-])c1cccc(CC[N-]S(=O)(=O)c2ccc(Br)cn2)c1 ZINC000547921772 651055214 /nfs/dbraw/zinc/05/52/14/651055214.db2.gz RYMUGBBNJHLZJB-UHFFFAOYSA-N -2 3 385.239 2.063 20 0 GEADHL CCC(=O)C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000281361804 646764813 /nfs/dbraw/zinc/76/48/13/646764813.db2.gz BVRCMFDKPBTBPT-JTQLQIEISA-N -2 3 398.662 2.203 20 0 GEADHL O=C([O-])[C@@H](Cc1c[nH]cn1)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000327287893 647306952 /nfs/dbraw/zinc/30/69/52/647306952.db2.gz IWJGGCMWOBWFIF-SNVBAGLBSA-N -2 3 397.762 2.056 20 0 GEADHL O=C([O-])[C@H](Cc1c[nH]cn1)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000327287892 647307028 /nfs/dbraw/zinc/30/70/28/647307028.db2.gz IWJGGCMWOBWFIF-JTQLQIEISA-N -2 3 397.762 2.056 20 0 GEADHL O=C([O-])c1cc(F)c(Br)cc1[N-]S(=O)(=O)CCOCC1CC1 ZINC000424069562 648610902 /nfs/dbraw/zinc/61/09/02/648610902.db2.gz PXESYJRKADGZAA-UHFFFAOYSA-N -2 3 396.234 2.455 20 0 GEADHL COc1ccc([N-]S(=O)(=O)c2cccc(F)c2C)cc1[N-]S(C)(=O)=O ZINC000438810417 648805561 /nfs/dbraw/zinc/80/55/61/648805561.db2.gz KDXOOTGUECYCPA-UHFFFAOYSA-N -2 3 388.442 2.315 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-]C[C@]2(CC(=O)[O-])CC[C@@H](C)C2)s1 ZINC000548227041 651069197 /nfs/dbraw/zinc/06/91/97/651069197.db2.gz ICSUWLIFOVZZNZ-MEBBXXQBSA-N -2 3 375.468 2.094 20 0 GEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cc(C)cc(C)c2)c1 ZINC000548268706 651075288 /nfs/dbraw/zinc/07/52/88/651075288.db2.gz ISWYKTJBGPHITI-CQSZACIVSA-N -2 3 383.447 2.256 20 0 GEADHL Cc1cc(C)n(C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C(=O)[O-])n1 ZINC000548537821 651079529 /nfs/dbraw/zinc/07/95/29/651079529.db2.gz GNBPPPSEDXLOQN-LBPRGKRZSA-N -2 3 392.264 2.238 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1c(F)cccc1F ZINC000548589184 651080803 /nfs/dbraw/zinc/08/08/03/651080803.db2.gz FXGOLFODWMPSDU-ZDUSSCGKSA-N -2 3 381.278 2.486 20 0 GEADHL O=C([O-])[C@H](Cc1ccco1)[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000548590333 651081282 /nfs/dbraw/zinc/08/12/82/651081282.db2.gz VAKIPMRGLDLNKC-NSHDSACASA-N -2 3 392.202 2.155 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)CCC[C@H](C)C(=O)[O-])c(F)c1 ZINC000554783497 651213197 /nfs/dbraw/zinc/21/31/97/651213197.db2.gz KZWMGTFOBBLVDV-QWRGUYRKSA-N -2 3 375.418 2.170 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)CCC[C@@H](C)C(=O)[O-])c(F)c1 ZINC000554783495 651213200 /nfs/dbraw/zinc/21/32/00/651213200.db2.gz KZWMGTFOBBLVDV-GHMZBOCLSA-N -2 3 375.418 2.170 20 0 GEADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000560013106 651303548 /nfs/dbraw/zinc/30/35/48/651303548.db2.gz ZSNOCMCNGNLFAY-UHFFFAOYSA-N -2 3 390.776 2.181 20 0 GEADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)C(F)(F)F ZINC000560416568 651308899 /nfs/dbraw/zinc/30/88/99/651308899.db2.gz GWFDLIJEZJTVAB-ZETCQYMHSA-N -2 3 380.266 2.032 20 0 GEADHL O=C([O-])c1cn(CCCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)nn1 ZINC000560889018 651471736 /nfs/dbraw/zinc/47/17/36/651471736.db2.gz OKMSOTCADDOEAX-UHFFFAOYSA-N -2 3 393.252 2.042 20 0 GEADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000604737449 651520823 /nfs/dbraw/zinc/52/08/23/651520823.db2.gz LZXJBDKDGPNQIE-UHFFFAOYSA-N -2 3 383.447 2.039 20 0 GEADHL CCc1cc(=O)n2[n-]c([N-]S(=O)(=O)c3cccc(Cl)c3Cl)nc2n1 ZINC000567645345 651632104 /nfs/dbraw/zinc/63/21/04/651632104.db2.gz JKWCIZRMSFWEFF-UHFFFAOYSA-N -2 3 388.236 2.088 20 0 GEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]CC[C@H]1CSc2ccccc2O1 ZINC000646057952 651677043 /nfs/dbraw/zinc/67/70/43/651677043.db2.gz UGIZPIIMNBSWJR-VIFPVBQESA-N -2 3 386.476 2.063 20 0 GEADHL COC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C)c1ccc(F)c(F)c1 ZINC000574200628 652007248 /nfs/dbraw/zinc/00/72/48/652007248.db2.gz WOMXQLXMYSWYOQ-LBPRGKRZSA-N -2 3 375.349 2.230 20 0 GEADHL CSc1cccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)n1 ZINC000574552097 652029292 /nfs/dbraw/zinc/02/92/92/652029292.db2.gz QXTLINOLIXEZGQ-UHFFFAOYSA-N -2 3 391.471 2.115 20 0 GEADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](O)Cc2ccccc2)sc1Cl ZINC000577179703 652168262 /nfs/dbraw/zinc/16/82/62/652168262.db2.gz ADTQUOOMTCBBBK-AAEUAGOBSA-N -2 3 389.882 2.045 20 0 GEADHL CC1(C)C[C@@H](S(=O)(=O)[N-]c2cc(Br)ccc2C(=O)[O-])CO1 ZINC000629291939 652483754 /nfs/dbraw/zinc/48/37/54/652483754.db2.gz RUWBNKLETCKMLJ-SECBINFHSA-N -2 3 378.244 2.457 20 0 GEADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1F)C1CCC1 ZINC000663254078 652486622 /nfs/dbraw/zinc/48/66/22/652486622.db2.gz DXGPPUCNSVPASK-JTQLQIEISA-N -2 3 380.235 2.367 20 0 GEADHL O=C([O-])CC[C@@H](C[N-]S(=O)(=O)c1cccc2nsnc21)C(F)(F)F ZINC000663293964 652490506 /nfs/dbraw/zinc/49/05/06/652490506.db2.gz NONJOSHDGONQBK-ZETCQYMHSA-N -2 3 383.373 2.013 20 0 GEADHL CC(C)OCCC[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000761260601 652639060 /nfs/dbraw/zinc/63/90/60/652639060.db2.gz QROQOJBUQPUDOM-UHFFFAOYSA-N -2 3 386.289 2.302 20 0 GEADHL C[C@H](Cn1cccn1)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000761263421 652639488 /nfs/dbraw/zinc/63/94/88/652639488.db2.gz NECUYAZDQFSUHM-MRVPVSSYSA-N -2 3 378.237 2.255 20 0 GEADHL CCCOC(=O)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000761288369 652641323 /nfs/dbraw/zinc/64/13/23/652641323.db2.gz BCWMXBYXULMOHD-UHFFFAOYSA-N -2 3 384.237 2.313 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(Cl)nc2)cc1F ZINC000771131962 653097443 /nfs/dbraw/zinc/09/74/43/653097443.db2.gz COYYMUTZKUFQCJ-UHFFFAOYSA-N -2 3 379.822 2.046 20 0 GEADHL CC(C)c1cc(C[N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)on1 ZINC000680653933 653166533 /nfs/dbraw/zinc/16/65/33/653166533.db2.gz CVCNBDGXZZWVEE-UHFFFAOYSA-N -2 3 388.829 2.393 20 0 GEADHL Cc1ncc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(Br)c2)s1 ZINC000681564585 653186118 /nfs/dbraw/zinc/18/61/18/653186118.db2.gz JZFNFBVFHFZNPE-LLVKDONJSA-N -2 3 391.268 2.318 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cccc(Cl)n2)c(F)c1 ZINC000775197101 653303213 /nfs/dbraw/zinc/30/32/13/653303213.db2.gz RSHUUKXLLKHWMW-UHFFFAOYSA-N -2 3 379.822 2.046 20 0 GEADHL Cn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)nc1Cl ZINC000776519907 653353366 /nfs/dbraw/zinc/35/33/66/653353366.db2.gz DQPXKZSCHNPEJY-JTQLQIEISA-N -2 3 397.762 2.197 20 0 GEADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)Cc1ccccn1 ZINC000776536138 653355134 /nfs/dbraw/zinc/35/51/34/653355134.db2.gz ZJZIMVPOWBOIOY-VIFPVBQESA-N -2 3 390.248 2.005 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@H](O)c1ccccc1 ZINC000776599854 653363320 /nfs/dbraw/zinc/36/33/20/653363320.db2.gz RBCQRFIGFXQECP-QWHCGFSZSA-N -2 3 390.244 2.459 20 0 GEADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000776636831 653367578 /nfs/dbraw/zinc/36/75/78/653367578.db2.gz JVWQIXFLFWROFJ-ZDUSSCGKSA-N -2 3 385.873 2.136 20 0 GEADHL COC(=O)c1sc(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2C(=O)[O-])c(C)c1Cl ZINC000837294326 653423763 /nfs/dbraw/zinc/42/37/63/653423763.db2.gz DKAIICWKWHRSGY-RKDXNWHRSA-N -2 3 395.886 2.276 20 0 GEADHL CO[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000840890396 653697881 /nfs/dbraw/zinc/69/78/81/653697881.db2.gz NBQNLGOHNOYZHQ-LDYMZIIASA-N -2 3 398.264 2.021 20 0 GEADHL CC(C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)OCC1CC1 ZINC000840899758 653700148 /nfs/dbraw/zinc/70/01/48/653700148.db2.gz RVZGGTHGEKIASL-UHFFFAOYSA-N -2 3 396.259 2.224 20 0 GEADHL COC(=O)c1csc(S(=O)(=O)[N-]Cc2cccc(CCC(=O)[O-])c2)c1 ZINC000863418721 653711523 /nfs/dbraw/zinc/71/15/23/653711523.db2.gz BFWUNNWHMLLRHN-UHFFFAOYSA-N -2 3 383.447 2.030 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CC[C@H](C(=O)[O-])C2)c(Cl)cc1Cl ZINC000841496820 653721479 /nfs/dbraw/zinc/72/14/79/653721479.db2.gz SNNMQGYRDHZPBQ-JGVFFNPUSA-N -2 3 396.248 2.312 20 0 GEADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](C)[C@@H](C(=O)[O-])C(C)C)c1 ZINC000819088988 653742848 /nfs/dbraw/zinc/74/28/48/653742848.db2.gz GVYXOKJOMHQIFH-YGRLFVJLSA-N -2 3 375.418 2.026 20 0 GEADHL O=C(CSc1n[n-]c(=S)s1)Nc1nc(Br)ccc1[O-] ZINC000790046922 653785857 /nfs/dbraw/zinc/78/58/57/653785857.db2.gz QSSRMGCMCKOWCP-UHFFFAOYSA-N -2 3 379.286 2.421 20 0 GEADHL O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)Nc1nc(Cl)ccc1[O-] ZINC000790048853 653786078 /nfs/dbraw/zinc/78/60/78/653786078.db2.gz ZBYMEKQTCCJPRD-UHFFFAOYSA-N -2 3 382.250 2.073 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-]C2([C@H](C)C(=O)[O-])CC2)c(Cl)cc1Cl ZINC000844822316 653820770 /nfs/dbraw/zinc/82/07/70/653820770.db2.gz SRBLQCVRPNRAGZ-SSDOTTSWSA-N -2 3 396.248 2.312 20 0 GEADHL C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)C[C@H](C)O1 ZINC000844895590 653825749 /nfs/dbraw/zinc/82/57/49/653825749.db2.gz RQEPTKZZSJHVQX-RNLVFQAGSA-N -2 3 398.300 2.443 20 0 GEADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]CCCO[C@H]2CCOC2)c1 ZINC000844897171 653826531 /nfs/dbraw/zinc/82/65/31/653826531.db2.gz AAHIMTADJHNRFR-JTQLQIEISA-N -2 3 398.264 2.166 20 0 GEADHL O=S(=O)([N-]c1ncc(-c2nnn[n-]2)s1)c1csc(-c2ccccc2)n1 ZINC000823589105 653873270 /nfs/dbraw/zinc/87/32/70/653873270.db2.gz NLROHIYCAURLMW-UHFFFAOYSA-N -2 3 391.463 2.248 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CCC3(CCCC3)O2)c(F)cc1F ZINC000846771150 653909557 /nfs/dbraw/zinc/90/95/57/653909557.db2.gz PKZRCMIOJITQSR-JTQLQIEISA-N -2 3 375.393 2.433 20 0 GEADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](C)CCCCC(=O)[O-])c1 ZINC000794763176 653919367 /nfs/dbraw/zinc/91/93/67/653919367.db2.gz XUGSRKQHOFHCTD-NSHDSACASA-N -2 3 375.418 2.314 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CC2CC2)C(=O)[O-])c(Cl)cc1Cl ZINC000794766498 653919780 /nfs/dbraw/zinc/91/97/80/653919780.db2.gz KLXFQYDSAGBLMR-NSHDSACASA-N -2 3 396.248 2.312 20 0 GEADHL C[C@H]1CSC[C@H]1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000794839478 653921885 /nfs/dbraw/zinc/92/18/85/653921885.db2.gz WNLWMAJLIAYTQQ-CAHLUQPWSA-N -2 3 386.314 2.239 20 0 GEADHL O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1CC[C@H]1CC1(Cl)Cl ZINC000852737400 654257747 /nfs/dbraw/zinc/25/77/47/654257747.db2.gz SHNOHZHUHJJVST-CIUDSAMLSA-N -2 3 377.190 2.166 20 0 GEADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]C[C@@H]2CCCS2)s1 ZINC000871918399 654277072 /nfs/dbraw/zinc/27/70/72/654277072.db2.gz QDNVWLQPIRNIQM-LURJTMIESA-N -2 3 386.314 2.383 20 0 GEADHL CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)C1 ZINC000871972441 654296866 /nfs/dbraw/zinc/29/68/66/654296866.db2.gz GOKUBCUNWCPAIJ-KNVOCYPGSA-N -2 3 384.273 2.055 20 0 GEADHL CCc1ccc(S(=O)(=O)[N-]C[C@@H](SCC(=O)[O-])C(F)(F)F)s1 ZINC000871999696 654306547 /nfs/dbraw/zinc/30/65/47/654306547.db2.gz BLANWJGBVDAJHA-MRVPVSSYSA-N -2 3 377.431 2.338 20 0 GEADHL COc1ccc(C2(C[N-]S(=O)(=O)c3csnc3C(=O)[O-])CCC2)cc1 ZINC000833730938 654308668 /nfs/dbraw/zinc/30/86/68/654308668.db2.gz LSYHKFNTMVQOMU-UHFFFAOYSA-N -2 3 382.463 2.250 20 0 GEADHL CCC[C@@H]([N-]C(=O)C(F)(F)c1ncccc1Br)c1nn[n-]n1 ZINC000906931465 654489602 /nfs/dbraw/zinc/48/96/02/654489602.db2.gz YHYMWHPVVAJNCY-MRVPVSSYSA-N -2 3 375.177 2.107 20 0 GEADHL COc1c(F)cc(S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F)cc1F ZINC000926482487 654571903 /nfs/dbraw/zinc/57/19/03/654571903.db2.gz WLLQZPGMWGFMIV-SSDOTTSWSA-N -2 3 391.314 2.295 20 0 GEADHL C[C@]1(c2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2)NC(=O)[N-]C1=O ZINC000046406164 531703649 /nfs/dbraw/zinc/70/36/49/531703649.db2.gz JNRQSFMDJHEDKH-MRXNPFEDSA-N -2 3 379.825 2.195 20 0 GEADHL Cc1nc(CC(C)C)sc1C(=O)[N-]c1nnc([N-]S(C)(=O)=O)s1 ZINC000068110487 531898325 /nfs/dbraw/zinc/89/83/25/531898325.db2.gz RFHQFRKXIGOCBY-UHFFFAOYSA-N -2 3 375.501 2.125 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)[N-]c1nnc(C(F)(F)F)s1 ZINC000128469283 532164229 /nfs/dbraw/zinc/16/42/29/532164229.db2.gz HQDKIRHBCJDSPA-UHFFFAOYSA-N -2 3 384.336 2.320 20 0 GEADHL COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C ZINC000136254037 532283668 /nfs/dbraw/zinc/28/36/68/532283668.db2.gz PBBDZJRFUYNOTH-SNVBAGLBSA-N -2 3 380.260 2.235 20 0 GEADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H](C)CC(=O)[O-] ZINC000147257871 532298981 /nfs/dbraw/zinc/29/89/81/532298981.db2.gz IGSZNOAFUZURBX-VIFPVBQESA-N -2 3 380.260 2.237 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[N-]c2ncnn2C)cc1 ZINC000151064391 532306663 /nfs/dbraw/zinc/30/66/63/532306663.db2.gz QQRHFVXFUQWOBT-UHFFFAOYSA-N -2 3 377.451 2.238 20 0 GEADHL C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)CN1C1CC1 ZINC000185106239 532336888 /nfs/dbraw/zinc/33/68/88/532336888.db2.gz DEDXPNCSOOOWRE-RKDXNWHRSA-N -2 3 376.837 2.081 20 0 GEADHL CC[N-]S(=O)(=O)c1cc(F)ccc1[N-]S(=O)(=O)Cc1ccccc1C ZINC000185767904 532338619 /nfs/dbraw/zinc/33/86/19/532338619.db2.gz AVCKDHSMRLVUFG-UHFFFAOYSA-N -2 3 386.470 2.374 20 0 GEADHL Cc1csc(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)c1Br ZINC000190894481 532358680 /nfs/dbraw/zinc/35/86/80/532358680.db2.gz XLHKZNGLARXYDY-UHFFFAOYSA-N -2 3 397.301 2.294 20 0 GEADHL CO[C@@H](CS(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1)C1CCOCC1 ZINC000647125266 532368333 /nfs/dbraw/zinc/36/83/33/532368333.db2.gz JFALXGINODFCRW-AWEZNQCLSA-N -2 3 377.846 2.222 20 0 GEADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H]1CCOc2ccc(F)cc21 ZINC000516461442 532385526 /nfs/dbraw/zinc/38/55/26/532385526.db2.gz OQKDKPNRIIQNPL-JTQLQIEISA-N -2 3 387.410 2.396 20 0 GEADHL CC(C)=CCSC[C@@H]([N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C)C(=O)[O-] ZINC000591325723 532407796 /nfs/dbraw/zinc/40/77/96/532407796.db2.gz QFKWGLLTYYYKIC-QWHCGFSZSA-N -2 3 387.527 2.211 20 0 GEADHL CCc1cc(=O)n2[n-]c([N-]S(=O)(=O)c3ccc(Cl)c(Cl)c3)nc2n1 ZINC000517181920 532408342 /nfs/dbraw/zinc/40/83/42/532408342.db2.gz QKWGSCAGFPUDLJ-UHFFFAOYSA-N -2 3 388.236 2.088 20 0 GEADHL CC[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OCCCOC)C(=O)[O-] ZINC000681569938 532432213 /nfs/dbraw/zinc/43/22/13/532432213.db2.gz BWFRWKOPQXOKLD-LLVKDONJSA-N -2 3 379.862 2.144 20 0 GEADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OCCCOC)C(=O)[O-] ZINC000681569945 532432466 /nfs/dbraw/zinc/43/24/66/532432466.db2.gz BWFRWKOPQXOKLD-NSHDSACASA-N -2 3 379.862 2.144 20 0 GEADHL C[C@H]([N-]S(=O)(=O)c1ncccc1C(F)(F)F)c1ncc(C(=O)[O-])s1 ZINC000650424681 532445781 /nfs/dbraw/zinc/44/57/81/532445781.db2.gz JKIRXERIGUFGDC-LURJTMIESA-N -2 3 381.357 2.295 20 0 GEADHL CC[C@H]([N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1OC)c1nccs1 ZINC000562178456 532459413 /nfs/dbraw/zinc/45/94/13/532459413.db2.gz WYCHBNVNKDKXHQ-VIFPVBQESA-N -2 3 386.451 2.288 20 0 GEADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1OC)c1nccs1 ZINC000562178455 532459701 /nfs/dbraw/zinc/45/97/01/532459701.db2.gz WYCHBNVNKDKXHQ-SECBINFHSA-N -2 3 386.451 2.288 20 0 GEADHL Cc1sc(N2CCC([N-]S(=O)(=O)c3cccs3)CC2)nc1C(=O)[O-] ZINC000519546164 532468115 /nfs/dbraw/zinc/46/81/15/532468115.db2.gz RETITURDEVEMPC-UHFFFAOYSA-N -2 3 387.508 2.159 20 0 GEADHL Cc1ncc(S(=O)(=O)[N-][C@H](CC(=O)[O-])Cc2cc(F)c(F)cc2F)s1 ZINC000562782322 532482889 /nfs/dbraw/zinc/48/28/89/532482889.db2.gz VNZOCIIEVYZTQU-VIFPVBQESA-N -2 3 394.396 2.233 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)[C@@H]1CCCO1 ZINC000630423521 532518864 /nfs/dbraw/zinc/51/88/64/532518864.db2.gz QZDMXOSIUDUFOS-ONGXEEELSA-N -2 3 398.662 2.013 20 0 GEADHL CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-][C@H](C)CCC[C@@H](C)C(=O)[O-] ZINC000563809397 532510165 /nfs/dbraw/zinc/51/01/65/532510165.db2.gz NBSTYNKAXAIWAG-GHMZBOCLSA-N -2 3 375.443 2.186 20 0 GEADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCc2cnn(-c3ccccc3)c2)c1 ZINC000237963638 532513572 /nfs/dbraw/zinc/51/35/72/532513572.db2.gz KDYPWOXAFNWOIF-UHFFFAOYSA-N -2 3 377.447 2.153 20 0 GEADHL O=C([O-])C1(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCCC1 ZINC000237965269 532515303 /nfs/dbraw/zinc/51/53/03/532515303.db2.gz FUPMPHJDNDCYBJ-UHFFFAOYSA-N -2 3 379.210 2.418 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)[C@@H]1CCCO1 ZINC000630421340 532518482 /nfs/dbraw/zinc/51/84/82/532518482.db2.gz DSZSMVJNWQVOPK-ONGXEEELSA-N -2 3 398.662 2.013 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)[C@@H]1CCCO1 ZINC000630423018 532518708 /nfs/dbraw/zinc/51/87/08/532518708.db2.gz PHHFBLVCWCFXRC-ONGXEEELSA-N -2 3 387.763 2.269 20 0 GEADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCO[C@@H](C(C)C)C1 ZINC000564919466 532536630 /nfs/dbraw/zinc/53/66/30/532536630.db2.gz UOSDHIADBKSOKR-WCQYABFASA-N -2 3 375.418 2.014 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccn2)cc1F ZINC000433393689 532567796 /nfs/dbraw/zinc/56/77/96/532567796.db2.gz GPKFDJXLAZSJKZ-UHFFFAOYSA-N -2 3 379.822 2.046 20 0 GEADHL COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)[C@@H](C)C(=O)[O-] ZINC000654786145 532568497 /nfs/dbraw/zinc/56/84/97/532568497.db2.gz LOUQQYLIKDDKCB-AXFHLTTASA-N -2 3 379.862 2.141 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)cc1Cl ZINC000262370767 532589701 /nfs/dbraw/zinc/58/97/01/532589701.db2.gz FJSCHWWOUXDDEC-UHFFFAOYSA-N -2 3 392.836 2.359 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C[C@H]3NC(=O)[N-]C3=O)cc2)sc1Cl ZINC000473478780 532592355 /nfs/dbraw/zinc/59/23/55/532592355.db2.gz HMXPDRXLRBERJF-LLVKDONJSA-N -2 3 399.881 2.261 20 0 GEADHL O=C([O-])CCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000262460940 532595079 /nfs/dbraw/zinc/59/50/79/532595079.db2.gz KCIHILGHVOROBC-ZDUSSCGKSA-N -2 3 391.873 2.431 20 0 GEADHL COCc1ccccc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000433591810 532573709 /nfs/dbraw/zinc/57/37/09/532573709.db2.gz DMLUWHIFAOIGGD-UHFFFAOYSA-N -2 3 388.442 2.144 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)cc1F ZINC000433608589 532574549 /nfs/dbraw/zinc/57/45/49/532574549.db2.gz KYPMHQDZFBPICJ-UHFFFAOYSA-N -2 3 394.833 2.357 20 0 GEADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000566179891 532598651 /nfs/dbraw/zinc/59/86/51/532598651.db2.gz QKAGBNOLDQYWAR-IUODEOHRSA-N -2 3 382.463 2.288 20 0 GEADHL CO[C@H](C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-])C1CC1 ZINC000656168321 532606640 /nfs/dbraw/zinc/60/66/40/532606640.db2.gz QCQFVKOZOVZMCH-DTWKUNHWSA-N -2 3 387.401 2.314 20 0 GEADHL CO[C@@H](CS(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1[O-])[C@H]1CCOC1 ZINC000656629390 532628241 /nfs/dbraw/zinc/62/82/41/532628241.db2.gz UVCFMMVYUWSCIL-ZANVPECISA-N -2 3 385.360 2.084 20 0 GEADHL COc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2c(F)cccc2F)c(F)c1 ZINC000567008243 532635793 /nfs/dbraw/zinc/63/57/93/532635793.db2.gz MVRQEUUOBHMELE-CQSZACIVSA-N -2 3 375.324 2.217 20 0 GEADHL O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccc(F)cc1[O-] ZINC000436676416 532640887 /nfs/dbraw/zinc/64/08/87/532640887.db2.gz ZYXMQBIMOQKZTI-UHFFFAOYSA-N -2 3 390.795 2.032 20 0 GEADHL O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1c([O-])cccc1F ZINC000436671189 532641404 /nfs/dbraw/zinc/64/14/04/532641404.db2.gz IMCKZISHUQVGPR-UHFFFAOYSA-N -2 3 390.795 2.032 20 0 GEADHL CCn1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)nc1C ZINC000567108567 532641686 /nfs/dbraw/zinc/64/16/86/532641686.db2.gz UWJUMRBFRKTPIO-ZDUSSCGKSA-N -2 3 389.836 2.498 20 0 GEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]CCCCc1ccc(F)c(F)c1 ZINC000567798893 532664935 /nfs/dbraw/zinc/66/49/35/532664935.db2.gz WSPFWROLZOLMQJ-UHFFFAOYSA-N -2 3 376.406 2.421 20 0 GEADHL CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)c(F)c1)C(=O)[O-] ZINC000567320389 532648901 /nfs/dbraw/zinc/64/89/01/532648901.db2.gz GWLSCNRACWLOJL-YGRLFVJLSA-N -2 3 375.418 2.170 20 0 GEADHL Cc1nc([C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)n[nH]1 ZINC000285343935 532673230 /nfs/dbraw/zinc/67/32/30/532673230.db2.gz GXSBNBAXJRXCRV-RXMQYKEDSA-N -2 3 379.225 2.158 20 0 GEADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2c(F)cccc2CO)cc1Cl ZINC000534971095 532676113 /nfs/dbraw/zinc/67/61/13/532676113.db2.gz JWXYSBBBXKJQBU-UHFFFAOYSA-N -2 3 389.788 2.236 20 0 GEADHL Cc1noc(C)c1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000568518996 532680376 /nfs/dbraw/zinc/68/03/76/532680376.db2.gz WQSXBJHXCIVEPO-UHFFFAOYSA-N -2 3 378.328 2.487 20 0 GEADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000484556333 532681553 /nfs/dbraw/zinc/68/15/53/532681553.db2.gz JXYKVOPUHMBECR-UHFFFAOYSA-N -2 3 390.776 2.181 20 0 GEADHL CC(C)CSCCC[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000535898497 532688769 /nfs/dbraw/zinc/68/87/69/532688769.db2.gz SQOWGVAFPOJHPD-UHFFFAOYSA-N -2 3 398.547 2.255 20 0 GEADHL COc1cc(F)c(S(=O)(=O)[N-][C@@H](C)CCC[C@H](C)C(=O)[O-])cc1OC ZINC000392618681 532708763 /nfs/dbraw/zinc/70/87/63/532708763.db2.gz MFUMIIGWXATBIM-QWRGUYRKSA-N -2 3 377.434 2.401 20 0 GEADHL CC1(C)CCC([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1 ZINC000408238894 532714080 /nfs/dbraw/zinc/71/40/80/532714080.db2.gz YXRWDSQHSGELNW-UHFFFAOYSA-N -2 3 378.491 2.444 20 0 GEADHL CSc1ccncc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000610914533 532720121 /nfs/dbraw/zinc/72/01/21/532720121.db2.gz RDYIEXRWORULMY-UHFFFAOYSA-N -2 3 391.471 2.115 20 0 GEADHL CCOC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000577117767 532734958 /nfs/dbraw/zinc/73/49/58/532734958.db2.gz RHHUIUXAVVXFJO-SECBINFHSA-N -2 3 375.752 2.127 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000540664780 532741075 /nfs/dbraw/zinc/74/10/75/532741075.db2.gz QCYMMJAPZWIHBT-CQSZACIVSA-N -2 3 382.825 2.267 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@H](C)CSC)c(F)c1 ZINC000451220844 532761803 /nfs/dbraw/zinc/76/18/03/532761803.db2.gz WSRVCUKNFWFWLL-SNVBAGLBSA-N -2 3 384.520 2.007 20 0 GEADHL Cc1nc(CC(C)C)c(C(=O)[N-]c2nnc([N-]S(C)(=O)=O)s2)s1 ZINC000267965184 532752619 /nfs/dbraw/zinc/75/26/19/532752619.db2.gz NSJRIRLKRSIJQB-UHFFFAOYSA-N -2 3 375.501 2.125 20 0 GEADHL O=C([O-])c1csc(C[N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)n1 ZINC000584523301 532768569 /nfs/dbraw/zinc/76/85/69/532768569.db2.gz CGKWLNFJMRTZFN-UHFFFAOYSA-N -2 3 382.341 2.060 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2COc3ccccc32)c(Br)o1 ZINC000315457908 532781966 /nfs/dbraw/zinc/78/19/66/532781966.db2.gz SNHUNLXMPNJTSI-QMMMGPOBSA-N -2 3 388.195 2.152 20 0 GEADHL O=C([O-])[C@H](Cc1cnc[nH]1)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000320188557 532786480 /nfs/dbraw/zinc/78/64/80/532786480.db2.gz PQRPGTRMFZQWSQ-JTQLQIEISA-N -2 3 398.655 2.344 20 0 GEADHL N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CC(=O)c2cccs2)C(=O)[O-])c1 ZINC000547571113 532786965 /nfs/dbraw/zinc/78/69/65/532786965.db2.gz SYJFINSQTDFLPW-LLVKDONJSA-N -2 3 398.849 2.278 20 0 GEADHL Cc1nc(C[N-]S(=O)(=O)c2sccc2Br)ccc1C(=O)[O-] ZINC000547566655 532787035 /nfs/dbraw/zinc/78/70/35/532787035.db2.gz YSJOMWZTCOAXHY-UHFFFAOYSA-N -2 3 391.268 2.391 20 0 GEADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)CC(=O)[O-] ZINC000547613476 532787519 /nfs/dbraw/zinc/78/75/19/532787519.db2.gz CPXKLLZKPYJKRX-SECBINFHSA-N -2 3 380.825 2.217 20 0 GEADHL Cn1cc([C@H]([N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)C(=O)[O-])cn1 ZINC000322744831 532788685 /nfs/dbraw/zinc/78/86/85/532788685.db2.gz VZWHKEIQEOENJA-JTQLQIEISA-N -2 3 398.655 2.485 20 0 GEADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2OC)c1 ZINC000548209054 532788963 /nfs/dbraw/zinc/78/89/63/532788963.db2.gz YMZAMTGPPRJYPF-OAHLLOKOSA-N -2 3 385.825 2.461 20 0 GEADHL CC(C)(C)OC(=O)C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000325507897 532789112 /nfs/dbraw/zinc/78/91/12/532789112.db2.gz BFPXBUSVOCRNTD-VIFPVBQESA-N -2 3 398.264 2.457 20 0 GEADHL COc1cc(Br)c(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CC2)cc1Cl ZINC000548221445 532789542 /nfs/dbraw/zinc/78/95/42/532789542.db2.gz XAPHAHJNURCDKO-NSHDSACASA-N -2 3 398.662 2.253 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCC2)c(Cl)c1 ZINC000548588155 532792543 /nfs/dbraw/zinc/79/25/43/532792543.db2.gz IYHIDISKKYQBST-UHFFFAOYSA-N -2 3 375.830 2.050 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2nocc2C)cc1F ZINC000271962342 532812730 /nfs/dbraw/zinc/81/27/30/532812730.db2.gz ZJZWREDRIIQOGZ-UHFFFAOYSA-N -2 3 377.419 2.075 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)ccc1OCCN(C)C ZINC000414389742 532823832 /nfs/dbraw/zinc/82/38/32/532823832.db2.gz SNOVEIAFPINQRW-UHFFFAOYSA-N -2 3 384.479 2.496 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CSCCS2)cc(F)c1Cl ZINC000273697472 532831611 /nfs/dbraw/zinc/83/16/11/532831611.db2.gz NAMUVSNRVLFQNY-SSDOTTSWSA-N -2 3 385.891 2.304 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCCOC[C@H]2CCCO2)cc(F)c1Cl ZINC000273807381 532834767 /nfs/dbraw/zinc/83/47/67/532834767.db2.gz YCNOLOPFALXSKC-SNVBAGLBSA-N -2 3 395.836 2.041 20 0 GEADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]C[C@H]2CCCCO2)s1 ZINC000273758739 532833734 /nfs/dbraw/zinc/83/37/34/532833734.db2.gz WCVBVCRETDWRKP-SSDOTTSWSA-N -2 3 384.273 2.056 20 0 GEADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])CC(C)(C)C ZINC000274940085 532860134 /nfs/dbraw/zinc/86/01/34/532860134.db2.gz DZZCKXNTDHNCMX-JTQLQIEISA-N -2 3 375.418 2.170 20 0 GEADHL COc1ccc(Br)c(S(=O)(=O)[N-][C@@H](C)CCCC(=O)[O-])c1 ZINC000274977089 532860825 /nfs/dbraw/zinc/86/08/25/532860825.db2.gz LBVWQYHRZAWCRR-VIFPVBQESA-N -2 3 380.260 2.379 20 0 GEADHL O=C([O-])CCCN1CCC([N-]S(=O)(=O)c2cccc(Cl)c2F)CC1 ZINC000275005727 532861184 /nfs/dbraw/zinc/86/11/84/532861184.db2.gz PAKAQXLMUIWBSA-UHFFFAOYSA-N -2 3 378.853 2.087 20 0 GEADHL O=C([O-])[C@@H](CSCCOc1ccccc1)[N-]S(=O)(=O)c1cccs1 ZINC000275026885 532861500 /nfs/dbraw/zinc/86/15/00/532861500.db2.gz PNDVFDXJYZOHOJ-CYBMUJFWSA-N -2 3 387.504 2.292 20 0 GEADHL CC(C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1)C(=O)[O-] ZINC000275034461 532861755 /nfs/dbraw/zinc/86/17/55/532861755.db2.gz CXBAJBHYXHCBQT-NSHDSACASA-N -2 3 391.873 2.144 20 0 GEADHL O=C([O-])[C@H](CN1CCCCC1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000275058709 532862619 /nfs/dbraw/zinc/86/26/19/532862619.db2.gz YODKFHSKKMZVAG-LBPRGKRZSA-N -2 3 381.281 2.211 20 0 GEADHL C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1)CC(=O)[O-] ZINC000275134820 532866000 /nfs/dbraw/zinc/86/60/00/532866000.db2.gz JBSMNAAOZFCKCQ-NEPJUHHUSA-N -2 3 391.873 2.144 20 0 GEADHL COC(=O)c1sccc1S(=O)(=O)[N-][C@H](CCC(=O)[O-])c1ccccc1 ZINC000275214797 532868703 /nfs/dbraw/zinc/86/87/03/532868703.db2.gz HYNLLFSKMNLBEJ-GFCCVEGCSA-N -2 3 383.447 2.419 20 0 GEADHL C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1)C(=O)[O-] ZINC000275287987 532871407 /nfs/dbraw/zinc/87/14/07/532871407.db2.gz SXIMZAAYEFOZJO-AAEUAGOBSA-N -2 3 391.873 2.287 20 0 GEADHL CCO[C@@H]1C[C@]([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)(C(=O)[O-])C1(C)C ZINC000275409015 532875870 /nfs/dbraw/zinc/87/58/70/532875870.db2.gz AEHGHPBABJHDEE-ABAIWWIYSA-N -2 3 381.372 2.041 20 0 GEADHL O=C(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)[N-]OCCC(F)(F)F ZINC000290746997 532888337 /nfs/dbraw/zinc/88/83/37/532888337.db2.gz NIHDSYOXZMDICV-UHFFFAOYSA-N -2 3 395.186 2.272 20 0 GEADHL COCn1nc(C)c(S(=O)(=O)[N-]c2cc([O-])cc(Br)c2)c1C ZINC000424059756 532895113 /nfs/dbraw/zinc/89/51/13/532895113.db2.gz BTKGFMQOLBAZRZ-UHFFFAOYSA-N -2 3 390.259 2.373 20 0 GEADHL CC1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3F)cc2O1 ZINC000736214358 598842830 /nfs/dbraw/zinc/84/28/30/598842830.db2.gz NWKYNOJIROTJSA-UHFFFAOYSA-N -2 3 391.384 2.314 20 0 GEADHL CC1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3F)cc2O1 ZINC000736214358 598842831 /nfs/dbraw/zinc/84/28/31/598842831.db2.gz NWKYNOJIROTJSA-UHFFFAOYSA-N -2 3 391.384 2.314 20 0 GEADHL Cc1ccccc1-n1nccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737416150 598858446 /nfs/dbraw/zinc/85/84/46/598858446.db2.gz XKIOJOCTPWUXKH-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL Cc1ccccc1-n1nccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737416150 598858448 /nfs/dbraw/zinc/85/84/48/598858448.db2.gz XKIOJOCTPWUXKH-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL O=S(=O)([N-]c1ccc2n[nH]cc2c1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000738342156 598867496 /nfs/dbraw/zinc/86/74/96/598867496.db2.gz MZSNMEZUAWPQIF-UHFFFAOYSA-N -2 3 375.801 2.197 20 0 GEADHL O=S(=O)([N-]c1ccc2n[nH]cc2c1)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000738342156 598867497 /nfs/dbraw/zinc/86/74/97/598867497.db2.gz MZSNMEZUAWPQIF-UHFFFAOYSA-N -2 3 375.801 2.197 20 0 GEADHL CSc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cn1 ZINC000737190540 598891147 /nfs/dbraw/zinc/89/11/47/598891147.db2.gz NDLDTAZHOVMROJ-UHFFFAOYSA-N -2 3 382.858 2.438 20 0 GEADHL CSc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cn1 ZINC000737190540 598891148 /nfs/dbraw/zinc/89/11/48/598891148.db2.gz NDLDTAZHOVMROJ-UHFFFAOYSA-N -2 3 382.858 2.438 20 0 GEADHL CC(C)[C@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735712121 598909367 /nfs/dbraw/zinc/90/93/67/598909367.db2.gz ROLJEIUDHQPBKA-KRWDZBQOSA-N -2 3 399.476 2.187 20 0 GEADHL CC(C)[C@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735712121 598909369 /nfs/dbraw/zinc/90/93/69/598909369.db2.gz ROLJEIUDHQPBKA-KRWDZBQOSA-N -2 3 399.476 2.187 20 0 GEADHL O=S(=O)([N-]c1ccnn1Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738338289 598910653 /nfs/dbraw/zinc/91/06/53/598910653.db2.gz FVHNFFDLFWUVHM-UHFFFAOYSA-N -2 3 399.411 2.051 20 0 GEADHL O=S(=O)([N-]c1ccnn1Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738338289 598910654 /nfs/dbraw/zinc/91/06/54/598910654.db2.gz FVHNFFDLFWUVHM-UHFFFAOYSA-N -2 3 399.411 2.051 20 0 GEADHL CC(C)c1nc(C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)ncc1C(=O)[O-] ZINC000735941429 598910865 /nfs/dbraw/zinc/91/08/65/598910865.db2.gz YGSZWZDMGBLRAG-PLNGDYQASA-N -2 3 376.380 2.296 20 0 GEADHL CC(C)c1nc(C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)ncc1C(=O)[O-] ZINC000735941429 598910866 /nfs/dbraw/zinc/91/08/66/598910866.db2.gz YGSZWZDMGBLRAG-PLNGDYQASA-N -2 3 376.380 2.296 20 0 GEADHL CC(C)c1nc(C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)ncc1C(=O)[O-] ZINC000735941430 598911216 /nfs/dbraw/zinc/91/12/16/598911216.db2.gz YGSZWZDMGBLRAG-SNAWJCMRSA-N -2 3 376.380 2.296 20 0 GEADHL CC(C)c1nc(C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)ncc1C(=O)[O-] ZINC000735941430 598911217 /nfs/dbraw/zinc/91/12/17/598911217.db2.gz YGSZWZDMGBLRAG-SNAWJCMRSA-N -2 3 376.380 2.296 20 0 GEADHL C[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735987315 598923972 /nfs/dbraw/zinc/92/39/72/598923972.db2.gz YMUZHUCJVSJHOE-GFCCVEGCSA-N -2 3 377.470 2.029 20 0 GEADHL C[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735987315 598923974 /nfs/dbraw/zinc/92/39/74/598923974.db2.gz YMUZHUCJVSJHOE-GFCCVEGCSA-N -2 3 377.470 2.029 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1nc2c(s1)CCCC2 ZINC000737300674 598968697 /nfs/dbraw/zinc/96/86/97/598968697.db2.gz DQZYFTMAOWSSBA-UHFFFAOYSA-N -2 3 376.467 2.311 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1nc2c(s1)CCCC2 ZINC000737300674 598968698 /nfs/dbraw/zinc/96/86/98/598968698.db2.gz DQZYFTMAOWSSBA-UHFFFAOYSA-N -2 3 376.467 2.311 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C[C@H](C)c1ccccc1 ZINC000737300060 598976729 /nfs/dbraw/zinc/97/67/29/598976729.db2.gz VPUBVOQRNGZIFU-ZDUSSCGKSA-N -2 3 385.449 2.174 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C[C@H](C)c1ccccc1 ZINC000737300060 598976730 /nfs/dbraw/zinc/97/67/30/598976730.db2.gz VPUBVOQRNGZIFU-ZDUSSCGKSA-N -2 3 385.449 2.174 20 0 GEADHL Cc1ccccc1-n1nccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000737414920 599030228 /nfs/dbraw/zinc/03/02/28/599030228.db2.gz HDFHGBABOYHGEQ-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL Cc1ccccc1-n1nccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000737414920 599030230 /nfs/dbraw/zinc/03/02/30/599030230.db2.gz HDFHGBABOYHGEQ-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL CCCn1ccc2ccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)cc21 ZINC000736502424 599235783 /nfs/dbraw/zinc/23/57/83/599235783.db2.gz MRJAXFJTHRJWGX-UHFFFAOYSA-N -2 3 383.437 2.427 20 0 GEADHL CCCn1ccc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)cc21 ZINC000736502424 599235784 /nfs/dbraw/zinc/23/57/84/599235784.db2.gz MRJAXFJTHRJWGX-UHFFFAOYSA-N -2 3 383.437 2.427 20 0 GEADHL C[C@@H](C(=O)[O-])N(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000675989615 597465943 /nfs/dbraw/zinc/46/59/43/597465943.db2.gz KNUUFPHNYYIYQU-NSHDSACASA-N -2 3 380.397 2.172 20 0 GEADHL O=S(=O)([N-]c1ccc(Br)cc1O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738346310 599314315 /nfs/dbraw/zinc/31/43/15/599314315.db2.gz YVPKKAQPAVVKHR-UHFFFAOYSA-N -2 3 396.226 2.136 20 0 GEADHL O=C(c1ccc([O-])c(Cl)c1)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000738269787 598287316 /nfs/dbraw/zinc/28/73/16/598287316.db2.gz XYJCPYLKAYKCOF-UHFFFAOYSA-N -2 3 384.827 2.188 20 0 GEADHL O=C(c1ccc([O-])c(Cl)c1)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000738269787 598287318 /nfs/dbraw/zinc/28/73/18/598287318.db2.gz XYJCPYLKAYKCOF-UHFFFAOYSA-N -2 3 384.827 2.188 20 0 GEADHL C[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000735976241 598306713 /nfs/dbraw/zinc/30/67/13/598306713.db2.gz PJRITMOCMYLBNR-CYBMUJFWSA-N -2 3 391.497 2.419 20 0 GEADHL C[C@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000735976241 598306714 /nfs/dbraw/zinc/30/67/14/598306714.db2.gz PJRITMOCMYLBNR-CYBMUJFWSA-N -2 3 391.497 2.419 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccc(C(F)F)cc1 ZINC000738140928 598364284 /nfs/dbraw/zinc/36/42/84/598364284.db2.gz ZUNPCTCUCNWHEA-UHFFFAOYSA-N -2 3 393.375 2.064 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccc(C(F)F)cc1 ZINC000738140928 598364286 /nfs/dbraw/zinc/36/42/86/598364286.db2.gz ZUNPCTCUCNWHEA-UHFFFAOYSA-N -2 3 393.375 2.064 20 0 GEADHL C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1F ZINC000735977731 598372238 /nfs/dbraw/zinc/37/22/38/598372238.db2.gz VIQBLNBOQLWFPD-LLVKDONJSA-N -2 3 389.412 2.005 20 0 GEADHL C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1F ZINC000735977731 598372240 /nfs/dbraw/zinc/37/22/40/598372240.db2.gz VIQBLNBOQLWFPD-LLVKDONJSA-N -2 3 389.412 2.005 20 0 GEADHL O=S(=O)([N-]c1ccc(OC2CCCC2)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738341091 598382509 /nfs/dbraw/zinc/38/25/09/598382509.db2.gz FJARCGQDSIZEIO-UHFFFAOYSA-N -2 3 386.437 2.384 20 0 GEADHL CC[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C(C)C ZINC000736335292 598414540 /nfs/dbraw/zinc/41/45/40/598414540.db2.gz ZREBVWDJAFUPFM-JTQLQIEISA-N -2 3 385.877 2.397 20 0 GEADHL CC[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C(C)C ZINC000736335292 598414541 /nfs/dbraw/zinc/41/45/41/598414541.db2.gz ZREBVWDJAFUPFM-JTQLQIEISA-N -2 3 385.877 2.397 20 0 GEADHL O=C(C=Cc1ccccc1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737803032 598415037 /nfs/dbraw/zinc/41/50/37/598415037.db2.gz ZWGBYPKYIOXFRY-RMKNXTFCSA-N -2 3 389.824 2.038 20 0 GEADHL O=C(C=Cc1ccccc1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737803032 598415039 /nfs/dbraw/zinc/41/50/39/598415039.db2.gz ZWGBYPKYIOXFRY-RMKNXTFCSA-N -2 3 389.824 2.038 20 0 GEADHL O=C(C=Cc1cccs1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737804230 598415503 /nfs/dbraw/zinc/41/55/03/598415503.db2.gz AEKLPCIIAWYPMI-UTCJRWHESA-N -2 3 395.853 2.100 20 0 GEADHL O=C(C=Cc1cccs1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737804230 598415504 /nfs/dbraw/zinc/41/55/04/598415504.db2.gz AEKLPCIIAWYPMI-UTCJRWHESA-N -2 3 395.853 2.100 20 0 GEADHL CCc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736690914 598536402 /nfs/dbraw/zinc/53/64/02/598536402.db2.gz WUIUKNBKFGYOSW-LBPRGKRZSA-N -2 3 385.449 2.038 20 0 GEADHL CCc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736690914 598536404 /nfs/dbraw/zinc/53/64/04/598536404.db2.gz WUIUKNBKFGYOSW-LBPRGKRZSA-N -2 3 385.449 2.038 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)ccc1Br ZINC000737284014 598638107 /nfs/dbraw/zinc/63/81/07/598638107.db2.gz WXAIZADWMXIRJO-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000737063361 598663330 /nfs/dbraw/zinc/66/33/30/598663330.db2.gz XKJQZVBJPRWOSV-UHFFFAOYSA-N -2 3 383.792 2.469 20 0 GEADHL CC[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736334553 598784973 /nfs/dbraw/zinc/78/49/73/598784973.db2.gz VCBUDVQRQAQEMZ-HNNXBMFYSA-N -2 3 399.476 2.397 20 0 GEADHL CC[C@@H](CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736334553 598784975 /nfs/dbraw/zinc/78/49/75/598784975.db2.gz VCBUDVQRQAQEMZ-HNNXBMFYSA-N -2 3 399.476 2.397 20 0 GEADHL O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823387377 599301409 /nfs/dbraw/zinc/30/14/09/599301409.db2.gz IYOVFTBZLJBTLI-ZJUUUORDSA-N -2 3 381.314 2.491 20 0 GEADHL O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823387377 599301412 /nfs/dbraw/zinc/30/14/12/599301412.db2.gz IYOVFTBZLJBTLI-ZJUUUORDSA-N -2 3 381.314 2.491 20 0 GEADHL O=S(=O)([N-]c1ccc(Br)cc1O)c1ccc(-c2nnn[n-]2)cc1 ZINC000738346310 599314313 /nfs/dbraw/zinc/31/43/13/599314313.db2.gz YVPKKAQPAVVKHR-UHFFFAOYSA-N -2 3 396.226 2.136 20 0 GEADHL Cc1ccc(-n2[n-]c(C(=O)N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)cc2=O)cc1 ZINC000737304037 599319293 /nfs/dbraw/zinc/31/92/93/599319293.db2.gz ROMFRQQEMWAWOF-ZDUSSCGKSA-N -2 3 389.419 2.145 20 0 GEADHL Cc1ccc(-n2[n-]c(C(=O)N[C@@H](C)c3ccc(-c4nn[n-]n4)cc3)cc2=O)cc1 ZINC000737304037 599319295 /nfs/dbraw/zinc/31/92/95/599319295.db2.gz ROMFRQQEMWAWOF-ZDUSSCGKSA-N -2 3 389.419 2.145 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)cnn1-c1ccccc1F ZINC000822129573 607376418 /nfs/dbraw/zinc/37/64/18/607376418.db2.gz LYBDHOKGVQSPRN-UHFFFAOYSA-N -2 3 399.411 2.301 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cnn1-c1ccccc1F ZINC000822129573 607376420 /nfs/dbraw/zinc/37/64/20/607376420.db2.gz LYBDHOKGVQSPRN-UHFFFAOYSA-N -2 3 399.411 2.301 20 0 GEADHL O=C(CCc1cc(Cl)cs1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737850997 599516822 /nfs/dbraw/zinc/51/68/22/599516822.db2.gz CVHVNQUJXSRCQE-UHFFFAOYSA-N -2 3 397.869 2.019 20 0 GEADHL O=C(CCc1cc(Cl)cs1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737850997 599516823 /nfs/dbraw/zinc/51/68/23/599516823.db2.gz CVHVNQUJXSRCQE-UHFFFAOYSA-N -2 3 397.869 2.019 20 0 GEADHL C[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820396641 599553179 /nfs/dbraw/zinc/55/31/79/599553179.db2.gz HSGNVHFLIWISSC-SECBINFHSA-N -2 3 393.432 2.295 20 0 GEADHL O=C(CC/C=C\c1ccccc1)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737825708 599618426 /nfs/dbraw/zinc/61/84/26/599618426.db2.gz OIKLCTDNTZQPQK-WTKPLQERSA-N -2 3 397.460 2.306 20 0 GEADHL O=C(CC/C=C\c1ccccc1)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737825708 599618428 /nfs/dbraw/zinc/61/84/28/599618428.db2.gz OIKLCTDNTZQPQK-WTKPLQERSA-N -2 3 397.460 2.306 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)C1CCCCCCC1 ZINC000823285657 599621837 /nfs/dbraw/zinc/62/18/37/599621837.db2.gz YLOWNYOUVSAGQZ-UHFFFAOYSA-N -2 3 377.470 2.173 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)C1CCCCCCC1 ZINC000823285657 599621838 /nfs/dbraw/zinc/62/18/38/599621838.db2.gz YLOWNYOUVSAGQZ-UHFFFAOYSA-N -2 3 377.470 2.173 20 0 GEADHL Cc1nc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)ccc1Br ZINC000822452926 599691676 /nfs/dbraw/zinc/69/16/76/599691676.db2.gz CFPXWZFGCSLZOK-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL Cc1nc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)ccc1Br ZINC000822452926 599691677 /nfs/dbraw/zinc/69/16/77/599691677.db2.gz CFPXWZFGCSLZOK-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL CCOc1ccc(CC[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1OCC ZINC000521391537 599765499 /nfs/dbraw/zinc/76/54/99/599765499.db2.gz MDJRAHHSBVPXEE-UHFFFAOYSA-N -2 3 383.422 2.296 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(NC(=O)C3CCC3)c2)o1 ZINC000740176495 599770589 /nfs/dbraw/zinc/77/05/89/599770589.db2.gz IIYXFIZZTYZZQG-UHFFFAOYSA-N -2 3 378.406 2.195 20 0 GEADHL COc1ccc(CC[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1OC(F)F ZINC000570088652 599776762 /nfs/dbraw/zinc/77/67/62/599776762.db2.gz LUOSRCIQGJELAB-UHFFFAOYSA-N -2 3 391.348 2.109 20 0 GEADHL C[C@@H](CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C(=O)[O-] ZINC000485928072 599778897 /nfs/dbraw/zinc/77/88/97/599778897.db2.gz CVVTVBYDMWKRJJ-NSHDSACASA-N -2 3 380.397 2.077 20 0 GEADHL Cc1nc([N-]C(=O)c2sccc2S(=O)(=O)C(F)F)sc1C(=O)[O-] ZINC000738361399 599810309 /nfs/dbraw/zinc/81/03/09/599810309.db2.gz PYHMOLMFMNWUDR-UHFFFAOYSA-N -2 3 382.391 2.460 20 0 GEADHL Cc1cc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)ccc1C(=O)[O-] ZINC000738436749 600011383 /nfs/dbraw/zinc/01/13/83/600011383.db2.gz CXZQHYYTIXXYCG-UHFFFAOYSA-N -2 3 383.404 2.389 20 0 GEADHL CCN(CC(=O)[O-])C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000485332478 600024948 /nfs/dbraw/zinc/02/49/48/600024948.db2.gz GRIURPMZYGIVIC-UHFFFAOYSA-N -2 3 380.397 2.173 20 0 GEADHL CC(C)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c(C(=O)[O-])c1 ZINC000736515865 600052725 /nfs/dbraw/zinc/05/27/25/600052725.db2.gz WFKCTSRMMTTXLA-UHFFFAOYSA-N -3 3 388.401 2.193 20 0 GEADHL Cc1ccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)c(C(=O)[O-])c1 ZINC000738621768 600073484 /nfs/dbraw/zinc/07/34/84/600073484.db2.gz KUVKHHBWUGLUFS-UHFFFAOYSA-N -2 3 388.854 2.325 20 0 GEADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(NC(=O)[O-])c1 ZINC000738463834 600100748 /nfs/dbraw/zinc/10/07/48/600100748.db2.gz PNNRVPPCEQSNRW-UHFFFAOYSA-N -3 3 384.341 2.429 20 0 GEADHL COc1cc(OC)c([N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)c(C(=O)[O-])c1 ZINC000737899360 600177822 /nfs/dbraw/zinc/17/78/22/600177822.db2.gz JJOHXIPKJQFMIL-UHFFFAOYSA-N -3 3 395.389 2.042 20 0 GEADHL CN(Cc1ccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)cc1)C(=O)[O-] ZINC000737481128 600343964 /nfs/dbraw/zinc/34/39/64/600343964.db2.gz WPEHILJOBCSTBO-UHFFFAOYSA-N -2 3 386.408 2.054 20 0 GEADHL O=C([O-])NCc1ccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000739989798 600350733 /nfs/dbraw/zinc/35/07/33/600350733.db2.gz XIMUINZNMGDFIF-UHFFFAOYSA-N -2 3 398.419 2.150 20 0 GEADHL O=C([O-])CCCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000739687608 600489808 /nfs/dbraw/zinc/48/98/08/600489808.db2.gz UJWDWEMSSNRPDL-UHFFFAOYSA-N -3 3 379.390 2.429 20 0 GEADHL COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cc1NC(C)=O ZINC000055582044 600542760 /nfs/dbraw/zinc/54/27/60/600542760.db2.gz LJEYZQSFVRMQME-UHFFFAOYSA-N -2 3 394.405 2.161 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2CCSCC2)c(F)cc1Br ZINC000740086970 600634211 /nfs/dbraw/zinc/63/42/11/600634211.db2.gz FCCMTTKMKCHGBG-UHFFFAOYSA-N -2 3 398.275 2.460 20 0 GEADHL Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1n[nH]cc1-c1nnn[n-]1 ZINC000826261547 607460457 /nfs/dbraw/zinc/46/04/57/607460457.db2.gz JIOYODYTLXRDKV-UHFFFAOYSA-N -2 3 375.458 2.305 20 0 GEADHL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1N1CCOC1=O ZINC000743268856 600690690 /nfs/dbraw/zinc/69/06/90/600690690.db2.gz OAEIRWKYPXMYKD-UHFFFAOYSA-N -2 3 392.389 2.151 20 0 GEADHL CC(C)(CC(=O)[O-])NC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000736308161 600788972 /nfs/dbraw/zinc/78/89/72/600788972.db2.gz WCKJLFNNXZMQPI-UHFFFAOYSA-N -2 3 397.280 2.031 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)[C@@H](C)O3)ccc1C(=O)[O-] ZINC000506584876 600887764 /nfs/dbraw/zinc/88/77/64/600887764.db2.gz SRNIWCWHXGJGKN-SNVBAGLBSA-N -2 3 376.390 2.213 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(CCN3CCOCC3)cc2)cs1 ZINC000833305824 600979682 /nfs/dbraw/zinc/97/96/82/600979682.db2.gz BNVOZZRPLCUIRK-UHFFFAOYSA-N -2 3 396.490 2.122 20 0 GEADHL Cc1c([O-])ccc2c(Cn3nnc(-c4ccc(C(=O)[O-])cc4)n3)cc(=O)oc12 ZINC000738305317 600989211 /nfs/dbraw/zinc/98/92/11/600989211.db2.gz MVBHRONTCASFEA-UHFFFAOYSA-N -2 3 378.344 2.207 20 0 GEADHL Cc1[nH]c(C(=O)[C@H](C)N2CCN(C(=O)c3ccccc3[O-])CC2)c(C)c1C(=O)[O-] ZINC000832842987 601007623 /nfs/dbraw/zinc/00/76/23/601007623.db2.gz NWVYPUTUZFZIRH-AWEZNQCLSA-N -2 3 399.447 2.065 20 0 GEADHL O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000565793070 601131536 /nfs/dbraw/zinc/13/15/36/601131536.db2.gz HUDKEPVFHVFCFO-OAHLLOKOSA-N -2 3 380.372 2.420 20 0 GEADHL COc1ccccc1N1CC[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)C1 ZINC000832618518 601219910 /nfs/dbraw/zinc/21/99/10/601219910.db2.gz WOSWFDPVLYNUMV-CYBMUJFWSA-N -2 3 394.449 2.100 20 0 GEADHL CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C12CCC2 ZINC000829931371 601238595 /nfs/dbraw/zinc/23/85/95/601238595.db2.gz NVIBSWJXRAAXGC-NEPJUHHUSA-N -2 3 375.393 2.289 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])c(Cl)cc1Cl ZINC000777909086 601250400 /nfs/dbraw/zinc/25/04/00/601250400.db2.gz QZHOPLFTBMSXDK-UHFFFAOYSA-N -2 3 384.237 2.312 20 0 GEADHL CCc1ccc([C@@H](COC)[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2OC)o1 ZINC000273731837 601251154 /nfs/dbraw/zinc/25/11/54/601251154.db2.gz RYIKQZWUCXNMLN-CYBMUJFWSA-N -2 3 383.422 2.215 20 0 GEADHL CCc1nc(C2([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)CCCC2)no1 ZINC000829175848 601265573 /nfs/dbraw/zinc/26/55/73/601265573.db2.gz MRKMMQBHMVJEOU-UHFFFAOYSA-N -2 3 383.401 2.217 20 0 GEADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000831084660 601388390 /nfs/dbraw/zinc/38/83/90/601388390.db2.gz PPIQNLKFUUMMKX-AWEZNQCLSA-N -2 3 383.809 2.231 20 0 GEADHL CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000767051938 601464800 /nfs/dbraw/zinc/46/48/00/601464800.db2.gz USEZPNXYWLGCNV-KRWDZBQOSA-N -2 3 397.428 2.328 20 0 GEADHL CCOC(=O)c1sc2[n-]c([C@H](C)N3C[C@H](C(=O)[O-])[C@H](C)C3)nc(=O)c2c1C ZINC000829901095 601523067 /nfs/dbraw/zinc/52/30/67/601523067.db2.gz IKQRDZXWGAOCRR-MIMYLULJSA-N -2 3 393.465 2.183 20 0 GEADHL O=C([O-])C[C@@H]1CN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)CCO1 ZINC000833220321 601572006 /nfs/dbraw/zinc/57/20/06/601572006.db2.gz YLWDOADKMBSAIO-SNVBAGLBSA-N -2 3 375.406 2.332 20 0 GEADHL CC[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C(=O)[O-] ZINC000485867730 601749260 /nfs/dbraw/zinc/74/92/60/601749260.db2.gz AFBYFGXUDCEKJN-AWEZNQCLSA-N -2 3 380.397 2.220 20 0 GEADHL COCCOc1ccccc1[N-]S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000826163019 607533603 /nfs/dbraw/zinc/53/36/03/607533603.db2.gz CKHGRRDOBWGUSG-UHFFFAOYSA-N -2 3 389.437 2.001 20 0 GEADHL COCCOc1ccccc1[N-]S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826163019 607533605 /nfs/dbraw/zinc/53/36/05/607533605.db2.gz CKHGRRDOBWGUSG-UHFFFAOYSA-N -2 3 389.437 2.001 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)c1-c1nn[n-]n1 ZINC000826303986 607534947 /nfs/dbraw/zinc/53/49/47/607534947.db2.gz PWJNMCGJCRKJJJ-UHFFFAOYSA-N -3 3 393.812 2.328 20 0 GEADHL CCN1CCc2ccc([N-]S(=O)(=O)c3cccc(C)c3-c3nn[n-]n3)cc21 ZINC000825464283 607535027 /nfs/dbraw/zinc/53/50/27/607535027.db2.gz AQZATWDVQAAYGM-UHFFFAOYSA-N -2 3 384.465 2.358 20 0 GEADHL Cc1oc(S(=O)(=O)[N-]Cc2nnc(-c3ccccc3)s2)cc1C(=O)[O-] ZINC000833027445 601959956 /nfs/dbraw/zinc/95/99/56/601959956.db2.gz UAGQOPBJIUEQEH-UHFFFAOYSA-N -2 3 379.419 2.283 20 0 GEADHL Cc1cc(C)c([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c(C(=O)[O-])c1 ZINC000826263641 607536007 /nfs/dbraw/zinc/53/60/07/607536007.db2.gz LAPIOZJYHDKPAZ-UHFFFAOYSA-N -3 3 387.421 2.291 20 0 GEADHL COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)cc1 ZINC000462101598 601987338 /nfs/dbraw/zinc/98/73/38/601987338.db2.gz KSRTUTMPDBFMKI-UHFFFAOYSA-N -2 3 393.417 2.056 20 0 GEADHL O=C([O-])N1CCC[C@@H](C[N-]S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000740514072 601988704 /nfs/dbraw/zinc/98/87/04/601988704.db2.gz XMKUFQCOZJNUDA-VIFPVBQESA-N -2 3 395.250 2.257 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(Br)nc2)c1-c1nnn[n-]1 ZINC000826303859 607538317 /nfs/dbraw/zinc/53/83/17/607538317.db2.gz JGBQGXUTQDCYSO-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(Br)nc2)c1-c1nn[n-]n1 ZINC000826303859 607538318 /nfs/dbraw/zinc/53/83/18/607538318.db2.gz JGBQGXUTQDCYSO-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2cccc(F)c2)c(Br)o1 ZINC000055313230 602143389 /nfs/dbraw/zinc/14/33/89/602143389.db2.gz VCVBTDRRWZMQCX-UHFFFAOYSA-N -2 3 378.175 2.358 20 0 GEADHL COC1CCC(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CC1 ZINC000831532545 602163479 /nfs/dbraw/zinc/16/34/79/602163479.db2.gz STYHRAGITGYWDO-UHFFFAOYSA-N -2 3 396.259 2.224 20 0 GEADHL C[C@@H](Cc1ccncc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000827596943 602163617 /nfs/dbraw/zinc/16/36/17/602163617.db2.gz HADBZNJPCGZGLU-QMMMGPOBSA-N -2 3 389.227 2.045 20 0 GEADHL C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F)C(=O)[O-] ZINC000270495467 602174235 /nfs/dbraw/zinc/17/42/35/602174235.db2.gz MTHTYTXCRPBCHG-RXMQYKEDSA-N -2 3 376.150 2.219 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(=O)[O-])cc1C(=O)[O-] ZINC000739933402 602243869 /nfs/dbraw/zinc/24/38/69/602243869.db2.gz RAZYOAPIQFLECB-UHFFFAOYSA-N -3 3 392.389 2.235 20 0 GEADHL O=C([O-])Nc1cc(C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)ccc1F ZINC000740695275 602547388 /nfs/dbraw/zinc/54/73/88/602547388.db2.gz HSQFBPUZLONLSR-UHFFFAOYSA-N -2 3 387.367 2.219 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CNC(=O)[O-])C2CCCCC2)s1 ZINC000739792423 602569626 /nfs/dbraw/zinc/56/96/26/602569626.db2.gz NMRQPQPEJCXKCG-LLVKDONJSA-N -2 3 390.483 2.030 20 0 GEADHL O=C([O-])N1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000740519543 602594116 /nfs/dbraw/zinc/59/41/16/602594116.db2.gz ILRZCOVBPRTIOD-SECBINFHSA-N -2 3 381.223 2.009 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)ccc1OCC(=O)[O-] ZINC000740092729 602645555 /nfs/dbraw/zinc/64/55/55/602645555.db2.gz BXBIKPKKMUHKKB-UHFFFAOYSA-N -3 3 380.378 2.349 20 0 GEADHL CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(NC(=O)[O-])ccc2F)c1 ZINC000740000238 602654891 /nfs/dbraw/zinc/65/48/91/602654891.db2.gz XHEKDIATASIGTG-UHFFFAOYSA-N -2 3 388.398 2.120 20 0 GEADHL C[C@@H](CNC(=O)[O-])N(C)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000738934498 602734368 /nfs/dbraw/zinc/73/43/68/602734368.db2.gz TVGGHPIRCNVQPD-QMMMGPOBSA-N -2 3 382.214 2.019 20 0 GEADHL O=C([O-])Nc1ccc(C(=O)NCc2ccccc2CN2CCOCC2)c([O-])c1 ZINC000740699392 602841398 /nfs/dbraw/zinc/84/13/98/602841398.db2.gz YQMKIUUBYOKPST-UHFFFAOYSA-N -2 3 385.420 2.244 20 0 GEADHL COc1ccccc1[C@H](C[N-]S(=O)(=O)c1cccnc1Cl)NC(=O)[O-] ZINC000739965875 602878562 /nfs/dbraw/zinc/87/85/62/602878562.db2.gz YIMGULNWYNIXFB-NSHDSACASA-N -2 3 385.829 2.031 20 0 GEADHL O=C([O-])NC1(C[N-]S(=O)(=O)c2ccc(Br)cn2)CCCCC1 ZINC000832223447 603110597 /nfs/dbraw/zinc/11/05/97/603110597.db2.gz MSPMSBOJWUDFMS-UHFFFAOYSA-N -2 3 392.275 2.093 20 0 GEADHL O=C([O-])NC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000832483628 603125947 /nfs/dbraw/zinc/12/59/47/603125947.db2.gz SOZSKTVQHFKCRO-JGVFFNPUSA-N -2 3 383.289 2.225 20 0 GEADHL O=C([O-])NC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000832513868 603137812 /nfs/dbraw/zinc/13/78/12/603137812.db2.gz KVGMLGFDMVGCFJ-RKDXNWHRSA-N -2 3 382.269 2.493 20 0 GEADHL O=C([O-])N1CCC[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000739925701 603241964 /nfs/dbraw/zinc/24/19/64/603241964.db2.gz DFNVRFVALQPZLB-SECBINFHSA-N -2 3 381.223 2.009 20 0 GEADHL C[C@H](CN(C)C(=O)[O-])C(=O)Nc1cc(I)ccc1[O-] ZINC000824868089 603886217 /nfs/dbraw/zinc/88/62/17/603886217.db2.gz IEBRESALCZGIGH-SSDOTTSWSA-N -2 3 378.166 2.181 20 0 GEADHL O=C([O-])NCc1nc(C(=O)[N-]c2n[nH]c(-c3c(F)cccc3F)n2)cs1 ZINC000832734903 603918225 /nfs/dbraw/zinc/91/82/25/603918225.db2.gz QMMMFRQLBKRIOW-UHFFFAOYSA-N -2 3 380.336 2.226 20 0 GEADHL O=C([O-])N1CC[C@@H](CCNC(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000831665187 604270582 /nfs/dbraw/zinc/27/05/82/604270582.db2.gz BDBHAZCNGNYTLF-SNVBAGLBSA-N -2 3 386.246 2.344 20 0 GEADHL CCOC(=O)c1[n-]c(C)c(S(=O)(=O)Oc2cccc(CC(=O)[O-])c2)c1C ZINC000829869637 604356170 /nfs/dbraw/zinc/35/61/70/604356170.db2.gz HNZPKYRSLIOSJS-UHFFFAOYSA-N -2 3 381.406 2.203 20 0 GEADHL CCOC(=O)c1[n-]c(C)c(S(=O)(=O)Oc2ccccc2CC(=O)[O-])c1C ZINC000829869931 604356390 /nfs/dbraw/zinc/35/63/90/604356390.db2.gz VYBJZHZDSGPVPV-UHFFFAOYSA-N -2 3 381.406 2.203 20 0 GEADHL C[C@H](Oc1ccc(CN2CCN(C(=O)c3ccccc3[O-])CC2)cc1)C(=O)[O-] ZINC000833537928 604578422 /nfs/dbraw/zinc/57/84/22/604578422.db2.gz ABVNMCDLTHWTPO-HNNXBMFYSA-N -2 3 384.432 2.202 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2cc3[nH]ncc3c(C)c2)c(OC)c1C(=O)[O-] ZINC000833734424 604861103 /nfs/dbraw/zinc/86/11/03/604861103.db2.gz DJQRBONDAOGHFT-UHFFFAOYSA-N -2 3 391.405 2.388 20 0 GEADHL Cc1nc(C)c(CCC(=O)N[C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c(=O)[n-]1 ZINC000833754804 604872737 /nfs/dbraw/zinc/87/27/37/604872737.db2.gz JMJDQRDPDLFRCN-HNNXBMFYSA-N -2 3 381.791 2.466 20 0 GEADHL Cc1nc(C)c(CCC(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c(=O)[n-]1 ZINC000833754805 604872819 /nfs/dbraw/zinc/87/28/19/604872819.db2.gz JMJDQRDPDLFRCN-OAHLLOKOSA-N -2 3 381.791 2.466 20 0 GEADHL CN1CC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)[C@@H]1c1ccc(Cl)cc1 ZINC000833697342 604909540 /nfs/dbraw/zinc/90/95/40/604909540.db2.gz FPULLMXSTQWWFS-DOMZBBRYSA-N -2 3 384.841 2.355 20 0 GEADHL C[N-]S(=O)(=O)c1cc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)c(C)o1 ZINC000262860704 604938567 /nfs/dbraw/zinc/93/85/67/604938567.db2.gz DEGVDIZSOFXQAO-UHFFFAOYSA-N -2 3 394.449 2.003 20 0 GEADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1cccs1 ZINC000392982908 605015053 /nfs/dbraw/zinc/01/50/53/605015053.db2.gz CMNMXNQHIKSWTM-NSHDSACASA-N -2 3 387.410 2.168 20 0 GEADHL CC(C)COc1ccc(CC[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000514934331 605025425 /nfs/dbraw/zinc/02/54/25/605025425.db2.gz GGOIVMJNHMYCDL-UHFFFAOYSA-N -2 3 384.479 2.397 20 0 GEADHL CCC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C(=O)OC)c1ccccn1 ZINC000833649226 605025892 /nfs/dbraw/zinc/02/58/92/605025892.db2.gz FEPLZLZUDHVKEB-LLVKDONJSA-N -2 3 398.462 2.448 20 0 GEADHL C[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)[C@@H](O)c1ccc(F)cc1 ZINC000833523706 605035426 /nfs/dbraw/zinc/03/54/26/605035426.db2.gz WFAUIWBQQFDGQU-VXJOIVPMSA-N -2 3 389.351 2.203 20 0 GEADHL C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)[C@H](O)c1cccc(F)c1 ZINC000833522511 605043942 /nfs/dbraw/zinc/04/39/42/605043942.db2.gz BIHVKZRDXDWORV-GLEZIHRCSA-N -2 3 389.351 2.203 20 0 GEADHL CC(C)(C)OC(=O)N1CCCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000833438239 605203696 /nfs/dbraw/zinc/20/36/96/605203696.db2.gz AVMFHFLFANUENM-GFCCVEGCSA-N -2 3 388.442 2.046 20 0 GEADHL C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000825824396 605412605 /nfs/dbraw/zinc/41/26/05/605412605.db2.gz SBRUWHTXPSPXSY-ONGXEEELSA-N -2 3 386.246 2.485 20 0 GEADHL CS(=O)(=O)[N-]c1ccccc1NC(=O)C[C@H](NC(=O)[O-])c1ccccc1 ZINC000829691923 605577530 /nfs/dbraw/zinc/57/75/30/605577530.db2.gz UCWWKCKXCAWDNQ-HNNXBMFYSA-N -2 3 377.422 2.396 20 0 GEADHL O=C([O-])Nc1cccc(CC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000834266237 605831783 /nfs/dbraw/zinc/83/17/83/605831783.db2.gz XTBVHCSBABNLKR-UHFFFAOYSA-N -2 3 383.404 2.009 20 0 GEADHL C[C@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)s1 ZINC000819866368 606176334 /nfs/dbraw/zinc/17/63/34/606176334.db2.gz MAWSWHFANXGCMJ-QMMMGPOBSA-N -2 3 397.869 2.190 20 0 GEADHL C[C@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)s1 ZINC000819866368 606176336 /nfs/dbraw/zinc/17/63/36/606176336.db2.gz MAWSWHFANXGCMJ-QMMMGPOBSA-N -2 3 397.869 2.190 20 0 GEADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1nc(-c2ccccc2)ns1 ZINC000822151658 606180565 /nfs/dbraw/zinc/18/05/65/606180565.db2.gz DOBVMDARKHFWKB-UHFFFAOYSA-N -2 3 399.461 2.494 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1nc(-c2ccccc2)ns1 ZINC000822151658 606180567 /nfs/dbraw/zinc/18/05/67/606180567.db2.gz DOBVMDARKHFWKB-UHFFFAOYSA-N -2 3 399.461 2.494 20 0 GEADHL O=S(=O)([N-]c1ccc(-c2ncc[nH]2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823583080 606181371 /nfs/dbraw/zinc/18/13/71/606181371.db2.gz HCFISNWHFMYXTC-UHFFFAOYSA-N -2 3 385.384 2.197 20 0 GEADHL O=S(=O)([N-]c1ccc(-c2ncc[nH]2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823583080 606181372 /nfs/dbraw/zinc/18/13/72/606181372.db2.gz HCFISNWHFMYXTC-UHFFFAOYSA-N -2 3 385.384 2.197 20 0 GEADHL O=S(=O)([N-]c1cnc2ccccc2n1)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000823589036 606206476 /nfs/dbraw/zinc/20/64/76/606206476.db2.gz JGNQJMBSFHUXFC-UHFFFAOYSA-N -2 3 387.812 2.264 20 0 GEADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1ccc(Br)cc1 ZINC000823583653 606336771 /nfs/dbraw/zinc/33/67/71/606336771.db2.gz WXOSYVRBCPQUDU-UHFFFAOYSA-N -2 3 396.226 2.136 20 0 GEADHL Cn1cnc2cc([N-]S(=O)(=O)c3cccc(Cl)c3-c3nnn[n-]3)ccc21 ZINC000822698775 606359323 /nfs/dbraw/zinc/35/93/23/606359323.db2.gz DZRBDMVQZQDCCR-UHFFFAOYSA-N -2 3 389.828 2.208 20 0 GEADHL Cn1cnc2cc([N-]S(=O)(=O)c3cccc(Cl)c3-c3nn[n-]n3)ccc21 ZINC000822698775 606359324 /nfs/dbraw/zinc/35/93/24/606359324.db2.gz DZRBDMVQZQDCCR-UHFFFAOYSA-N -2 3 389.828 2.208 20 0 GEADHL CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821061111 606393209 /nfs/dbraw/zinc/39/32/09/606393209.db2.gz NCFKAOTXIRJCGV-UHFFFAOYSA-N -2 3 375.458 2.363 20 0 GEADHL CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821061111 606393210 /nfs/dbraw/zinc/39/32/10/606393210.db2.gz NCFKAOTXIRJCGV-UHFFFAOYSA-N -2 3 375.458 2.363 20 0 GEADHL O=S(=O)([N-]c1nnc(C2CC2)s1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823589219 606469656 /nfs/dbraw/zinc/46/96/56/606469656.db2.gz UBLIFIWCEMGXSF-UHFFFAOYSA-N -2 3 383.846 2.050 20 0 GEADHL O=S(=O)([N-]c1nnc(C2CC2)s1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000823589219 606469657 /nfs/dbraw/zinc/46/96/57/606469657.db2.gz UBLIFIWCEMGXSF-UHFFFAOYSA-N -2 3 383.846 2.050 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2Cl)oc1C ZINC000821667979 606712332 /nfs/dbraw/zinc/71/23/32/606712332.db2.gz JOPDAPWOQPLFNI-UHFFFAOYSA-N -2 3 397.800 2.009 20 0 GEADHL O=S(=O)([N-]c1ccccc1OCC(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000823588768 606789585 /nfs/dbraw/zinc/78/95/85/606789585.db2.gz AZCZYUPDCGPYOJ-UHFFFAOYSA-N -2 3 381.364 2.311 20 0 GEADHL O=S(=O)([N-]c1ccccc1OCC(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000823588768 606789587 /nfs/dbraw/zinc/78/95/87/606789587.db2.gz AZCZYUPDCGPYOJ-UHFFFAOYSA-N -2 3 381.364 2.311 20 0 GEADHL CSc1ccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2-c2nn[n-]n2)cc1 ZINC000821984773 606820793 /nfs/dbraw/zinc/82/07/93/606820793.db2.gz SLJXSVLBJLHVEX-UHFFFAOYSA-N -2 3 390.494 2.455 20 0 GEADHL CC(=O)c1ccccc1[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819844698 606863579 /nfs/dbraw/zinc/86/35/79/606863579.db2.gz KUYUHMBWDFEFLC-UHFFFAOYSA-N -2 3 379.348 2.148 20 0 GEADHL CC(=O)c1ccccc1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819844698 606863580 /nfs/dbraw/zinc/86/35/80/606863580.db2.gz KUYUHMBWDFEFLC-UHFFFAOYSA-N -2 3 379.348 2.148 20 0 GEADHL O=S(=O)([N-]c1cccc2cccnc21)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823589139 606865577 /nfs/dbraw/zinc/86/55/77/606865577.db2.gz PGLNWXNRBRVNMA-UHFFFAOYSA-N -2 3 388.359 2.494 20 0 GEADHL O=S(=O)([N-]c1cccc2cccnc21)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823589139 606865579 /nfs/dbraw/zinc/86/55/79/606865579.db2.gz PGLNWXNRBRVNMA-UHFFFAOYSA-N -2 3 388.359 2.494 20 0 GEADHL Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000822212696 606866270 /nfs/dbraw/zinc/86/62/70/606866270.db2.gz COSLHFABDGGRNL-UHFFFAOYSA-N -2 3 391.363 2.130 20 0 GEADHL Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000822212696 606866272 /nfs/dbraw/zinc/86/62/72/606866272.db2.gz COSLHFABDGGRNL-UHFFFAOYSA-N -2 3 391.363 2.130 20 0 GEADHL O=S(=O)([N-]CCSc1ccccc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823578109 606885521 /nfs/dbraw/zinc/88/55/21/606885521.db2.gz IEQCXLNUXMMFET-UHFFFAOYSA-N -2 3 397.432 2.216 20 0 GEADHL C[C@@H](Cc1ccccc1F)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820298811 606886227 /nfs/dbraw/zinc/88/62/27/606886227.db2.gz AQAYXMZPIRNXJF-VIFPVBQESA-N -2 3 397.382 2.194 20 0 GEADHL C[C@H](C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccc(F)cc1 ZINC000820276161 606887343 /nfs/dbraw/zinc/88/73/43/606887343.db2.gz SZMHJLFXWXRJOS-SECBINFHSA-N -2 3 397.382 2.366 20 0 GEADHL O=S(=O)([N-][C@H]1C[C@H]1c1cccc(F)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823573196 606888987 /nfs/dbraw/zinc/88/89/87/606888987.db2.gz RYJTXLMMVXOOLF-FZMZJTMJSA-N -2 3 395.366 2.118 20 0 GEADHL CCC[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccn1 ZINC000821023118 606890521 /nfs/dbraw/zinc/89/05/21/606890521.db2.gz WVKAVTNFXUGLHH-CQSZACIVSA-N -2 3 394.407 2.360 20 0 GEADHL O=S(=O)([N-]CCCc1cccc(F)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572048 606891134 /nfs/dbraw/zinc/89/11/34/606891134.db2.gz AOINRCXLLUYLRS-UHFFFAOYSA-N -2 3 397.382 2.195 20 0 GEADHL Cc1ccn(-c2ccccc2[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000822369406 607034979 /nfs/dbraw/zinc/03/49/79/607034979.db2.gz IWRVISWIEPARSB-UHFFFAOYSA-N -2 3 399.411 2.301 20 0 GEADHL Cc1ccn(-c2ccccc2[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000822369406 607034981 /nfs/dbraw/zinc/03/49/81/607034981.db2.gz IWRVISWIEPARSB-UHFFFAOYSA-N -2 3 399.411 2.301 20 0 GEADHL CC[C@@](NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)(C(=O)[O-])c1ccccc1 ZINC000820913969 607104367 /nfs/dbraw/zinc/10/43/67/607104367.db2.gz LVMYKGIDSAXUEM-XCLFUZPHSA-N -2 3 395.419 2.140 20 0 GEADHL CC[C@@](NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)(C(=O)[O-])c1ccccc1 ZINC000820913969 607104368 /nfs/dbraw/zinc/10/43/68/607104368.db2.gz LVMYKGIDSAXUEM-XCLFUZPHSA-N -2 3 395.419 2.140 20 0 GEADHL Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000822210402 607108932 /nfs/dbraw/zinc/10/89/32/607108932.db2.gz AAMZARZPKRDGTQ-LBPRGKRZSA-N -2 3 397.391 2.045 20 0 GEADHL Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000822210402 607108934 /nfs/dbraw/zinc/10/89/34/607108934.db2.gz AAMZARZPKRDGTQ-LBPRGKRZSA-N -2 3 397.391 2.045 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CC1(C)CCCCC1 ZINC000826279317 607806609 /nfs/dbraw/zinc/80/66/09/607806609.db2.gz MSTILRLZDSBAFS-UHFFFAOYSA-N -2 3 377.470 2.341 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CC1(C)CCCCC1 ZINC000826279317 607806610 /nfs/dbraw/zinc/80/66/10/607806610.db2.gz MSTILRLZDSBAFS-UHFFFAOYSA-N -2 3 377.470 2.341 20 0 GEADHL CCCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000825331867 607816764 /nfs/dbraw/zinc/81/67/64/607816764.db2.gz AXKBBACVCBCCRH-UHFFFAOYSA-N -2 3 390.473 2.267 20 0 GEADHL CC(C)(C)SCCCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000824123892 607836482 /nfs/dbraw/zinc/83/64/82/607836482.db2.gz LLROMHCHWLKZCO-UHFFFAOYSA-N -2 3 397.526 2.125 20 0 GEADHL CC(C)(C)SCCCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000824123892 607836483 /nfs/dbraw/zinc/83/64/83/607836483.db2.gz LLROMHCHWLKZCO-UHFFFAOYSA-N -2 3 397.526 2.125 20 0 GEADHL Cc1ncc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(-c3nnn[n-]3)c2)s1 ZINC000826330297 607846503 /nfs/dbraw/zinc/84/65/03/607846503.db2.gz NQROGHCKCBJMTF-UHFFFAOYSA-N -2 3 380.455 2.220 20 0 GEADHL Cc1ncc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(-c3nn[n-]n3)c2)s1 ZINC000826330297 607846504 /nfs/dbraw/zinc/84/65/04/607846504.db2.gz NQROGHCKCBJMTF-UHFFFAOYSA-N -2 3 380.455 2.220 20 0 GEADHL CC(C)CSCCC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824274061 607907246 /nfs/dbraw/zinc/90/72/46/607907246.db2.gz CNXVBFPPRGHTNI-UHFFFAOYSA-N -2 3 391.469 2.203 20 0 GEADHL CC[C@@H]([N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1c(C)noc1C ZINC000825147253 607939092 /nfs/dbraw/zinc/93/90/92/607939092.db2.gz GXFKGDAYKZAGGQ-GFCCVEGCSA-N -2 3 398.395 2.179 20 0 GEADHL CCSCc1ccnc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000825673842 608057380 /nfs/dbraw/zinc/05/73/80/608057380.db2.gz DPLNMYFFXFPJJQ-UHFFFAOYSA-N -2 3 376.467 2.316 20 0 GEADHL CCSCc1ccnc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000825673842 608057381 /nfs/dbraw/zinc/05/73/81/608057381.db2.gz DPLNMYFFXFPJJQ-UHFFFAOYSA-N -2 3 376.467 2.316 20 0 GEADHL CC(C)(C)n1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)Cc2ccc(F)cc2F)n1 ZINC000824148237 608219403 /nfs/dbraw/zinc/21/94/03/608219403.db2.gz PPLDYKRDNWYYGN-UHFFFAOYSA-N -2 3 397.411 2.038 20 0 GEADHL CCCc1cc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)n(C)n1 ZINC000825348524 608220307 /nfs/dbraw/zinc/22/03/07/608220307.db2.gz OWSRWQLQZLZOPG-UHFFFAOYSA-N -2 3 381.849 2.007 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)[C@H](c1ccccc1)C1CC1 ZINC000826449835 608247710 /nfs/dbraw/zinc/24/77/10/608247710.db2.gz LQURLMXCYRGWHO-QGZVFWFLSA-N -2 3 397.460 2.007 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)[C@H](c1ccccc1)C1CC1 ZINC000826449835 608247713 /nfs/dbraw/zinc/24/77/13/608247713.db2.gz LQURLMXCYRGWHO-QGZVFWFLSA-N -2 3 397.460 2.007 20 0 GEADHL Cc1nc(Br)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826322785 608294756 /nfs/dbraw/zinc/29/47/56/608294756.db2.gz BHBYEZGTOGYOKI-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1c(Cl)cc(Cl)cc1Cl ZINC000826492344 608307262 /nfs/dbraw/zinc/30/72/62/608307262.db2.gz GBCVZKDTBIGECF-UHFFFAOYSA-N -2 3 394.631 2.351 20 0 GEADHL Cn1cc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c(-c2ccccc2)n1 ZINC000826362183 608309236 /nfs/dbraw/zinc/30/92/36/608309236.db2.gz HJAMBEBNZWREIU-UHFFFAOYSA-N -2 3 381.421 2.068 20 0 GEADHL Cn1cc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c(-c2ccccc2)n1 ZINC000826362183 608309238 /nfs/dbraw/zinc/30/92/38/608309238.db2.gz HJAMBEBNZWREIU-UHFFFAOYSA-N -2 3 381.421 2.068 20 0 GEADHL CC(C)c1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824216378 608493826 /nfs/dbraw/zinc/49/38/26/608493826.db2.gz QQUUQKVJKGINMB-MRXNPFEDSA-N -2 3 389.419 2.480 20 0 GEADHL CC(C)c1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824216378 608493828 /nfs/dbraw/zinc/49/38/28/608493828.db2.gz QQUUQKVJKGINMB-MRXNPFEDSA-N -2 3 389.419 2.480 20 0 GEADHL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1C ZINC000825081669 608582154 /nfs/dbraw/zinc/58/21/54/608582154.db2.gz LRUMISMKMKLKKK-SECBINFHSA-N -2 3 379.421 2.283 20 0 GEADHL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1C ZINC000825081669 608582156 /nfs/dbraw/zinc/58/21/56/608582156.db2.gz LRUMISMKMKLKKK-SECBINFHSA-N -2 3 379.421 2.283 20 0 GEADHL Cc1cc(C)cc(CCC(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000826264644 609257760 /nfs/dbraw/zinc/25/77/60/609257760.db2.gz VGCRLFSDDIWNGH-UHFFFAOYSA-N -2 3 399.476 2.230 20 0 GEADHL Cc1cc(C)cc(CCC(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000826264644 609257762 /nfs/dbraw/zinc/25/77/62/609257762.db2.gz VGCRLFSDDIWNGH-UHFFFAOYSA-N -2 3 399.476 2.230 20 0 GEADHL Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000826304075 609273970 /nfs/dbraw/zinc/27/39/70/609273970.db2.gz VECNLVQVCVDABQ-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826304075 609273972 /nfs/dbraw/zinc/27/39/72/609273972.db2.gz VECNLVQVCVDABQ-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C1(C)CCCCCC1 ZINC000826279303 609356656 /nfs/dbraw/zinc/35/66/56/609356656.db2.gz MNTVHWHEFHMHMQ-UHFFFAOYSA-N -2 3 377.470 2.341 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C1(C)CCCCCC1 ZINC000826279303 609356658 /nfs/dbraw/zinc/35/66/58/609356658.db2.gz MNTVHWHEFHMHMQ-UHFFFAOYSA-N -2 3 377.470 2.341 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2c(C)c(F)ccc2C(=O)[O-])c1-c1nnn[n-]1 ZINC000826303931 609371616 /nfs/dbraw/zinc/37/16/16/609371616.db2.gz MZJYAYDFBSMSRO-UHFFFAOYSA-N -3 3 391.384 2.122 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2c(C)c(F)ccc2C(=O)[O-])c1-c1nn[n-]n1 ZINC000826303931 609371618 /nfs/dbraw/zinc/37/16/18/609371618.db2.gz MZJYAYDFBSMSRO-UHFFFAOYSA-N -3 3 391.384 2.122 20 0 GEADHL O=S(=O)([N-]c1cccc2c1OCO2)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826493112 609458000 /nfs/dbraw/zinc/45/80/00/609458000.db2.gz UIWLJEABHLZBIW-UHFFFAOYSA-N -2 3 379.785 2.050 20 0 GEADHL O=S(=O)([N-]c1cccc2c1OCO2)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826493112 609458003 /nfs/dbraw/zinc/45/80/03/609458003.db2.gz UIWLJEABHLZBIW-UHFFFAOYSA-N -2 3 379.785 2.050 20 0 GEADHL CSc1c(F)cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1F ZINC000826229981 609469199 /nfs/dbraw/zinc/46/91/99/609469199.db2.gz ZEZGPQWYDUGPAN-UHFFFAOYSA-N -2 3 384.393 2.063 20 0 GEADHL Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826255618 609469435 /nfs/dbraw/zinc/46/94/35/609469435.db2.gz DQRPWWRNJGFCCC-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)nn1[C@H](C)C1CC1 ZINC000826271495 609469702 /nfs/dbraw/zinc/46/97/02/609469702.db2.gz UMMGVOBNUMMJJQ-SNVBAGLBSA-N -2 3 391.432 2.283 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)nn1[C@H](C)C1CC1 ZINC000826271495 609469704 /nfs/dbraw/zinc/46/97/04/609469704.db2.gz UMMGVOBNUMMJJQ-SNVBAGLBSA-N -2 3 391.432 2.283 20 0 GEADHL O=S(=O)([N-]c1ccc2c[nH]nc2c1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826492973 609525202 /nfs/dbraw/zinc/52/52/02/609525202.db2.gz NOJUIBYKISOWQO-UHFFFAOYSA-N -2 3 375.801 2.197 20 0 GEADHL COc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cc1F ZINC000826210374 609525995 /nfs/dbraw/zinc/52/59/95/609525995.db2.gz OQDYKKRODMWCQT-UHFFFAOYSA-N -2 3 383.792 2.469 20 0 GEADHL COc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cc1F ZINC000826210374 609525996 /nfs/dbraw/zinc/52/59/96/609525996.db2.gz OQDYKKRODMWCQT-UHFFFAOYSA-N -2 3 383.792 2.469 20 0 GEADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2cncc(Cl)c2)c1 ZINC000506994258 650452440 /nfs/dbraw/zinc/45/24/40/650452440.db2.gz GPTCWAFOQXAUKM-UHFFFAOYSA-N -2 3 375.859 2.216 20 0 GEADHL COc1ccc(F)cc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000507012020 650453232 /nfs/dbraw/zinc/45/32/32/650453232.db2.gz FOQCNKIYCMUDBX-UHFFFAOYSA-N -2 3 392.405 2.146 20 0 GEADHL COCc1ccccc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000511194974 650529120 /nfs/dbraw/zinc/52/91/20/650529120.db2.gz WCGHUMDNSQQPSD-UHFFFAOYSA-N -2 3 388.442 2.144 20 0 GEADHL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(N)=O)cc1F ZINC000479391018 650602853 /nfs/dbraw/zinc/60/28/53/650602853.db2.gz MPYBFGMQUMEVOA-UHFFFAOYSA-N -2 3 386.788 2.385 20 0 GEADHL O=C([O-])[C@@H](CN1CCCCC1)[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000530541148 650725985 /nfs/dbraw/zinc/72/59/85/650725985.db2.gz ZQRQGEVELHLXCN-SNVBAGLBSA-N -2 3 399.271 2.350 20 0 GEADHL COc1cc(C)ccc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000057119542 642805186 /nfs/dbraw/zinc/80/51/86/642805186.db2.gz WEGPPXCERHTFSM-UHFFFAOYSA-N -2 3 388.442 2.315 20 0 GEADHL CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000057116092 642805462 /nfs/dbraw/zinc/80/54/62/642805462.db2.gz HKBUFJIRABNZBL-UHFFFAOYSA-N -2 3 386.426 2.201 20 0 GEADHL CS(=O)(=O)c1ccc(Cl)c(C(=O)[N-]N=c2cnc3ccccc3[n-]2)c1 ZINC000183686382 645001644 /nfs/dbraw/zinc/00/16/44/645001644.db2.gz YKLSDAJUUBIAMB-UHFFFAOYSA-N -2 3 376.825 2.444 20 0 GEADHL CCCSC[C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000547582785 651035355 /nfs/dbraw/zinc/03/53/55/651035355.db2.gz XLPQYXPTVCIAAQ-SSDOTTSWSA-N -2 3 388.330 2.385 20 0 GEADHL CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1sc(C(=O)OC)cc1OC)C(=O)[O-] ZINC000547609129 651038992 /nfs/dbraw/zinc/03/89/92/651038992.db2.gz OHBCNJDMBKJJEK-NXEZZACHSA-N -2 3 393.483 2.101 20 0 GEADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cn1)c1ccccc1 ZINC000547616863 651039344 /nfs/dbraw/zinc/03/93/44/651039344.db2.gz JTOVYSPYHMUUID-LBPRGKRZSA-N -2 3 399.266 2.381 20 0 GEADHL CCOC(=O)c1cc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])cn1C ZINC000547872097 651048929 /nfs/dbraw/zinc/04/89/29/651048929.db2.gz VOKPLYPVTPHYAZ-UHFFFAOYSA-N -2 3 386.813 2.354 20 0 GEADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cnc3n2CCC3)c(Br)c1 ZINC000547923965 651055760 /nfs/dbraw/zinc/05/57/60/651055760.db2.gz KFLGHGRNMZJQLV-UHFFFAOYSA-N -2 3 386.227 2.091 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ncccc2C)cc1F ZINC000271821565 646231542 /nfs/dbraw/zinc/23/15/42/646231542.db2.gz CZNKNJFVMQYOCW-UHFFFAOYSA-N -2 3 387.458 2.482 20 0 GEADHL O=C([O-])[C@H]1C=C[C@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000274993628 646340573 /nfs/dbraw/zinc/34/05/73/646340573.db2.gz KYWUMCCFEWAUMA-CBAPKCEASA-N -2 3 380.647 2.410 20 0 GEADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(C)(C)C ZINC000275053613 646345199 /nfs/dbraw/zinc/34/51/99/646345199.db2.gz XPBMBZZJCBTQIS-SNVBAGLBSA-N -2 3 375.418 2.028 20 0 GEADHL Cc1nc(CCC[N-]S(=O)(=O)c2ccc(F)cc2F)sc1C(=O)[O-] ZINC000275253796 646349886 /nfs/dbraw/zinc/34/98/86/646349886.db2.gz LMHACWJBJBIWEA-UHFFFAOYSA-N -2 3 376.406 2.339 20 0 GEADHL CC(C)(C)c1coc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)n1 ZINC000427759596 648728481 /nfs/dbraw/zinc/72/84/81/648728481.db2.gz MPOCEBBGIGXFDX-UHFFFAOYSA-N -2 3 391.446 2.284 20 0 GEADHL CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1C(=O)OC)C(=O)[O-] ZINC000548260298 651073796 /nfs/dbraw/zinc/07/37/96/651073796.db2.gz BGOSJNBGZYHORB-GWCFXTLKSA-N -2 3 375.418 2.170 20 0 GEADHL COC(=O)CC[C@H]([N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)C(=O)[O-] ZINC000548528347 651079246 /nfs/dbraw/zinc/07/92/46/651079246.db2.gz BQVUFXAFRAUNDW-NSHDSACASA-N -2 3 389.813 2.079 20 0 GEADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2cc(F)c(Br)cc2F)o1 ZINC000548589384 651080806 /nfs/dbraw/zinc/08/08/06/651080806.db2.gz OROIJBVKMSTHRU-UHFFFAOYSA-N -2 3 396.165 2.497 20 0 GEADHL C[C@@H]([C@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-])C1CC1 ZINC000548866420 651088078 /nfs/dbraw/zinc/08/80/78/651088078.db2.gz CPXPZSGPXCYNSE-KRTXAFLBSA-N -2 3 380.235 2.366 20 0 GEADHL O=C([O-])[C@@H](CC1CC1)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000553951859 651195158 /nfs/dbraw/zinc/19/51/58/651195158.db2.gz IORXUJCGMQSPOF-CYBMUJFWSA-N -2 3 379.210 2.274 20 0 GEADHL CC(C)(C)OC[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(=O)[O-] ZINC000560418930 651309270 /nfs/dbraw/zinc/30/92/70/651309270.db2.gz IGAAUBDFEOHVIT-JTQLQIEISA-N -2 3 387.351 2.391 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])CC(C)(C)C)c(F)c1 ZINC000567144646 651618635 /nfs/dbraw/zinc/61/86/35/651618635.db2.gz XSLRXZGDJLDLAJ-NSHDSACASA-N -2 3 375.418 2.170 20 0 GEADHL O=C([O-])c1nscc1S(=O)(=O)[N-]CCCc1nc2c(s1)CCCC2 ZINC000645962895 651671706 /nfs/dbraw/zinc/67/17/06/651671706.db2.gz NMBJGRVTUHHGPH-UHFFFAOYSA-N -2 3 387.508 2.088 20 0 GEADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)o1 ZINC000573060203 651931528 /nfs/dbraw/zinc/93/15/28/651931528.db2.gz HAGKMTXKBRRUKN-UHFFFAOYSA-N -2 3 383.275 2.494 20 0 GEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)c[n-]1 ZINC000618906276 652037986 /nfs/dbraw/zinc/03/79/86/652037986.db2.gz DIUCAGWDEDWUST-UHFFFAOYSA-N -2 3 375.353 2.031 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@H](C)COc2c(F)cccc2F)cc1C(=O)[O-] ZINC000656721057 652049321 /nfs/dbraw/zinc/04/93/21/652049321.db2.gz HSEWTJHECSHPHX-MRVPVSSYSA-N -2 3 375.349 2.310 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)COc2c(F)cccc2F)cc1C(=O)[O-] ZINC000656721058 652049381 /nfs/dbraw/zinc/04/93/81/652049381.db2.gz HSEWTJHECSHPHX-QMMMGPOBSA-N -2 3 375.349 2.310 20 0 GEADHL Cc1c(Br)ccc(C(=O)[O-])c1[N-]S(=O)(=O)[C@H]1CCO[C@H]1C ZINC000578240837 652256026 /nfs/dbraw/zinc/25/60/26/652256026.db2.gz JEACYQPADFYNBL-KWQFWETISA-N -2 3 378.244 2.375 20 0 GEADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1F)C(F)F ZINC000579665231 652349359 /nfs/dbraw/zinc/34/93/59/652349359.db2.gz VAHATSSLZMKPQM-LURJTMIESA-N -2 3 395.277 2.359 20 0 GEADHL O=C([O-])[C@@H](CC(F)F)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000582363812 652447604 /nfs/dbraw/zinc/44/76/04/652447604.db2.gz KESADVCVAIDAGA-SSDOTTSWSA-N -2 3 392.605 2.489 20 0 GEADHL CCOC(=O)CSc1nnc([N-]C(=O)c2c(F)ccc([O-])c2F)s1 ZINC000582427420 652449697 /nfs/dbraw/zinc/44/96/97/652449697.db2.gz SCNGTTJQCWTGII-UHFFFAOYSA-N -2 3 375.378 2.429 20 0 GEADHL O=C([O-])CC[C@H](C[N-]S(=O)(=O)c1cccc2nsnc21)C(F)(F)F ZINC000663293963 652490553 /nfs/dbraw/zinc/49/05/53/652490553.db2.gz NONJOSHDGONQBK-SSDOTTSWSA-N -2 3 383.373 2.013 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]Cc2cccc(OCC(F)F)c2)oc1C(=O)[O-] ZINC000663422243 652497936 /nfs/dbraw/zinc/49/79/36/652497936.db2.gz HBSIRRAWMOKXOI-UHFFFAOYSA-N -2 3 375.349 2.409 20 0 GEADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000584716616 652526852 /nfs/dbraw/zinc/52/68/52/652526852.db2.gz HEARZBUTTJVCTE-AAEUAGOBSA-N -2 3 386.426 2.179 20 0 GEADHL CO[C@H](CS(=O)(=O)[N-]c1cc(Br)cc(CC(=O)[O-])c1)C(C)C ZINC000634797137 652667586 /nfs/dbraw/zinc/66/75/86/652667586.db2.gz SPPSTZKVVLDZFJ-CYBMUJFWSA-N -2 3 394.287 2.489 20 0 GEADHL CN(C)c1nc(C(=O)[N-]OCc2ccc(F)cc2Br)cc(=O)[n-]1 ZINC000765535145 652843042 /nfs/dbraw/zinc/84/30/42/652843042.db2.gz HROUVSYLGJYVOP-UHFFFAOYSA-N -2 3 385.193 2.011 20 0 GEADHL COc1cccc(C[C@@H]([N-]S(=O)(=O)c2cccc(Cl)c2F)C(=O)[O-])c1 ZINC000681562748 653185851 /nfs/dbraw/zinc/18/58/51/653185851.db2.gz ZROIBKCDSPMTCC-CYBMUJFWSA-N -2 3 387.816 2.462 20 0 GEADHL CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC)C(=O)[O-] ZINC000776583827 653361395 /nfs/dbraw/zinc/36/13/95/653361395.db2.gz MPZVHMKPEYWPGF-NXEZZACHSA-N -2 3 392.861 2.079 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)[C@H](O)c1ccccc1 ZINC000776602268 653363639 /nfs/dbraw/zinc/36/36/39/653363639.db2.gz NKYOGXJIFKWQTP-UONOGXRCSA-N -2 3 390.244 2.459 20 0 GEADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000776603295 653363653 /nfs/dbraw/zinc/36/36/53/653363653.db2.gz KPOPRDMKKGCWDZ-JTQLQIEISA-N -2 3 396.227 2.279 20 0 GEADHL COC(=O)c1sc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C(C)C)c(C)c1Cl ZINC000788442931 653756584 /nfs/dbraw/zinc/75/65/84/653756584.db2.gz RRHOKTKJKDPJSB-MRVPVSSYSA-N -2 3 383.875 2.132 20 0 GEADHL COC(=O)c1sc(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)c(C)c1Cl ZINC000788443144 653756618 /nfs/dbraw/zinc/75/66/18/653756618.db2.gz TUKOZKAQNNGGPZ-UHFFFAOYSA-N -2 3 395.886 2.420 20 0 GEADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000821090444 653790341 /nfs/dbraw/zinc/79/03/41/653790341.db2.gz WWTWEJUQMJPYFU-UHFFFAOYSA-N -3 3 385.781 2.331 20 0 GEADHL Cn1cc(S(=O)(=O)[N-]CCC[C@H](Cc2ccccc2)C(=O)[O-])nc1Cl ZINC000790621781 653794346 /nfs/dbraw/zinc/79/43/46/653794346.db2.gz CACLJFHNFGZFND-CYBMUJFWSA-N -2 3 385.873 2.076 20 0 GEADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C[C@H](C)C(=O)[O-])c1 ZINC000794761797 653918720 /nfs/dbraw/zinc/91/87/20/653918720.db2.gz XDDKDUXIGZGJAB-JTQLQIEISA-N -2 3 375.418 2.170 20 0 GEADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccsc2)c1 ZINC000794760113 653918793 /nfs/dbraw/zinc/91/87/93/653918793.db2.gz CLCPBVBSWUMRBH-ZDUSSCGKSA-N -2 3 387.410 2.168 20 0 GEADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCOC[C@H]2CC(=O)[O-])c1Cl ZINC000899949946 654041197 /nfs/dbraw/zinc/04/11/97/654041197.db2.gz MDRZHAXRHHJKOX-KOLCDFICSA-N -2 3 382.265 2.460 20 0 GEADHL C[C@@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)c2cc(Br)ccc2[O-])C1 ZINC000830832819 654145774 /nfs/dbraw/zinc/14/57/74/654145774.db2.gz JLJMQGZZPRGTHM-CYBMUJFWSA-N -2 3 395.175 2.438 20 0 GEADHL CC1(C)C[C@@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)CO1 ZINC000871981172 654299578 /nfs/dbraw/zinc/29/95/78/654299578.db2.gz XZGAJQAMVMQJEL-ZCFIWIBFSA-N -2 3 384.273 2.055 20 0 GEADHL C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000872000020 654306928 /nfs/dbraw/zinc/30/69/28/654306928.db2.gz FRQGNJILBFYWMW-CLIVKXMMSA-N -2 3 398.300 2.299 20 0 GEADHL Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@H](C(=O)[O-])[C@H]3C[C@H]32)sc1Br ZINC000926603877 654577445 /nfs/dbraw/zinc/57/74/45/654577445.db2.gz KJGKGDJZHNHWCZ-UYXSQOIJSA-N -2 3 380.285 2.207 20 0 GEADHL O=C([O-])[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Br)[C@H]2C[C@H]21 ZINC000926604811 654577700 /nfs/dbraw/zinc/57/77/00/654577700.db2.gz RPBZHQHSWQCKTF-UVMAFCGOSA-N -2 3 394.674 2.490 20 0 GEADHL O=C([O-])[C@@H](CC(F)(F)F)NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000909159564 654654372 /nfs/dbraw/zinc/65/43/72/654654372.db2.gz NSZVLJPPTJDRGZ-MRVPVSSYSA-N -2 3 385.136 2.360 20 0 GEADHL O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc([O-])c(Cl)c1 ZINC000162690256 531847002 /nfs/dbraw/zinc/84/70/02/531847002.db2.gz AMYABKFQQLGJEB-UHFFFAOYSA-N -2 3 395.289 2.469 20 0 GEADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-]C1(C(=O)[O-])CCC1 ZINC000164920435 531869756 /nfs/dbraw/zinc/86/97/56/531869756.db2.gz LPMODTLHVODQOY-UHFFFAOYSA-N -2 3 378.244 2.133 20 0 GEADHL CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1Cl ZINC000068216180 531901024 /nfs/dbraw/zinc/90/10/24/531901024.db2.gz MROAASVWNJZFID-UHFFFAOYSA-N -2 3 380.809 2.423 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]Cc2cccc(Cl)c2)c(F)c1 ZINC000115845712 531959421 /nfs/dbraw/zinc/95/94/21/531959421.db2.gz ZIDBPBWFVFJOSL-UHFFFAOYSA-N -2 3 392.861 2.329 20 0 GEADHL C[N-]S(=O)(=O)c1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])s1 ZINC000180351698 532268667 /nfs/dbraw/zinc/26/86/67/532268667.db2.gz FSCWITZNNRNAKV-UHFFFAOYSA-N -2 3 394.396 2.311 20 0 GEADHL CC[N-]S(=O)(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1cc(C)oc1C ZINC000137260793 532289467 /nfs/dbraw/zinc/28/94/67/532289467.db2.gz YCXGQZJCGUHNSD-UHFFFAOYSA-N -2 3 376.431 2.135 20 0 GEADHL C[N-]S(=O)(=O)c1cc(C(=O)[N-]c2nc(-c3cccs3)ns2)c(C)o1 ZINC000182126699 532309500 /nfs/dbraw/zinc/30/95/00/532309500.db2.gz OVRQGXFHYHCWBC-UHFFFAOYSA-N -2 3 384.464 2.328 20 0 GEADHL C[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)N1CCC(C)CC1 ZINC000184966290 532336357 /nfs/dbraw/zinc/33/63/57/532336357.db2.gz HLMWBLFVPCSTTR-LLVKDONJSA-N -2 3 376.425 2.062 20 0 GEADHL COCCOc1ccc(F)cc1S(=O)(=O)[N-][C@@](C)(CC(=O)[O-])C(C)C ZINC000516058549 532378130 /nfs/dbraw/zinc/37/81/30/532378130.db2.gz GHHQIEPPEDHVFH-INIZCTEOSA-N -2 3 377.434 2.019 20 0 GEADHL O=C(Cc1ccc(Br)cc1[O-])N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425300975 532382997 /nfs/dbraw/zinc/38/29/97/532382997.db2.gz LTHVSYHBUMVRFR-JTQLQIEISA-N -2 3 382.214 2.192 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cccc(C)c2O)cc1F ZINC000677957353 532388709 /nfs/dbraw/zinc/38/87/09/532388709.db2.gz MTPLTHQCGNWUNL-UHFFFAOYSA-N -2 3 388.442 2.402 20 0 GEADHL C[C@@H]([C@@H]([N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2)C(=O)[O-])C1CC1 ZINC000516982389 532401142 /nfs/dbraw/zinc/40/11/42/532401142.db2.gz YUQAXCXLLOWXBR-ANRSDYALSA-N -2 3 386.857 2.002 20 0 GEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cc(Cl)c(OC)cc2OC)c[n-]1 ZINC000591260776 532404920 /nfs/dbraw/zinc/40/49/20/532404920.db2.gz FATFGOLQAODGJP-UHFFFAOYSA-N -2 3 389.817 2.058 20 0 GEADHL Cc1cc(CS(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)on1 ZINC000681568430 532430604 /nfs/dbraw/zinc/43/06/04/532430604.db2.gz NFLCTFRQIOJGPF-LBPRGKRZSA-N -2 3 378.328 2.247 20 0 GEADHL CCC[C@H](CCCC[N-]S(=O)(=O)c1ccc(CC(=O)OC)s1)C(=O)[O-] ZINC000281818693 532436015 /nfs/dbraw/zinc/43/60/15/532436015.db2.gz QWLQYRHBRYGPSD-GFCCVEGCSA-N -2 3 391.511 2.413 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CCC2=CCCCC2)c(F)c1 ZINC000518640078 532445651 /nfs/dbraw/zinc/44/56/51/532445651.db2.gz MRZUBQFCNPUKBN-UHFFFAOYSA-N -2 3 376.475 2.366 20 0 GEADHL CO[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)CC(=O)[O-] ZINC000650418400 532444350 /nfs/dbraw/zinc/44/43/50/532444350.db2.gz GPLREHCOCQJNTI-MRVPVSSYSA-N -2 3 391.751 2.007 20 0 GEADHL CC(C)(C)C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000651806892 532496255 /nfs/dbraw/zinc/49/62/55/532496255.db2.gz BOVJQWHADXXZLV-GXFFZTMASA-N -2 3 378.491 2.300 20 0 GEADHL COC1(C[C@@H]([N-]S(=O)(=O)c2cscc2Br)C(=O)[O-])CCC1 ZINC000630421932 532518796 /nfs/dbraw/zinc/51/87/96/532518796.db2.gz WDBIGTCXMRZICC-SECBINFHSA-N -2 3 398.300 2.201 20 0 GEADHL CO[C@@H](C[C@@H]([N-]S(=O)(=O)c1cscc1Br)C(=O)[O-])C1CC1 ZINC000630421227 532518105 /nfs/dbraw/zinc/51/81/05/532518105.db2.gz NJWLCLNPINVVRB-ZJUUUORDSA-N -2 3 398.300 2.057 20 0 GEADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1CCO[C@H]1c1ccccc1 ZINC000564917275 532536983 /nfs/dbraw/zinc/53/69/83/532536983.db2.gz OIGOHDZGJPBMQA-RISCZKNCSA-N -2 3 383.447 2.263 20 0 GEADHL Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1ccccc1Br)C(=O)[O-] ZINC000526060679 532537825 /nfs/dbraw/zinc/53/78/25/532537825.db2.gz MPTYUHVJDPDBJM-SNVBAGLBSA-N -2 3 391.268 2.318 20 0 GEADHL COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@](C)(C(=O)[O-])C1CC1 ZINC000564922086 532538544 /nfs/dbraw/zinc/53/85/44/532538544.db2.gz HRBVBPDXIKSTSV-INIZCTEOSA-N -2 3 391.873 2.287 20 0 GEADHL COC(=O)Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@@H](CCC(=O)[O-])C2(C)C)s1 ZINC000594848475 532533969 /nfs/dbraw/zinc/53/39/69/532533969.db2.gz LPVHTROYZRCLTC-PWSUYJOCSA-N -2 3 389.495 2.021 20 0 GEADHL COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H]1C[C@@H](CCC(=O)[O-])C1(C)C ZINC000594848412 532534427 /nfs/dbraw/zinc/53/44/27/532534427.db2.gz JHQHNDWRXKDYEI-MNOVXSKESA-N -2 3 389.495 2.401 20 0 GEADHL COc1cc(F)c(Br)cc1S(=O)(=O)[N-][C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000565232310 532553358 /nfs/dbraw/zinc/55/33/58/532553358.db2.gz CLJSCOVHTQMSQR-JGVFFNPUSA-N -2 3 396.234 2.128 20 0 GEADHL CC[C@@H](CC[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2)C(=O)[O-] ZINC000654788064 532569519 /nfs/dbraw/zinc/56/95/19/532569519.db2.gz SVMQJEZZSZWBKQ-VIFPVBQESA-N -2 3 392.271 2.163 20 0 GEADHL CCc1ccc(O)c([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)c1 ZINC000433497891 532571731 /nfs/dbraw/zinc/57/17/31/532571731.db2.gz SCNFINSCUHVDCU-UHFFFAOYSA-N -2 3 388.442 2.266 20 0 GEADHL CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2CCC(=O)[O-])s1 ZINC000297251863 532576913 /nfs/dbraw/zinc/57/69/13/532576913.db2.gz QSSOQRGFUBRZLY-TZMCWYRMSA-N -2 3 388.511 2.086 20 0 GEADHL CO[C@H](C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)CC(=O)[O-] ZINC000530435881 532620177 /nfs/dbraw/zinc/62/01/77/532620177.db2.gz VZPUJOVRKZKOMG-NSHDSACASA-N -2 3 390.870 2.232 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-][C@H](C[C@H]2CCCO2)C(F)(F)F)c(C(=O)[O-])c1 ZINC000656180228 532609008 /nfs/dbraw/zinc/60/90/08/532609008.db2.gz FJDMJLRGEADVBC-ZWNOBZJWSA-N -2 3 381.372 2.472 20 0 GEADHL CO[C@@H](CS(=O)(=O)[N-]c1c([O-])ccc(Br)c1C)[C@H]1CCOC1 ZINC000656630885 532627645 /nfs/dbraw/zinc/62/76/45/532627645.db2.gz GLZRROSINBQQNQ-GWCFXTLKSA-N -2 3 394.287 2.256 20 0 GEADHL CCc1ccc(C)nc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000656737614 532630063 /nfs/dbraw/zinc/63/00/63/532630063.db2.gz KBWQUAMQZRAHOV-UHFFFAOYSA-N -2 3 387.458 2.264 20 0 GEADHL CCn1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)nc1C ZINC000567108566 532642048 /nfs/dbraw/zinc/64/20/48/532642048.db2.gz UWJUMRBFRKTPIO-CYBMUJFWSA-N -2 3 389.836 2.498 20 0 GEADHL CC(=O)Nc1nc(C(=O)[N-]c2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)cs1 ZINC000436912187 532645634 /nfs/dbraw/zinc/64/56/34/532645634.db2.gz GSVUEFVRUSGLGL-UHFFFAOYSA-N -2 3 378.801 2.498 20 0 GEADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1CCOC2(CCCC2)C1 ZINC000567730600 532660711 /nfs/dbraw/zinc/66/07/11/532660711.db2.gz KAPVSPLNWABRQF-SNVBAGLBSA-N -2 3 375.468 2.225 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@]23C[C@@H]2CCC3)c(F)c1 ZINC000657050766 532661836 /nfs/dbraw/zinc/66/18/36/532661836.db2.gz UWOMLEGKDQJZDF-NHYWBVRUSA-N -2 3 376.475 2.198 20 0 GEADHL CO[C@@H](CS(=O)(=O)[N-]c1cc(Br)cc(C(=O)[O-])c1)C1CC1 ZINC000567869691 532668584 /nfs/dbraw/zinc/66/85/84/532668584.db2.gz FOEJQPMDYWEADL-LBPRGKRZSA-N -2 3 378.244 2.314 20 0 GEADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1Cl ZINC000535766205 532686964 /nfs/dbraw/zinc/68/69/64/532686964.db2.gz XGHMUYVWWUDELK-UHFFFAOYSA-N -3 3 375.761 2.449 20 0 GEADHL C[N-]S(=O)(=O)c1cc(C(=O)[N-]c2nc(Sc3ccccc3)ns2)co1 ZINC000535175283 532677041 /nfs/dbraw/zinc/67/70/41/532677041.db2.gz VXWSGZXBNSUCMY-UHFFFAOYSA-N -2 3 396.475 2.443 20 0 GEADHL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F ZINC000569270002 532693217 /nfs/dbraw/zinc/69/32/17/532693217.db2.gz KKWVZYTUUBVQGI-LLVKDONJSA-N -2 3 385.408 2.402 20 0 GEADHL Cn1cc([C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)C(=O)[O-])cn1 ZINC000569717640 532705729 /nfs/dbraw/zinc/70/57/29/532705729.db2.gz UIWCMBWZUPFTIL-LLVKDONJSA-N -2 3 397.762 2.197 20 0 GEADHL COc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCC[C@]2(C)C(=O)[O-])cc1OC ZINC000392686149 532708439 /nfs/dbraw/zinc/70/84/39/532708439.db2.gz NYOWVCTXMVRXTN-ZBFHGGJFSA-N -2 3 375.418 2.155 20 0 GEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@@H](C)c1cnn(C)c1C ZINC000392728971 532708966 /nfs/dbraw/zinc/70/89/66/532708966.db2.gz UTVUBTKRGNFGFU-QMMMGPOBSA-N -2 3 387.845 2.128 20 0 GEADHL CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F)C(=O)OC ZINC000573248827 532710096 /nfs/dbraw/zinc/71/00/96/532710096.db2.gz JXKHOKKEOHWPJL-CABZTGNLSA-N -2 3 375.418 2.088 20 0 GEADHL COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCC[C@H]1C(=O)[O-] ZINC000646045289 532721032 /nfs/dbraw/zinc/72/10/32/532721032.db2.gz DFVVXFXNQJIGBH-UHTWSYAYSA-N -2 3 391.873 2.285 20 0 GEADHL COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000581357149 532754459 /nfs/dbraw/zinc/75/44/59/532754459.db2.gz DXVCZWYIZBNSLC-VXGBXAGGSA-N -2 3 381.431 2.126 20 0 GEADHL COc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2CC(=O)[O-])cc1OC ZINC000309743757 532777852 /nfs/dbraw/zinc/77/78/52/532777852.db2.gz WWKNPVXJGBUUOG-ZYHUDNBSSA-N -2 3 375.418 2.155 20 0 GEADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-]CC1(C(=O)[O-])CCC1 ZINC000316781045 532784110 /nfs/dbraw/zinc/78/41/10/532784110.db2.gz YQGRWDQGUUAKOQ-UHFFFAOYSA-N -2 3 392.271 2.381 20 0 GEADHL CCc1nc(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)ccc1C(=O)[O-] ZINC000547566806 532786789 /nfs/dbraw/zinc/78/67/89/532786789.db2.gz YXLFONJOXSLFTP-UHFFFAOYSA-N -2 3 379.825 2.346 20 0 GEADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](Cc1c(F)cccc1Cl)C(=O)[O-] ZINC000547613241 532787350 /nfs/dbraw/zinc/78/73/50/532787350.db2.gz OLVFTIQAHDJQGD-LBPRGKRZSA-N -2 3 376.793 2.058 20 0 GEADHL O=C([O-])[C@@H](Cc1c[nH]cn1)[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000548206671 532789025 /nfs/dbraw/zinc/78/90/25/532789025.db2.gz BKJABWXCKUWODN-CQSZACIVSA-N -2 3 379.825 2.191 20 0 GEADHL CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)cn1C ZINC000548223753 532789585 /nfs/dbraw/zinc/78/95/85/532789585.db2.gz JAYJNHWDPNTUHK-UHFFFAOYSA-N -2 3 386.813 2.354 20 0 GEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]CCCOCC(C)C ZINC000326128744 532790170 /nfs/dbraw/zinc/79/01/70/532790170.db2.gz NBNSEPIAJWNEBN-UHFFFAOYSA-N -2 3 379.862 2.388 20 0 GEADHL N#Cc1ccc(S(=O)(=O)[N-][C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])s1 ZINC000327778106 532792623 /nfs/dbraw/zinc/79/26/23/532792623.db2.gz WMXFVPVKQQLSAA-CQSZACIVSA-N -2 3 375.431 2.075 20 0 GEADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)c1F ZINC000327880425 532792984 /nfs/dbraw/zinc/79/29/84/532792984.db2.gz ZJNFHODRLOIPFP-UHFFFAOYSA-N -2 3 384.772 2.473 20 0 GEADHL COc1cc(F)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])CC(C)(C)C)cc1OC ZINC000328329681 532793783 /nfs/dbraw/zinc/79/37/83/532793783.db2.gz SHAFNWALLWCRSG-SNVBAGLBSA-N -2 3 377.434 2.401 20 0 GEADHL O=C([O-])[C@@H](O)[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000549549281 532794925 /nfs/dbraw/zinc/79/49/25/532794925.db2.gz OPNZOCNONBMXLG-HIFRSBDPSA-N -2 3 377.409 2.028 20 0 GEADHL CC1(C)CC[C@@]([N-]S(=O)(=O)c2cncc(Br)c2)(C(=O)[O-])C1 ZINC000551916015 532802704 /nfs/dbraw/zinc/80/27/04/532802704.db2.gz OLLDOGOEKUTGKZ-ZDUSSCGKSA-N -2 3 377.260 2.156 20 0 GEADHL CCOC(=O)[C@@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000273703816 532831356 /nfs/dbraw/zinc/83/13/56/532831356.db2.gz OBQQQJWGTJWOTQ-ZETCQYMHSA-N -2 3 384.237 2.169 20 0 GEADHL COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](C)CC(=O)[O-] ZINC000274918576 532859639 /nfs/dbraw/zinc/85/96/39/532859639.db2.gz AJOBJCMBCGYOKT-LLVKDONJSA-N -2 3 379.862 2.144 20 0 GEADHL CSCC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC000274944261 532860190 /nfs/dbraw/zinc/86/01/90/532860190.db2.gz RORSFOYVJGMJMF-SECBINFHSA-N -2 3 375.365 2.329 20 0 GEADHL COc1ccc(S(=O)(=O)[N-][C@@H](CCSC)C(=O)[O-])c(Cl)c1Cl ZINC000274946684 532860260 /nfs/dbraw/zinc/86/02/60/532860260.db2.gz RUULDJFSWWEKOI-ZETCQYMHSA-N -2 3 388.294 2.487 20 0 GEADHL CSCC[C@H]([N-]S(=O)(=O)c1sc(C)cc1Br)C(=O)[O-] ZINC000274979215 532860750 /nfs/dbraw/zinc/86/07/50/532860750.db2.gz XMHQIGJJHZTMLQ-QMMMGPOBSA-N -2 3 388.330 2.304 20 0 GEADHL C[C@H](CCC[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2)C(=O)[O-] ZINC000274971623 532860902 /nfs/dbraw/zinc/86/09/02/532860902.db2.gz KLWIJQXLGHLTLL-SECBINFHSA-N -2 3 392.271 2.163 20 0 GEADHL C[C@@H](CC[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2)CC(=O)[O-] ZINC000275087232 532864152 /nfs/dbraw/zinc/86/41/52/532864152.db2.gz ZWSBQFGZXAUWAL-VIFPVBQESA-N -2 3 392.271 2.163 20 0 GEADHL COC(=O)Cc1ccc(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])s1 ZINC000275248776 532869840 /nfs/dbraw/zinc/86/98/40/532869840.db2.gz LAPCPQHKZQDJNJ-UHFFFAOYSA-N -2 3 377.484 2.167 20 0 GEADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccc(Cl)c(C)c1 ZINC000275291992 532871691 /nfs/dbraw/zinc/87/16/91/532871691.db2.gz POJBHMOGNUVWNO-NSHDSACASA-N -2 3 392.264 2.448 20 0 GEADHL O=C([O-])[C@H](CC(F)F)[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000275300226 532872252 /nfs/dbraw/zinc/87/22/52/532872252.db2.gz QITOIUSSPWATAJ-QMMMGPOBSA-N -2 3 392.605 2.489 20 0 GEADHL CCc1nnc(C[N-]S(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)s1 ZINC000290627342 532885451 /nfs/dbraw/zinc/88/54/51/532885451.db2.gz KYAZEVZJQIFCQR-UHFFFAOYSA-N -2 3 375.859 2.239 20 0 GEADHL CSc1nc([N-]S(=O)(=O)CCc2ccccc2Br)n[n-]1 ZINC000292008578 532911734 /nfs/dbraw/zinc/91/17/34/532911734.db2.gz VTLTWSUNKZFWCV-UHFFFAOYSA-N -2 3 377.289 2.274 20 0 GEADHL O=C([O-])C1([N-]S(=O)(=O)c2cc(Cl)ccc2Br)CCOCC1 ZINC000367243496 532923839 /nfs/dbraw/zinc/92/38/39/532923839.db2.gz KRADZZGGONIOID-UHFFFAOYSA-N -2 3 398.662 2.015 20 0 GEADHL CS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1[O-] ZINC000549719707 569966412 /nfs/dbraw/zinc/96/64/12/569966412.db2.gz CNUPJOMDTTXVJD-UHFFFAOYSA-N -3 3 376.843 2.218 20 0 GEADHL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000737099822 598841697 /nfs/dbraw/zinc/84/16/97/598841697.db2.gz OXTANXBCTFPWBL-UHFFFAOYSA-N -2 3 383.792 2.469 20 0 GEADHL COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000737099822 598841698 /nfs/dbraw/zinc/84/16/98/598841698.db2.gz OXTANXBCTFPWBL-UHFFFAOYSA-N -2 3 383.792 2.469 20 0 GEADHL O=C([N-]S(=O)(=O)CC1CC1)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000738140924 598857599 /nfs/dbraw/zinc/85/75/99/598857599.db2.gz ZRWPTIUNJPGEBJ-UHFFFAOYSA-N -2 3 383.433 2.003 20 0 GEADHL O=C([N-]S(=O)(=O)CC1CC1)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000738140924 598857601 /nfs/dbraw/zinc/85/76/01/598857601.db2.gz ZRWPTIUNJPGEBJ-UHFFFAOYSA-N -2 3 383.433 2.003 20 0 GEADHL O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)ccc1F ZINC000738213845 598867575 /nfs/dbraw/zinc/86/75/75/598867575.db2.gz ILOUUYVIIVFXIB-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)ccc1F ZINC000738213845 598867577 /nfs/dbraw/zinc/86/75/77/598867577.db2.gz ILOUUYVIIVFXIB-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)n(-c2ccccc2)n1 ZINC000737279499 598968682 /nfs/dbraw/zinc/96/86/82/598968682.db2.gz DRCYKBOCCMPZCP-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)n(-c2ccccc2)n1 ZINC000737279499 598968683 /nfs/dbraw/zinc/96/86/83/598968683.db2.gz DRCYKBOCCMPZCP-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cccnc1N1CCCCC1 ZINC000737301120 598968735 /nfs/dbraw/zinc/96/87/35/598968735.db2.gz HVCUUYNNHCYHCQ-UHFFFAOYSA-N -2 3 399.480 2.361 20 0 GEADHL CSc1ccc(C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000737193673 598975504 /nfs/dbraw/zinc/97/55/04/598975504.db2.gz VEXJQQLVQQXDJE-UHFFFAOYSA-N -2 3 389.462 2.016 20 0 GEADHL CSc1ccc(C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000737193673 598975505 /nfs/dbraw/zinc/97/55/05/598975505.db2.gz VEXJQQLVQQXDJE-UHFFFAOYSA-N -2 3 389.462 2.016 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CCC1CCCCC1 ZINC000737299473 598976130 /nfs/dbraw/zinc/97/61/30/598976130.db2.gz PVWYZRCPNLHSCZ-UHFFFAOYSA-N -2 3 377.470 2.341 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CCC1CCCCC1 ZINC000737299473 598976132 /nfs/dbraw/zinc/97/61/32/598976132.db2.gz PVWYZRCPNLHSCZ-UHFFFAOYSA-N -2 3 377.470 2.341 20 0 GEADHL CC[C@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736354270 598974135 /nfs/dbraw/zinc/97/41/35/598974135.db2.gz STGZJCGIZHDRKG-OAHLLOKOSA-N -2 3 399.476 2.249 20 0 GEADHL CC[C@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736354270 598974136 /nfs/dbraw/zinc/97/41/36/598974136.db2.gz STGZJCGIZHDRKG-OAHLLOKOSA-N -2 3 399.476 2.249 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C[C@H]1CCCC[C@H]1C ZINC000737298503 598976533 /nfs/dbraw/zinc/97/65/33/598976533.db2.gz LFSLXFMQUROTSF-DGCLKSJQSA-N -2 3 377.470 2.196 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C[C@H]1CCCC[C@H]1C ZINC000737298503 598976535 /nfs/dbraw/zinc/97/65/35/598976535.db2.gz LFSLXFMQUROTSF-DGCLKSJQSA-N -2 3 377.470 2.196 20 0 GEADHL COc1ccc(-c2nc(SCC3(C)COC3)[n-]c(=O)c2-c2nn[n-]n2)cc1 ZINC000737055310 599162083 /nfs/dbraw/zinc/16/20/83/599162083.db2.gz DCPTUNJLDSFPAX-UHFFFAOYSA-N -2 3 386.437 2.167 20 0 GEADHL O=S(=O)([N-]c1ccc(F)cc1OC(F)F)c1ccccc1-c1nnn[n-]1 ZINC000738343291 599237818 /nfs/dbraw/zinc/23/78/18/599237818.db2.gz WKDXRWLSTLZQLZ-UHFFFAOYSA-N -2 3 385.327 2.408 20 0 GEADHL O=S(=O)([N-]c1ccc(F)cc1OC(F)F)c1ccccc1-c1nn[n-]n1 ZINC000738343291 599237820 /nfs/dbraw/zinc/23/78/20/599237820.db2.gz WKDXRWLSTLZQLZ-UHFFFAOYSA-N -2 3 385.327 2.408 20 0 GEADHL O=C([O-])[C@@H]1CCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000821400026 597654383 /nfs/dbraw/zinc/65/43/83/597654383.db2.gz WDEHIPUYQXKNNJ-SJLPKXTDSA-N -2 3 382.416 2.187 20 0 GEADHL CC(=O)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735482965 598360156 /nfs/dbraw/zinc/36/01/56/598360156.db2.gz XOTVFOCPZONSSK-UHFFFAOYSA-N -2 3 392.828 2.279 20 0 GEADHL CC(C)(C)c1ccccc1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000819958038 607357104 /nfs/dbraw/zinc/35/71/04/607357104.db2.gz HDQWAQZWSCEZAK-UHFFFAOYSA-N -2 3 399.476 2.424 20 0 GEADHL CC(C)(C)c1ccccc1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000819958038 607357106 /nfs/dbraw/zinc/35/71/06/607357106.db2.gz HDQWAQZWSCEZAK-UHFFFAOYSA-N -2 3 399.476 2.424 20 0 GEADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cccc(OC)c1 ZINC000736635454 598452123 /nfs/dbraw/zinc/45/21/23/598452123.db2.gz ULZWFXZCFOFUJM-UHFFFAOYSA-N -2 3 375.410 2.075 20 0 GEADHL O=C([O-])c1cc(NS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC000738213888 598629085 /nfs/dbraw/zinc/62/90/85/598629085.db2.gz JPQKJZXWIRILSS-UHFFFAOYSA-N -2 3 393.812 2.160 20 0 GEADHL O=C([O-])c1cc(NS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC000738213888 598629086 /nfs/dbraw/zinc/62/90/86/598629086.db2.gz JPQKJZXWIRILSS-UHFFFAOYSA-N -2 3 393.812 2.160 20 0 GEADHL Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737203986 598675588 /nfs/dbraw/zinc/67/55/88/598675588.db2.gz XBNBEADYRIGAGY-UHFFFAOYSA-N -2 3 397.420 2.491 20 0 GEADHL COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC)c1 ZINC000737097860 598766444 /nfs/dbraw/zinc/76/64/44/598766444.db2.gz OLOUAMQMBIQMHE-UHFFFAOYSA-N -2 3 395.828 2.338 20 0 GEADHL COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000737097013 598766633 /nfs/dbraw/zinc/76/66/33/598766633.db2.gz GZFQLWZNAMLDIU-UHFFFAOYSA-N -2 3 383.792 2.469 20 0 GEADHL COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000737097013 598766635 /nfs/dbraw/zinc/76/66/35/598766635.db2.gz GZFQLWZNAMLDIU-UHFFFAOYSA-N -2 3 383.792 2.469 20 0 GEADHL Cc1noc(C)c1[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000737533816 599561376 /nfs/dbraw/zinc/56/13/76/599561376.db2.gz DXNWJXCCYIUKQI-UHFFFAOYSA-N -2 3 388.331 2.291 20 0 GEADHL O=C(CC/C=C\c1ccccc1)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000737826205 599618090 /nfs/dbraw/zinc/61/80/90/599618090.db2.gz RDPKYIMTWUIRPH-WMZJFQQLSA-N -2 3 397.460 2.306 20 0 GEADHL O=C(CC/C=C\c1ccccc1)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000737826205 599618091 /nfs/dbraw/zinc/61/80/91/599618091.db2.gz RDPKYIMTWUIRPH-WMZJFQQLSA-N -2 3 397.460 2.306 20 0 GEADHL CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821048354 599621601 /nfs/dbraw/zinc/62/16/01/599621601.db2.gz BJDXNTSTZSDAST-CYBMUJFWSA-N -2 3 379.486 2.419 20 0 GEADHL CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821048354 599621602 /nfs/dbraw/zinc/62/16/02/599621602.db2.gz BJDXNTSTZSDAST-CYBMUJFWSA-N -2 3 379.486 2.419 20 0 GEADHL Cc1nc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1Br ZINC000822453662 599691616 /nfs/dbraw/zinc/69/16/16/599691616.db2.gz NHJKUGJONBFVAQ-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL Cc1nc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1Br ZINC000822453662 599691617 /nfs/dbraw/zinc/69/16/17/599691617.db2.gz NHJKUGJONBFVAQ-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL Cc1ccc(-n2[n-]c(C(=O)Nc3ccc(F)c(-c4nnn[n-]4)c3)cc2=O)cc1 ZINC000822223729 599700200 /nfs/dbraw/zinc/70/02/00/599700200.db2.gz ILLPLUJTCOLKTL-UHFFFAOYSA-N -2 3 379.355 2.046 20 0 GEADHL Cc1ccc(-n2[n-]c(C(=O)Nc3ccc(F)c(-c4nn[n-]n4)c3)cc2=O)cc1 ZINC000822223729 599700201 /nfs/dbraw/zinc/70/02/01/599700201.db2.gz ILLPLUJTCOLKTL-UHFFFAOYSA-N -2 3 379.355 2.046 20 0 GEADHL O=C([O-])[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000738519828 599721650 /nfs/dbraw/zinc/72/16/50/599721650.db2.gz FHMUODQBTIOAGC-JTQLQIEISA-N -2 3 375.233 2.363 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(OCc3ccccn3)cc2)o1 ZINC000740176468 599772500 /nfs/dbraw/zinc/77/25/00/599772500.db2.gz GQJXHFSUVLSCJK-UHFFFAOYSA-N -2 3 388.401 2.430 20 0 GEADHL Cc1ccc(C(=O)NCCC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)c([O-])c1 ZINC000738260252 599800522 /nfs/dbraw/zinc/80/05/22/599800522.db2.gz LLKFGBDQRHMIRD-INIZCTEOSA-N -2 3 388.395 2.292 20 0 GEADHL COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])cc2)c1C ZINC000737714667 599906640 /nfs/dbraw/zinc/90/66/40/599906640.db2.gz VBVMMCJRGKRJSH-UHFFFAOYSA-N -2 3 379.390 2.046 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc[nH]c2=O)c(Br)cc1F ZINC000740089239 599924502 /nfs/dbraw/zinc/92/45/02/599924502.db2.gz BQDSUSQIXFKDKS-UHFFFAOYSA-N -2 3 391.174 2.188 20 0 GEADHL Cc1ccc(C(=O)[O-])cc1NC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000738534185 599958298 /nfs/dbraw/zinc/95/82/98/599958298.db2.gz WUBGDNTXSWBVDT-UHFFFAOYSA-N -2 3 383.404 2.389 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCc2nc(-c3ccc(Cl)cc3)no2)o1 ZINC000740176714 600084774 /nfs/dbraw/zinc/08/47/74/600084774.db2.gz RTTHLHHAACVEEF-UHFFFAOYSA-N -2 3 397.796 2.202 20 0 GEADHL CC[C@@]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1)(C(=O)OC)c1ccccc1 ZINC000736919975 600135317 /nfs/dbraw/zinc/13/53/17/600135317.db2.gz FOTJIKMWYJXMNC-SFHVURJKSA-N -2 3 377.418 2.142 20 0 GEADHL COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2nnc3ccccc3c2[O-])cc1OC ZINC000737957647 600166321 /nfs/dbraw/zinc/16/63/21/600166321.db2.gz RFGWZQFFRDVLFJ-CQSZACIVSA-N -2 3 397.387 2.298 20 0 GEADHL O=C([O-])CCCc1nc(COC(=O)c2cccc(Br)c2[O-])no1 ZINC000739702148 600192777 /nfs/dbraw/zinc/19/27/77/600192777.db2.gz KIQNKFYHJJCFPD-UHFFFAOYSA-N -2 3 385.170 2.302 20 0 GEADHL CC[C@]([N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)(C(=O)OC)c1ccccc1 ZINC000736920171 600232916 /nfs/dbraw/zinc/23/29/16/600232916.db2.gz JBTYRXAZTBLPAU-LJQANCHMSA-N -2 3 391.445 2.283 20 0 GEADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)c(F)c1 ZINC000485273757 600236016 /nfs/dbraw/zinc/23/60/16/600236016.db2.gz PGKRCSOFZVOXJK-UHFFFAOYSA-N -2 3 378.381 2.217 20 0 GEADHL Cc1cc(NC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c(C(=O)[O-])[nH]1 ZINC000738431570 600256887 /nfs/dbraw/zinc/25/68/87/600256887.db2.gz DEDHUTFHOQFHJT-UHFFFAOYSA-N -2 3 395.437 2.189 20 0 GEADHL O=C([O-])c1cc(Cl)cc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)c1 ZINC000739420566 600282785 /nfs/dbraw/zinc/28/27/85/600282785.db2.gz WMZIITVDUUOPOJ-UHFFFAOYSA-N -2 3 377.784 2.295 20 0 GEADHL CC(C)(CCC(=O)[O-])NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000485588438 600418097 /nfs/dbraw/zinc/41/80/97/600418097.db2.gz FUEIKHWMTKPDPR-UHFFFAOYSA-N -2 3 397.428 2.328 20 0 GEADHL Cc1cn2cc([N-]S(=O)(=O)c3ccc(OCCC(=O)[O-])cc3)ccc2n1 ZINC000738799472 600513193 /nfs/dbraw/zinc/51/31/93/600513193.db2.gz XRFALOPQGZFCRA-UHFFFAOYSA-N -2 3 375.406 2.297 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CS3)cc1C(=O)[O-] ZINC000515693440 600541352 /nfs/dbraw/zinc/54/13/52/600541352.db2.gz VIRCEBGSLKNYPG-UHFFFAOYSA-N -2 3 394.430 2.238 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)cc1C(=O)[O-] ZINC000042122923 600541364 /nfs/dbraw/zinc/54/13/64/600541364.db2.gz GYSLUFANUAJUTQ-UHFFFAOYSA-N -2 3 390.417 2.321 20 0 GEADHL COC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)c1 ZINC000048382628 600542459 /nfs/dbraw/zinc/54/24/59/600542459.db2.gz DMDCDEAZQGFRTF-UHFFFAOYSA-N -2 3 380.378 2.373 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2C)cc1C(=O)[O-] ZINC000614782000 600543352 /nfs/dbraw/zinc/54/33/52/600543352.db2.gz QVFDFSHUTBGPIU-UHFFFAOYSA-N -2 3 378.406 2.461 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2c(C)cc(F)cc2C(=O)[O-])cc1C(=O)[O-] ZINC000063878894 600543702 /nfs/dbraw/zinc/54/37/02/600543702.db2.gz RFEJMGADEJWZLA-UHFFFAOYSA-N -3 3 383.353 2.340 20 0 GEADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2-n2cccn2)cc1 ZINC000739886371 600629735 /nfs/dbraw/zinc/62/97/35/600629735.db2.gz GITYNBGOCUMJRJ-UHFFFAOYSA-N -2 3 375.381 2.439 20 0 GEADHL CS(=O)(=O)[N-]c1cc(C(=O)O[C@H](C(=O)[O-])c2ccccc2F)ccc1F ZINC000832699515 600655826 /nfs/dbraw/zinc/65/58/26/600655826.db2.gz JGWROJJNCJGYSM-AWEZNQCLSA-N -2 3 385.344 2.319 20 0 GEADHL Cc1cnc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)s1 ZINC000235921254 600776893 /nfs/dbraw/zinc/77/68/93/600776893.db2.gz CUAKJQBJKSORDA-UHFFFAOYSA-N -2 3 391.268 2.391 20 0 GEADHL CO[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F)C(C)C ZINC000831520592 600791366 /nfs/dbraw/zinc/79/13/66/600791366.db2.gz YHRUAQUJXPMGKL-NSHDSACASA-N -2 3 398.250 2.236 20 0 GEADHL COCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000028252105 600810380 /nfs/dbraw/zinc/81/03/80/600810380.db2.gz NZPYXYFOFJVUOQ-UHFFFAOYSA-N -2 3 378.406 2.079 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)ccc1C(=O)[O-] ZINC000506622555 600894234 /nfs/dbraw/zinc/89/42/34/600894234.db2.gz DSEQSEDCEKZNBH-UHFFFAOYSA-N -3 3 379.390 2.348 20 0 GEADHL C[C@H]1CCc2c(sc(NC(=O)Cn3cc(Cl)c(=O)[n-]c3=O)c2C(=O)[O-])C1 ZINC000828311431 600900726 /nfs/dbraw/zinc/90/07/26/600900726.db2.gz XSDJWXNSZNSUOP-ZETCQYMHSA-N -2 3 397.840 2.126 20 0 GEADHL CCC(CC)(NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(=O)[O-] ZINC000828842060 600925057 /nfs/dbraw/zinc/92/50/57/600925057.db2.gz OHESVULLSKWFCM-UHFFFAOYSA-N -2 3 388.461 2.276 20 0 GEADHL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[N-][C@@H](C(C)(C)C)C(F)(F)F)c1 ZINC000831243163 600989080 /nfs/dbraw/zinc/98/90/80/600989080.db2.gz VLCJDHPKLQIMGN-ZDUSSCGKSA-N -2 3 397.371 2.427 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2ccccc2-n2ccnc2)c1F ZINC000833294272 600994862 /nfs/dbraw/zinc/99/48/62/600994862.db2.gz POIZTFWPJISKTN-UHFFFAOYSA-N -2 3 393.371 2.327 20 0 GEADHL Cc1ccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1C(=O)[O-] ZINC000832946770 601142641 /nfs/dbraw/zinc/14/26/41/601142641.db2.gz PBIAAVTXHNKWTF-UHFFFAOYSA-N -2 3 383.404 2.389 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@H](c2nccn2C)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000833028764 601215522 /nfs/dbraw/zinc/21/55/22/601215522.db2.gz QSUBFNLHCACHGA-HNNXBMFYSA-N -2 3 393.396 2.227 20 0 GEADHL Cc1oc(S(=O)(=O)[N-]Cc2ccccc2Cn2ccnc2)cc1C(=O)[O-] ZINC000833026998 601216433 /nfs/dbraw/zinc/21/64/33/601216433.db2.gz MSVQZBKVYGFUCY-UHFFFAOYSA-N -2 3 375.406 2.010 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1C(=O)[O-] ZINC000576036561 601217533 /nfs/dbraw/zinc/21/75/33/601217533.db2.gz XEIBBUJGORVAII-KRWDZBQOSA-N -2 3 393.417 2.487 20 0 GEADHL Cc1oc(S(=O)(=O)[N-]Cc2cc(N(C)C)nc3ccccc23)cc1C(=O)[O-] ZINC000833027411 601224230 /nfs/dbraw/zinc/22/42/30/601224230.db2.gz SPFZKGBZYOTFLH-UHFFFAOYSA-N -2 3 389.433 2.379 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H](C)C(=O)[O-])oc1C ZINC000275078353 601224565 /nfs/dbraw/zinc/22/45/65/601224565.db2.gz YEURXYQCCYPTIY-BMIGLBTASA-N -2 3 381.406 2.115 20 0 GEADHL CN(CC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)Cc1ccccc1 ZINC000386908648 601232418 /nfs/dbraw/zinc/23/24/18/601232418.db2.gz PSESJHRUTGSOCP-UHFFFAOYSA-N -2 3 384.404 2.073 20 0 GEADHL CCc1cccc(NC(=O)C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)c1 ZINC000830265828 601233861 /nfs/dbraw/zinc/23/38/61/601233861.db2.gz STXOUDRZOZPFDJ-UHFFFAOYSA-N -2 3 398.387 2.142 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCc2cccc(F)c2F)c1F ZINC000833294903 601236392 /nfs/dbraw/zinc/23/63/92/601236392.db2.gz ZBGUYCSKTTVCKN-UHFFFAOYSA-N -2 3 377.315 2.462 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@H]2OCCc3ccccc32)c1F ZINC000833293939 601236406 /nfs/dbraw/zinc/23/64/06/601236406.db2.gz JJYBQWRDLQFKRY-CYBMUJFWSA-N -2 3 383.372 2.255 20 0 GEADHL CCc1nc(C2([N-]S(=O)(=O)c3ccc(OC)c(C(=O)[O-])c3)CCCC2)no1 ZINC000645961913 601265072 /nfs/dbraw/zinc/26/50/72/601265072.db2.gz OBXXDPISJLNODE-UHFFFAOYSA-N -2 3 395.437 2.087 20 0 GEADHL Cc1cc(C)[nH]c(=N[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)n1 ZINC000832880629 601317291 /nfs/dbraw/zinc/31/72/91/601317291.db2.gz RSGVVMLUSJHOAR-UHFFFAOYSA-N -2 3 391.236 2.404 20 0 GEADHL COC(=O)CCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000064479395 601326552 /nfs/dbraw/zinc/32/65/52/601326552.db2.gz TUIICBHLJQYTTD-UHFFFAOYSA-N -2 3 397.380 2.267 20 0 GEADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000833013519 601387978 /nfs/dbraw/zinc/38/79/78/601387978.db2.gz AEZUOCFSTJFFOC-JTQLQIEISA-N -2 3 378.237 2.140 20 0 GEADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-]C1(CC(=O)[O-])CCC1 ZINC000831852377 601445088 /nfs/dbraw/zinc/44/50/88/601445088.db2.gz XNCHBKMQBDUZCC-UHFFFAOYSA-N -2 3 396.234 2.273 20 0 GEADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)ccc1F ZINC000831029344 601624983 /nfs/dbraw/zinc/62/49/83/601624983.db2.gz PDFWBBFESLULLM-UHFFFAOYSA-N -2 3 386.788 2.338 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)c(Cl)cc1F ZINC000362958395 601839657 /nfs/dbraw/zinc/83/96/57/601839657.db2.gz QUQJGVNEBWRGPL-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC000832867945 601858070 /nfs/dbraw/zinc/85/80/70/601858070.db2.gz GYIFQQKRAFYWBZ-UHFFFAOYSA-N -3 3 375.362 2.069 20 0 GEADHL CCn1ncc2ccc([N-]S(=O)(=O)c3cccc(C)c3-c3nn[n-]n3)cc21 ZINC000825806946 607534015 /nfs/dbraw/zinc/53/40/15/607534015.db2.gz KSSGMILSAYGMBC-UHFFFAOYSA-N -2 3 383.437 2.346 20 0 GEADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCc2cccc(C(=O)[O-])c2)ccc1F ZINC000767097964 601923526 /nfs/dbraw/zinc/92/35/26/601923526.db2.gz AFKHSLJRCQMILM-UHFFFAOYSA-N -2 3 394.424 2.141 20 0 GEADHL O=C([O-])c1ccc(COC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)s1 ZINC000833353761 602003131 /nfs/dbraw/zinc/00/31/31/602003131.db2.gz ZEUSYNZBHHAYEH-UHFFFAOYSA-N -2 3 399.421 2.383 20 0 GEADHL Cc1nc(C)c(CCC(=O)N(C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)c(=O)[n-]1 ZINC000832995455 602009591 /nfs/dbraw/zinc/00/95/91/602009591.db2.gz ZVXXVHQOUFGLPG-MRXNPFEDSA-N -2 3 397.353 2.433 20 0 GEADHL COc1cccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)c1 ZINC000315052046 602140228 /nfs/dbraw/zinc/14/02/28/602140228.db2.gz PMQFELBZNSPVIT-UHFFFAOYSA-N -2 3 390.211 2.227 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc32)c(Br)o1 ZINC000315673194 602146750 /nfs/dbraw/zinc/14/67/50/602146750.db2.gz ZCRJOHJAKOPSJD-VIFPVBQESA-N -2 3 386.223 2.359 20 0 GEADHL CO[C@]1(C)C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)C1(C)C ZINC000761317559 602160584 /nfs/dbraw/zinc/16/05/84/602160584.db2.gz FERAZHQNDZSKPT-NOZJJQNGSA-N -2 3 396.259 2.222 20 0 GEADHL C[C@@H]([N-]S(=O)(=O)c1csc(-c2cccc(Br)c2)n1)C(=O)[O-] ZINC000484769700 602174316 /nfs/dbraw/zinc/17/43/16/602174316.db2.gz PCAOTSMIIHHBBR-SSDOTTSWSA-N -2 3 391.268 2.324 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)C(=O)[O-])c2)cc1 ZINC000485860848 602246133 /nfs/dbraw/zinc/24/61/33/602246133.db2.gz QRFUEBUOOURLQL-CYBMUJFWSA-N -2 3 376.434 2.307 20 0 GEADHL O=C(NC1CCN(c2ccccc2-c2nn[n-]n2)CC1)c1ccc(F)cc1[O-] ZINC000826431652 607563303 /nfs/dbraw/zinc/56/33/03/607563303.db2.gz HHXROVDKWBOLGF-UHFFFAOYSA-N -2 3 382.399 2.110 20 0 GEADHL O=C([O-])N1CC[C@H](CC[N-]S(=O)(=O)c2csc(-c3ccccc3)n2)C1 ZINC000740497973 602539127 /nfs/dbraw/zinc/53/91/27/602539127.db2.gz PIKJDWIFELMDGL-LBPRGKRZSA-N -2 3 381.479 2.478 20 0 GEADHL O=C([O-])N1CCC(n2cccc2C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000740470652 602697293 /nfs/dbraw/zinc/69/72/93/602697293.db2.gz RYQGKRRIRKLPPV-UHFFFAOYSA-N -2 3 381.396 2.235 20 0 GEADHL O=C([O-])N1CCC(n2cccc2C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000740470652 602697294 /nfs/dbraw/zinc/69/72/94/602697294.db2.gz RYQGKRRIRKLPPV-UHFFFAOYSA-N -2 3 381.396 2.235 20 0 GEADHL O=C([O-])Nc1ccc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c([O-])c1 ZINC000740698062 602841461 /nfs/dbraw/zinc/84/14/61/602841461.db2.gz KAQOKBXXSPISGJ-INIZCTEOSA-N -2 3 385.420 2.113 20 0 GEADHL C[C@@H](NC(=O)[O-])c1ccc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)cc1 ZINC000825434921 603382684 /nfs/dbraw/zinc/38/26/84/603382684.db2.gz YSYOTHMSVMDLGN-GFCCVEGCSA-N -2 3 386.408 2.272 20 0 GEADHL CC(=O)Nc1ccc([O-])c(C(=O)N2CCC(N(CC3CC3)C(=O)[O-])CC2)c1 ZINC000823610609 603474057 /nfs/dbraw/zinc/47/40/57/603474057.db2.gz DBGLEXVMMVPUEH-UHFFFAOYSA-N -2 3 375.425 2.345 20 0 GEADHL CCN(Cc1ccccc1NC(=O)C(=O)NCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000827182271 603731645 /nfs/dbraw/zinc/73/16/45/603731645.db2.gz JKNCWUWZSLWBDH-UHFFFAOYSA-N -2 3 389.383 2.286 20 0 GEADHL O=C([O-])N1CCC(C(=O)Nc2cc(I)ccc2[O-])CC1 ZINC000831752238 603733116 /nfs/dbraw/zinc/73/31/16/603733116.db2.gz IEYAMMFTJKPLGF-UHFFFAOYSA-N -2 3 390.177 2.325 20 0 GEADHL CS(=O)(=O)[N-]c1ccccc1NC(=O)C[C@H](Cc1ccccc1)NC(=O)[O-] ZINC000829692286 603945204 /nfs/dbraw/zinc/94/52/04/603945204.db2.gz ZOFPBZZSHDXUJA-AWEZNQCLSA-N -2 3 391.449 2.266 20 0 GEADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])c(C)o1 ZINC000831029511 604381951 /nfs/dbraw/zinc/38/19/51/604381951.db2.gz SQCGYGFJWKUOJX-OAHLLOKOSA-N -2 3 394.449 2.078 20 0 GEADHL Cc1cc(N(C)C)cc(C)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826268653 607695535 /nfs/dbraw/zinc/69/55/35/607695535.db2.gz HNQNBWSUUWRUKR-UHFFFAOYSA-N -2 3 390.444 2.489 20 0 GEADHL Cc1cc(N(C)C)cc(C)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826268653 607695536 /nfs/dbraw/zinc/69/55/36/607695536.db2.gz HNQNBWSUUWRUKR-UHFFFAOYSA-N -2 3 390.444 2.489 20 0 GEADHL Cc1cc(=O)[n-]c(CN2CCN([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)n1 ZINC000832899624 604494511 /nfs/dbraw/zinc/49/45/11/604494511.db2.gz QTJPWHPIEOQLGW-KRWDZBQOSA-N -2 3 376.844 2.088 20 0 GEADHL CC(C)c1nc(C2([N-]S(=O)(=O)c3ccc(C(=O)[O-])nc3)CCCC2)no1 ZINC000645990292 604697413 /nfs/dbraw/zinc/69/74/13/604697413.db2.gz RYGGVSMLKCNQDJ-UHFFFAOYSA-N -2 3 380.426 2.034 20 0 GEADHL CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000833415951 605001655 /nfs/dbraw/zinc/00/16/55/605001655.db2.gz SKXRRSQJTKCJQK-ZBFHGGJFSA-N -2 3 388.464 2.346 20 0 GEADHL CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000833415943 605001667 /nfs/dbraw/zinc/00/16/67/605001667.db2.gz SKXRRSQJTKCJQK-GDBMZVCRSA-N -2 3 388.464 2.346 20 0 GEADHL CCC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl)C(=O)[O-] ZINC000764917320 605012565 /nfs/dbraw/zinc/01/25/65/605012565.db2.gz QCTQBFSXXIFTPY-JTQLQIEISA-N -2 3 384.237 2.312 20 0 GEADHL COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(OC)c([O-])c(OC)c2)cc1 ZINC000833732090 605029203 /nfs/dbraw/zinc/02/92/03/605029203.db2.gz KVAFFQLLEGKGIE-CQSZACIVSA-N -2 3 375.377 2.364 20 0 GEADHL COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(OC)c([O-])c(OC)c2)cc1 ZINC000833732089 605029453 /nfs/dbraw/zinc/02/94/53/605029453.db2.gz KVAFFQLLEGKGIE-AWEZNQCLSA-N -2 3 375.377 2.364 20 0 GEADHL Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](Cc2ccc(O)cc2)C(=O)[O-])cc1F ZINC000833744550 605034109 /nfs/dbraw/zinc/03/41/09/605034109.db2.gz IAFOLMKUGGPBPO-LBPRGKRZSA-N -2 3 385.388 2.201 20 0 GEADHL O=C([O-])N1CCC(CNC(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000831715325 605159523 /nfs/dbraw/zinc/15/95/23/605159523.db2.gz QDIWBDBXLXJAFD-UHFFFAOYSA-N -2 3 386.246 2.344 20 0 GEADHL Cc1ccc([C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)N2CCCC2)cc1 ZINC000833749345 605201151 /nfs/dbraw/zinc/20/11/51/605201151.db2.gz RGMZAJDYWQQVSL-INIZCTEOSA-N -2 3 378.450 2.402 20 0 GEADHL C[C@@H]1C[C@H](CC[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CCO1 ZINC000833597240 605414211 /nfs/dbraw/zinc/41/42/11/605414211.db2.gz QYLYIAZDTDXVIW-RKDXNWHRSA-N -2 3 396.259 2.224 20 0 GEADHL C[C@H]1C[C@@H](CC[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CCO1 ZINC000833597236 605414474 /nfs/dbraw/zinc/41/44/74/605414474.db2.gz QYLYIAZDTDXVIW-IUCAKERBSA-N -2 3 396.259 2.224 20 0 GEADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Br)NC(=O)[O-] ZINC000824121917 605501416 /nfs/dbraw/zinc/50/14/16/605501416.db2.gz BCEVFDCLAATDHZ-SNVBAGLBSA-N -2 3 383.239 2.159 20 0 GEADHL O=C([O-])N[C@@H]1CCC[C@H]1C(=O)Nc1cc(I)ccc1[O-] ZINC000834174762 605540984 /nfs/dbraw/zinc/54/09/84/605540984.db2.gz XSFOOPQXUNNJGM-RKDXNWHRSA-N -2 3 390.177 2.372 20 0 GEADHL Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n(C)n1 ZINC000822340636 606055159 /nfs/dbraw/zinc/05/51/59/606055159.db2.gz ALHWOLFSLZLQAW-UHFFFAOYSA-N -2 3 395.448 2.376 20 0 GEADHL Cc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n(C)n1 ZINC000822340636 606055164 /nfs/dbraw/zinc/05/51/64/606055164.db2.gz ALHWOLFSLZLQAW-UHFFFAOYSA-N -2 3 395.448 2.376 20 0 GEADHL CCC(CC)c1nnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000820898172 606468058 /nfs/dbraw/zinc/46/80/58/606468058.db2.gz VQPATOAHFVBUFH-UHFFFAOYSA-N -2 3 379.471 2.423 20 0 GEADHL CCC(CC)c1nnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000820898172 606468059 /nfs/dbraw/zinc/46/80/59/606468059.db2.gz VQPATOAHFVBUFH-UHFFFAOYSA-N -2 3 379.471 2.423 20 0 GEADHL O=C1CCCc2ccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3F)cc21 ZINC000823530037 606625330 /nfs/dbraw/zinc/62/53/30/606625330.db2.gz AEZLVNHFTZLLHY-UHFFFAOYSA-N -2 3 387.396 2.326 20 0 GEADHL O=C1CCCc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3F)cc21 ZINC000823530037 606625332 /nfs/dbraw/zinc/62/53/32/606625332.db2.gz AEZLVNHFTZLLHY-UHFFFAOYSA-N -2 3 387.396 2.326 20 0 GEADHL O=S(=O)([N-]c1ccccc1O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000823588766 606637396 /nfs/dbraw/zinc/63/73/96/606637396.db2.gz AYNUFWRBTNJNPT-UHFFFAOYSA-N -2 3 396.226 2.136 20 0 GEADHL O=S(=O)([N-]c1ccccc1O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000823588766 606637397 /nfs/dbraw/zinc/63/73/97/606637397.db2.gz AYNUFWRBTNJNPT-UHFFFAOYSA-N -2 3 396.226 2.136 20 0 GEADHL O=S(=O)([N-]c1ccsc1)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000823588779 606637495 /nfs/dbraw/zinc/63/74/95/606637495.db2.gz BIEGLCNCYVDSDZ-UHFFFAOYSA-N -2 3 386.256 2.492 20 0 GEADHL CCOc1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1F ZINC000821421656 606865888 /nfs/dbraw/zinc/86/58/88/606865888.db2.gz BNHKQQIXZCDIFY-UHFFFAOYSA-N -2 3 399.354 2.484 20 0 GEADHL CCOc1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1F ZINC000821421656 606865889 /nfs/dbraw/zinc/86/58/89/606865889.db2.gz BNHKQQIXZCDIFY-UHFFFAOYSA-N -2 3 399.354 2.484 20 0 GEADHL C[C@H](Cc1ccccc1F)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820298810 606886358 /nfs/dbraw/zinc/88/63/58/606886358.db2.gz AQAYXMZPIRNXJF-SECBINFHSA-N -2 3 397.382 2.194 20 0 GEADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C1(Cc2ccccc2)CCC1 ZINC000823284862 606887854 /nfs/dbraw/zinc/88/78/54/606887854.db2.gz LEMCOGGTYKYTRK-UHFFFAOYSA-N -2 3 397.460 2.085 20 0 GEADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C1(Cc2ccccc2)CCC1 ZINC000823284862 606887857 /nfs/dbraw/zinc/88/78/57/606887857.db2.gz LEMCOGGTYKYTRK-UHFFFAOYSA-N -2 3 397.460 2.085 20 0 GEADHL O=S(=O)([N-]C1CC(c2ccccc2)C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823566372 606890786 /nfs/dbraw/zinc/89/07/86/606890786.db2.gz FHINKXLFHWTFJM-UHFFFAOYSA-N -2 3 391.403 2.369 20 0 GEADHL Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)s1 ZINC000822234727 606892114 /nfs/dbraw/zinc/89/21/14/606892114.db2.gz FVXIDPQKFPXRHY-QMMMGPOBSA-N -2 3 399.448 2.424 20 0 GEADHL O=S(=O)([N-][C@@H]1CC[C@@H]2CCC[C@H]2C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572780 606895262 /nfs/dbraw/zinc/89/52/62/606895262.db2.gz MCXSWSHJQWPWSG-JBLDHEPKSA-N -2 3 383.424 2.392 20 0 GEADHL O=S(=O)([N-]c1ccc(F)cc1C(F)(F)F)c1ccc(-c2nnn[n-]2)nc1 ZINC000823589244 606952338 /nfs/dbraw/zinc/95/23/38/606952338.db2.gz VHOUZKIASSFGJZ-UHFFFAOYSA-N -2 3 388.306 2.220 20 0 GEADHL O=S(=O)([N-]c1cc(F)ccc1OC(F)F)c1ccccc1-c1nnn[n-]1 ZINC000823583701 607113470 /nfs/dbraw/zinc/11/34/70/607113470.db2.gz YOMPFFPTGWSWRX-UHFFFAOYSA-N -2 3 385.327 2.408 20 0 GEADHL O=S(=O)([N-]c1cc(F)ccc1OC(F)F)c1ccccc1-c1nn[n-]n1 ZINC000823583701 607113471 /nfs/dbraw/zinc/11/34/71/607113471.db2.gz YOMPFFPTGWSWRX-UHFFFAOYSA-N -2 3 385.327 2.408 20 0 GEADHL CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000820111645 607121621 /nfs/dbraw/zinc/12/16/21/607121621.db2.gz FBRZXRVDMFZAKW-UHFFFAOYSA-N -2 3 381.849 2.173 20 0 GEADHL Cc1cc(Br)cnc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822160561 607122495 /nfs/dbraw/zinc/12/24/95/607122495.db2.gz IHNJIMDLUNNRKI-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000822128478 607152460 /nfs/dbraw/zinc/15/24/60/607152460.db2.gz CVMJNQGEZGDFLS-UHFFFAOYSA-N -2 3 380.386 2.318 20 0 GEADHL Cc1noc([N-]S(=O)(=O)c2cc(Br)cc(-c3nnn[n-]3)c2)c1C ZINC000822530897 607173232 /nfs/dbraw/zinc/17/32/32/607173232.db2.gz SABZVJMLUIMDKV-UHFFFAOYSA-N -2 3 399.230 2.035 20 0 GEADHL Cc1noc([N-]S(=O)(=O)c2cc(Br)cc(-c3nn[n-]n3)c2)c1C ZINC000822530897 607173233 /nfs/dbraw/zinc/17/32/33/607173233.db2.gz SABZVJMLUIMDKV-UHFFFAOYSA-N -2 3 399.230 2.035 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C1CCC(C)(C)CC1 ZINC000822222651 607185400 /nfs/dbraw/zinc/18/54/00/607185400.db2.gz OUKZBRPSELHTLF-UHFFFAOYSA-N -2 3 377.470 2.196 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C1CCC(C)(C)CC1 ZINC000822222651 607185401 /nfs/dbraw/zinc/18/54/01/607185401.db2.gz OUKZBRPSELHTLF-UHFFFAOYSA-N -2 3 377.470 2.196 20 0 GEADHL CC(C)(CCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824152990 607836333 /nfs/dbraw/zinc/83/63/33/607836333.db2.gz WUQOKKTULNKALT-UHFFFAOYSA-N -2 3 399.476 2.430 20 0 GEADHL CC(C)(CCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824152990 607836334 /nfs/dbraw/zinc/83/63/34/607836334.db2.gz WUQOKKTULNKALT-UHFFFAOYSA-N -2 3 399.476 2.430 20 0 GEADHL Cc1ncc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC(C)C)s1 ZINC000826330030 607846490 /nfs/dbraw/zinc/84/64/90/607846490.db2.gz CKTBLYMPULNPIB-UHFFFAOYSA-N -2 3 380.455 2.220 20 0 GEADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000826450374 607922945 /nfs/dbraw/zinc/92/29/45/607922945.db2.gz JNWZLOPFITZYFL-AEGPPILISA-N -2 3 389.481 2.278 20 0 GEADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000826450374 607922946 /nfs/dbraw/zinc/92/29/46/607922946.db2.gz JNWZLOPFITZYFL-AEGPPILISA-N -2 3 389.481 2.278 20 0 GEADHL CCSCc1ccnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000825674903 608057146 /nfs/dbraw/zinc/05/71/46/608057146.db2.gz UNNDIOMXRGLDQG-UHFFFAOYSA-N -2 3 376.467 2.316 20 0 GEADHL CCSCc1ccnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000825674903 608057147 /nfs/dbraw/zinc/05/71/47/608057147.db2.gz UNNDIOMXRGLDQG-UHFFFAOYSA-N -2 3 376.467 2.316 20 0 GEADHL CC[C@@H](C)CCCCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825061086 608141574 /nfs/dbraw/zinc/14/15/74/608141574.db2.gz WIPARCPBDXBNFL-CYBMUJFWSA-N -2 3 379.486 2.419 20 0 GEADHL CC[C@@H](C)CCCCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825061086 608141575 /nfs/dbraw/zinc/14/15/75/608141575.db2.gz WIPARCPBDXBNFL-CYBMUJFWSA-N -2 3 379.486 2.419 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)nn1-c1ccccc1 ZINC000826271098 608219861 /nfs/dbraw/zinc/21/98/61/608219861.db2.gz CBUOISLLVUOBNS-UHFFFAOYSA-N -2 3 399.411 2.301 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)nn1-c1ccccc1 ZINC000826271098 608219862 /nfs/dbraw/zinc/21/98/62/608219862.db2.gz CBUOISLLVUOBNS-UHFFFAOYSA-N -2 3 399.411 2.301 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cccnc1OCC(F)F ZINC000826280050 608236851 /nfs/dbraw/zinc/23/68/51/608236851.db2.gz MBOPAOIRNZPQNU-UHFFFAOYSA-N -2 3 396.379 2.015 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2-c2nn[n-]n2)sc1C ZINC000826272304 608293720 /nfs/dbraw/zinc/29/37/20/608293720.db2.gz CRYDLOQQCIRSNI-UHFFFAOYSA-N -2 3 378.483 2.412 20 0 GEADHL CCOC(=O)c1cnc(C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)c(C(=O)[O-])c1 ZINC000825564605 608385965 /nfs/dbraw/zinc/38/59/65/608385965.db2.gz AWOGMRFYGKZBKV-XQRVVYSFSA-N -2 3 395.375 2.316 20 0 GEADHL CCOC(=O)c1cnc(C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)c(C(=O)[O-])c1 ZINC000825564605 608385967 /nfs/dbraw/zinc/38/59/67/608385967.db2.gz AWOGMRFYGKZBKV-XQRVVYSFSA-N -2 3 395.375 2.316 20 0 GEADHL Cc1cc(F)ccc1N(Cc1n[nH]c(=O)[n-]1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826269009 608406957 /nfs/dbraw/zinc/40/69/57/608406957.db2.gz XKBVLSPODIJFQV-UHFFFAOYSA-N -2 3 380.387 2.345 20 0 GEADHL Cc1cc(F)ccc1N(Cc1n[nH]c(=O)[n-]1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826269009 608406958 /nfs/dbraw/zinc/40/69/58/608406958.db2.gz XKBVLSPODIJFQV-UHFFFAOYSA-N -2 3 380.387 2.345 20 0 GEADHL Cc1[n-]n(-c2cc(C)ccc2C)c(=O)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824860549 608493648 /nfs/dbraw/zinc/49/36/48/608493648.db2.gz VNWIENWCFZSLCJ-KRWDZBQOSA-N -2 3 389.419 2.461 20 0 GEADHL Cc1[n-]n(-c2cc(C)ccc2C)c(=O)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824860549 608493649 /nfs/dbraw/zinc/49/36/49/608493649.db2.gz VNWIENWCFZSLCJ-KRWDZBQOSA-N -2 3 389.419 2.461 20 0 GEADHL O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(Br)cc1[O-] ZINC000826450976 608821400 /nfs/dbraw/zinc/82/14/00/608821400.db2.gz KYTFKNOEVWOVQG-UHFFFAOYSA-N -2 3 376.170 2.293 20 0 GEADHL Cc1cc(C)cc(CCC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826264172 609255142 /nfs/dbraw/zinc/25/51/42/609255142.db2.gz FCWSTYAVMUVHMS-UHFFFAOYSA-N -2 3 399.476 2.062 20 0 GEADHL Cc1cc(C)cc(CCC(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826264172 609255143 /nfs/dbraw/zinc/25/51/43/609255143.db2.gz FCWSTYAVMUVHMS-UHFFFAOYSA-N -2 3 399.476 2.062 20 0 GEADHL CC(C)Cc1nnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)s1 ZINC000824281032 609263410 /nfs/dbraw/zinc/26/34/10/609263410.db2.gz XUVSNMNUMRFKOB-UHFFFAOYSA-N -2 3 399.889 2.371 20 0 GEADHL CC(C)Cc1nnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)s1 ZINC000824281032 609263411 /nfs/dbraw/zinc/26/34/11/609263411.db2.gz XUVSNMNUMRFKOB-UHFFFAOYSA-N -2 3 399.889 2.371 20 0 GEADHL Cc1ccccc1S(=O)(=O)[N-]c1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000826308428 609274350 /nfs/dbraw/zinc/27/43/50/609274350.db2.gz YXQPTHCZVIQMTG-UHFFFAOYSA-N -2 3 399.411 2.301 20 0 GEADHL Cc1cc2c(cc1[N-]S(=O)(=O)c1ccc(-c3nnn[n-]3)cc1Cl)OCO2 ZINC000826272861 609274444 /nfs/dbraw/zinc/27/44/44/609274444.db2.gz FDBKXKJQHMGJNP-UHFFFAOYSA-N -2 3 393.812 2.358 20 0 GEADHL Cc1cc2c(cc1[N-]S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1Cl)OCO2 ZINC000826272861 609274446 /nfs/dbraw/zinc/27/44/46/609274446.db2.gz FDBKXKJQHMGJNP-UHFFFAOYSA-N -2 3 393.812 2.358 20 0 GEADHL COCCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000826162729 609469509 /nfs/dbraw/zinc/46/95/09/609469509.db2.gz PUHWWAGROWJNDC-UHFFFAOYSA-N -2 3 389.437 2.001 20 0 GEADHL CC(C)(C)c1nc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)no1 ZINC000824141169 609521601 /nfs/dbraw/zinc/52/16/01/609521601.db2.gz DKTMYZLCJLMAKA-UHFFFAOYSA-N -2 3 383.821 2.001 20 0 GEADHL CC(C)(C)c1nc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)no1 ZINC000824141169 609521603 /nfs/dbraw/zinc/52/16/03/609521603.db2.gz DKTMYZLCJLMAKA-UHFFFAOYSA-N -2 3 383.821 2.001 20 0 GEADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826462241 609525308 /nfs/dbraw/zinc/52/53/08/609525308.db2.gz SDYANWPIYCIOIO-UHFFFAOYSA-N -3 3 379.785 2.019 20 0 GEADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826462241 609525309 /nfs/dbraw/zinc/52/53/09/609525309.db2.gz SDYANWPIYCIOIO-UHFFFAOYSA-N -3 3 379.785 2.019 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C2(C(F)F)CC2)c(F)c1 ZINC000451505231 650121620 /nfs/dbraw/zinc/12/16/20/650121620.db2.gz UDNNCNHQJJJXOW-UHFFFAOYSA-N -2 3 386.417 2.053 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2O)c(F)c1 ZINC000513817878 650569422 /nfs/dbraw/zinc/56/94/22/650569422.db2.gz QREPYBOGVJMVNS-UHFFFAOYSA-N -2 3 394.833 2.357 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc([N-]S(=O)(=O)c2cccs2)cc1OC ZINC000055668769 642779176 /nfs/dbraw/zinc/77/91/76/642779176.db2.gz KACOJCPJBQFYEM-UHFFFAOYSA-N -2 3 376.481 2.319 20 0 GEADHL COc1cc(F)ccc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000057117347 642805440 /nfs/dbraw/zinc/80/54/40/642805440.db2.gz OJLREHLDEPCVOT-UHFFFAOYSA-N -2 3 392.405 2.146 20 0 GEADHL CC(C)Cc1nc(=NCC[N-]S(=O)(=O)c2ccc(Cl)s2)s[n-]1 ZINC000497561472 650837007 /nfs/dbraw/zinc/83/70/07/650837007.db2.gz HINRONGSQCUZHJ-UHFFFAOYSA-N -2 3 380.948 2.264 20 0 GEADHL Cn1ncc2c1[n-]cc(C(=O)NCc1ccc([O-])c(Br)c1)c2=O ZINC000119382290 643549642 /nfs/dbraw/zinc/54/96/42/643549642.db2.gz IWSBOBLGCJXLLC-UHFFFAOYSA-N -2 3 377.198 2.072 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(C)nc2)cc1F ZINC000540568842 650864461 /nfs/dbraw/zinc/86/44/61/650864461.db2.gz GPFDFBCQHOZCDI-UHFFFAOYSA-N -2 3 387.458 2.482 20 0 GEADHL COc1cc(C)[n-]c(=N[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)n1 ZINC000176719080 644403964 /nfs/dbraw/zinc/40/39/64/644403964.db2.gz NPEIAQRTEYZDOZ-UHFFFAOYSA-N -2 3 380.323 2.257 20 0 GEADHL CCOc1cc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])cc(Cl)c1[O-] ZINC000545846912 650982079 /nfs/dbraw/zinc/98/20/79/650982079.db2.gz VCRDJEWTGNLRSY-UHFFFAOYSA-N -2 3 386.813 2.050 20 0 GEADHL CCCSC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000547600985 651038497 /nfs/dbraw/zinc/03/84/97/651038497.db2.gz VVYUXWUNISFRDC-JTQLQIEISA-N -2 3 382.847 2.123 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000547600034 651038500 /nfs/dbraw/zinc/03/85/00/651038500.db2.gz PMKGIRIUEOOBBS-ZDUSSCGKSA-N -2 3 388.760 2.492 20 0 GEADHL COCc1cccc(S(=O)(=O)[N-]c2cc(C)ccc2[N-]S(C)(=O)=O)c1 ZINC000266066233 645822105 /nfs/dbraw/zinc/82/21/05/645822105.db2.gz WIMIKHUHODTLHG-UHFFFAOYSA-N -2 3 384.479 2.314 20 0 GEADHL O=C([O-])[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000547889602 651051624 /nfs/dbraw/zinc/05/16/24/651051624.db2.gz UQJDZTOFWVVVAS-LLVKDONJSA-N -2 3 381.303 2.412 20 0 GEADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](C)CCC[C@@H](C)C(=O)[O-])s1 ZINC000547936257 651056962 /nfs/dbraw/zinc/05/69/62/651056962.db2.gz IKNDWDZLWALQJX-ZJUUUORDSA-N -2 3 393.483 2.101 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2(C)CCCCC2)s1 ZINC000548029253 651061574 /nfs/dbraw/zinc/06/15/74/651061574.db2.gz IGZAUDLALVEORC-GFCCVEGCSA-N -2 3 375.468 2.237 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C(C)C)cc1Cl ZINC000274965432 646337706 /nfs/dbraw/zinc/33/77/06/646337706.db2.gz IEKAABNXGMGVRF-SECBINFHSA-N -2 3 380.825 2.073 20 0 GEADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(C)(C)C ZINC000275022270 646342830 /nfs/dbraw/zinc/34/28/30/646342830.db2.gz SAHFEGRJJCWBKA-JTQLQIEISA-N -2 3 375.418 2.028 20 0 GEADHL CCO[C@@H]1C[C@]([N-]S(=O)(=O)c2cc(F)ccc2Cl)(C(=O)[O-])C1(C)C ZINC000275824037 646361215 /nfs/dbraw/zinc/36/12/15/646361215.db2.gz ZHRUGOBSQWYTNC-DOMZBBRYSA-N -2 3 379.837 2.416 20 0 GEADHL CCOC(=O)CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000277922349 646482418 /nfs/dbraw/zinc/48/24/18/646482418.db2.gz FGFPCOLZRWSGPT-JTQLQIEISA-N -2 3 384.237 2.068 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@H](C)C(F)(F)F)c(F)c1 ZINC000424210765 648618700 /nfs/dbraw/zinc/61/87/00/648618700.db2.gz FKGGTHTZSYMBFL-MRVPVSSYSA-N -2 3 392.396 2.207 20 0 GEADHL O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccc(Cl)cc1[O-] ZINC000441393451 648826959 /nfs/dbraw/zinc/82/69/59/648826959.db2.gz LWBFYOWMLITPIC-UHFFFAOYSA-N -2 3 390.795 2.032 20 0 GEADHL Cc1nc(CC[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)sc1C(=O)[O-] ZINC000548530581 651079280 /nfs/dbraw/zinc/07/92/80/651079280.db2.gz SGVDXUAEDLQQNO-UHFFFAOYSA-N -2 3 380.369 2.088 20 0 GEADHL C[C@H]1CCC[C@@]([N-]S(=O)(=O)c2ccc(Br)cn2)(C(=O)[O-])C1 ZINC000548771271 651085633 /nfs/dbraw/zinc/08/56/33/651085633.db2.gz YUIXOSFMDWCJGK-ZANVPECISA-N -2 3 377.260 2.156 20 0 GEADHL O=C([O-])C[C@@H](CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)C(F)(F)F ZINC000556778867 651252413 /nfs/dbraw/zinc/25/24/13/651252413.db2.gz IRJPOLBXHQQGNA-SSDOTTSWSA-N -2 3 394.293 2.422 20 0 GEADHL Cc1cc(S(=O)(=O)[N-][C@@H]2C=C[C@@H](C(=O)[O-])C2)c(F)cc1Br ZINC000556890264 651256257 /nfs/dbraw/zinc/25/62/57/651256257.db2.gz ZRQANOVSHAKXMB-RKDXNWHRSA-N -2 3 378.219 2.204 20 0 GEADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C ZINC000558863107 651287112 /nfs/dbraw/zinc/28/71/12/651287112.db2.gz WMHDMQTWEQBPLT-NSHDSACASA-N -2 3 385.463 2.466 20 0 GEADHL O=C([O-])CNC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1 ZINC000612053797 651743682 /nfs/dbraw/zinc/74/36/82/651743682.db2.gz GMNGUDAYOHXWOG-UHFFFAOYSA-N -2 3 386.788 2.094 20 0 GEADHL Cc1ccc([C@@H]2OCCC[C@H]2[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000571043423 651808096 /nfs/dbraw/zinc/80/80/96/651808096.db2.gz COUKSIWNDUMKPI-DOMZBBRYSA-N -2 3 382.463 2.348 20 0 GEADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1cccs1 ZINC000614314347 651820574 /nfs/dbraw/zinc/82/05/74/651820574.db2.gz CJMZJTVWDJHDLP-JTQLQIEISA-N -2 3 387.410 2.168 20 0 GEADHL CC(C)c1[nH]nc(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)c1Br ZINC000736522920 651824419 /nfs/dbraw/zinc/82/44/19/651824419.db2.gz LUZYIDHASIMNJB-UHFFFAOYSA-N -2 3 388.247 2.417 20 0 GEADHL Cc1oc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)nc1C1CC1 ZINC000572091147 651872301 /nfs/dbraw/zinc/87/23/01/651872301.db2.gz XNXOTFVAULDJMR-UHFFFAOYSA-N -2 3 389.430 2.172 20 0 GEADHL Cn1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)c1=O ZINC000740812119 651925088 /nfs/dbraw/zinc/92/50/88/651925088.db2.gz SAWRBNVHDCCNFS-UHFFFAOYSA-N -2 3 377.205 2.191 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(=O)[O-])cc1Cl ZINC000573120233 651935742 /nfs/dbraw/zinc/93/57/42/651935742.db2.gz JCTXVUAUQINWQL-JOYOIKCWSA-N -2 3 392.836 2.359 20 0 GEADHL CCn1cncc1S(=O)(=O)[N-][C@@H](c1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000573321225 651947197 /nfs/dbraw/zinc/94/71/97/651947197.db2.gz FMUZHEIOQZKOJG-LBPRGKRZSA-N -2 3 377.344 2.183 20 0 GEADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2ccc(Cl)nc2)c1 ZINC000742030730 651963823 /nfs/dbraw/zinc/96/38/23/651963823.db2.gz JTBITJVDMSNCKB-UHFFFAOYSA-N -2 3 375.859 2.216 20 0 GEADHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](O)Cc2ccccc2)sc1Cl ZINC000577179705 652168428 /nfs/dbraw/zinc/16/84/28/652168428.db2.gz ADTQUOOMTCBBBK-WCQYABFASA-N -2 3 389.882 2.045 20 0 GEADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000577598151 652200156 /nfs/dbraw/zinc/20/01/56/652200156.db2.gz FBTDQBKFNRHBPX-UHFFFAOYSA-N -2 3 394.396 2.121 20 0 GEADHL Cc1c(Br)ccc(C(=O)[O-])c1[N-]S(=O)(=O)[C@H]1CCO[C@@H]1C ZINC000578240836 652255595 /nfs/dbraw/zinc/25/55/95/652255595.db2.gz JEACYQPADFYNBL-KCJUWKMLSA-N -2 3 378.244 2.375 20 0 GEADHL Cc1cc(F)c(S(=O)(=O)[N-]N=c2nc[nH]c3ccsc32)cc1C(=O)[O-] ZINC000753781386 652415024 /nfs/dbraw/zinc/41/50/24/652415024.db2.gz AAKKFPUWJHXZJP-UHFFFAOYSA-N -2 3 382.398 2.142 20 0 GEADHL CC(=O)Nc1ncc(S(=O)(=O)[N-]CCC2(CC(=O)[O-])CCCCC2)s1 ZINC000581946942 652428593 /nfs/dbraw/zinc/42/85/93/652428593.db2.gz HWQUBFKVXFHDCC-UHFFFAOYSA-N -2 3 389.499 2.195 20 0 GEADHL CC1(C)C[C@H](S(=O)(=O)[N-]c2cc(Br)ccc2C(=O)[O-])CO1 ZINC000629291940 652483623 /nfs/dbraw/zinc/48/36/23/652483623.db2.gz RUWBNKLETCKMLJ-VIFPVBQESA-N -2 3 378.244 2.457 20 0 GEADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Br)C1CCC1 ZINC000663254254 652486548 /nfs/dbraw/zinc/48/65/48/652486548.db2.gz GETSNCFXQCYNED-JTQLQIEISA-N -2 3 380.235 2.367 20 0 GEADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cc(Br)ccc1F)C1CCC1 ZINC000663255861 652486906 /nfs/dbraw/zinc/48/69/06/652486906.db2.gz SBBIREBHSMHZFI-SNVBAGLBSA-N -2 3 380.235 2.367 20 0 GEADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cccc(Br)c1F)C1CCC1 ZINC000663254620 652486981 /nfs/dbraw/zinc/48/69/81/652486981.db2.gz BKICTRWIEOUJIF-VIFPVBQESA-N -2 3 380.235 2.367 20 0 GEADHL CCC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)cc1F)C(=O)[O-] ZINC000583530436 652488613 /nfs/dbraw/zinc/48/86/13/652488613.db2.gz ZWXJCVFCOCLAGT-GXFFZTMASA-N -2 3 375.418 2.170 20 0 GEADHL O=C([O-])[C@]1(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCCOC1 ZINC000630432929 652508665 /nfs/dbraw/zinc/50/86/65/652508665.db2.gz PUDYSCACLOPTOU-ZDUSSCGKSA-N -2 3 385.335 2.004 20 0 GEADHL O=C([O-])Cc1cc(Br)cc([N-]S(=O)(=O)CCOCC2CC2)c1 ZINC000634796659 652667092 /nfs/dbraw/zinc/66/70/92/652667092.db2.gz ANGKEHUTUBBHIM-UHFFFAOYSA-N -2 3 392.271 2.245 20 0 GEADHL O=C([O-])Cc1cc(Br)cc([N-]S(=O)(=O)C[C@H]2CCCCO2)c1 ZINC000634797211 652667694 /nfs/dbraw/zinc/66/76/94/652667694.db2.gz WEWGQAQYJBLNIT-CYBMUJFWSA-N -2 3 392.271 2.387 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C2(C(F)F)CCCC2)c(F)c1 ZINC000673586172 652871974 /nfs/dbraw/zinc/87/19/74/652871974.db2.gz BBGBLAAPXKKEST-UHFFFAOYSA-N -2 3 386.417 2.053 20 0 GEADHL CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)NCC(=O)[O-])c(Cl)cc1Cl ZINC000769476187 653159174 /nfs/dbraw/zinc/15/91/74/653159174.db2.gz YIZKMGRMOPNDMV-MRVPVSSYSA-N -2 3 397.280 2.275 20 0 GEADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000776500174 653352077 /nfs/dbraw/zinc/35/20/77/653352077.db2.gz LXKSLFRDZOQZKF-NSHDSACASA-N -2 3 378.328 2.414 20 0 GEADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)Cc1ccccn1 ZINC000776534385 653355248 /nfs/dbraw/zinc/35/52/48/653355248.db2.gz PCPXDIULKBWTIL-SECBINFHSA-N -2 3 390.248 2.005 20 0 GEADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-]CC(C)(C)CC(=O)[O-] ZINC000776571458 653359970 /nfs/dbraw/zinc/35/99/70/653359970.db2.gz QKNJFMALOPMATA-UHFFFAOYSA-N -2 3 398.250 2.376 20 0 GEADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](C)CCC[C@@H](C)C(=O)[O-])c1 ZINC000776575019 653360980 /nfs/dbraw/zinc/36/09/80/653360980.db2.gz XZSGJTFETOKSLF-GHMZBOCLSA-N -2 3 375.418 2.170 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-]CC[C@@H](C)C(=O)[O-])c(Cl)cc1Cl ZINC000776586380 653361929 /nfs/dbraw/zinc/36/19/29/653361929.db2.gz CRXSUTJOOZXSHT-SSDOTTSWSA-N -2 3 384.237 2.169 20 0 GEADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-]CC[C@@H](C)CC(=O)[O-] ZINC000776623508 653365849 /nfs/dbraw/zinc/36/58/49/653365849.db2.gz JCBXSGRLKGNTQZ-MRVPVSSYSA-N -2 3 398.250 2.376 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(=O)[nH]c2)c(Br)cc1F ZINC000811724791 653403621 /nfs/dbraw/zinc/40/36/21/653403621.db2.gz FVONKJAHUSIYBR-UHFFFAOYSA-N -2 3 391.174 2.188 20 0 GEADHL O=C([O-])[C@H](CCC(=O)c1ccccc1)[N-]S(=O)(=O)c1cccnc1Cl ZINC000781864146 653650723 /nfs/dbraw/zinc/65/07/23/653650723.db2.gz JWKAPAIJIFNGRZ-LBPRGKRZSA-N -2 3 382.825 2.130 20 0 GEADHL CO[C@@H]([C@H](C)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br)C1CC1 ZINC000840894605 653698732 /nfs/dbraw/zinc/69/87/32/653698732.db2.gz CVNYABNJIYPRHH-WKEGUHRASA-N -2 3 398.300 2.301 20 0 GEADHL COCC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CCCC1 ZINC000840895568 653698905 /nfs/dbraw/zinc/69/89/05/653698905.db2.gz NTAVADNYCVLOBG-UHFFFAOYSA-N -2 3 396.259 2.225 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccco2)c(Br)o1 ZINC000840896625 653699368 /nfs/dbraw/zinc/69/93/68/653699368.db2.gz FPOZPQMFTQVEHQ-RNFRBKRXSA-N -2 3 376.184 2.168 20 0 GEADHL O=C([O-])/C=C\C[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000788444801 653756798 /nfs/dbraw/zinc/75/67/98/653756798.db2.gz BGJNDVFEOZFTKJ-UPHRSURJSA-N -2 3 388.161 2.387 20 0 GEADHL CC[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl)C(=O)OC ZINC000843288101 653783361 /nfs/dbraw/zinc/78/33/61/653783361.db2.gz NUMAZYXANOWTFH-SSDOTTSWSA-N -2 3 384.237 2.169 20 0 GEADHL C[C@H]1CC([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)C[C@H](C)O1 ZINC000844895588 653825685 /nfs/dbraw/zinc/82/56/85/653825685.db2.gz RQEPTKZZSJHVQX-BQBZGAKWSA-N -2 3 398.300 2.443 20 0 GEADHL COc1cc(S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F)cnc1Cl ZINC000794768753 653919990 /nfs/dbraw/zinc/91/99/90/653919990.db2.gz ZFDNWVYQGDEPPT-ZETCQYMHSA-N -2 3 390.767 2.065 20 0 GEADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C1CCC1)C1CCC1 ZINC000794776207 653920454 /nfs/dbraw/zinc/92/04/54/653920454.db2.gz UWERVHPDTCYEPU-CYBMUJFWSA-N -2 3 389.905 2.330 20 0 GEADHL Cc1cccc([N-]S(=O)(=O)c2cncc(Br)c2)c1-c1nn[n-]n1 ZINC000826299450 653949126 /nfs/dbraw/zinc/94/91/26/653949126.db2.gz GACNZGSMVGAWKR-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL O=C([O-])C[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000899951360 654041861 /nfs/dbraw/zinc/04/18/61/654041861.db2.gz WDINZSRBECXWDF-KCJUWKMLSA-N -2 3 385.335 2.003 20 0 GEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@H](c1ccccc1)C1CCOCC1 ZINC000829447568 654067597 /nfs/dbraw/zinc/06/75/97/654067597.db2.gz NIKOHZVPKNZOLI-CYBMUJFWSA-N -2 3 382.463 2.288 20 0 GEADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1ccccc1F ZINC000917736426 654132689 /nfs/dbraw/zinc/13/26/89/654132689.db2.gz MOYFUADAHDAPQM-NSHDSACASA-N -2 3 375.809 2.015 20 0 GEADHL CCOCCCC[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000871821792 654266141 /nfs/dbraw/zinc/26/61/41/654266141.db2.gz LWWRNNAPYISXHA-UHFFFAOYSA-N -2 3 386.289 2.304 20 0 GEADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-][C@H]2CCN(C3CC3)C2)c1 ZINC000871831159 654267005 /nfs/dbraw/zinc/26/70/05/654267005.db2.gz JDQXIKPRXJUMPH-VIFPVBQESA-N -2 3 379.265 2.207 20 0 GEADHL COC(=O)c1sc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C2CCC2)c(C)c1Cl ZINC000853024812 654273033 /nfs/dbraw/zinc/27/30/33/654273033.db2.gz PTWPTGHMSBVSNY-SECBINFHSA-N -2 3 395.886 2.276 20 0 GEADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CC=C(C(=O)[O-])C2)c(F)cc1Br ZINC000853068982 654275616 /nfs/dbraw/zinc/27/56/16/654275616.db2.gz IMXKRDYVPHQVMC-SECBINFHSA-N -2 3 378.219 2.348 20 0 GEADHL CC1(C[N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)CCOCC1 ZINC000871918781 654277013 /nfs/dbraw/zinc/27/70/13/654277013.db2.gz ZYWRTNATDUOCCV-UHFFFAOYSA-N -2 3 398.300 2.304 20 0 GEADHL CO[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000871933551 654284221 /nfs/dbraw/zinc/28/42/21/654284221.db2.gz RFYOITGNHVSMRN-CBAPKCEASA-N -2 3 398.300 2.302 20 0 GEADHL CO[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000871933553 654284387 /nfs/dbraw/zinc/28/43/87/654284387.db2.gz RFYOITGNHVSMRN-VXNVDRBHSA-N -2 3 398.300 2.302 20 0 GEADHL COCC[S@@](=O)Cc1cccc([N-]S(=O)(=O)c2cc([O-])cc(F)c2)c1 ZINC000872353820 654325567 /nfs/dbraw/zinc/32/55/67/654325567.db2.gz FNDABHCNMXNHNK-XMMPIXPASA-N -2 3 387.454 2.227 20 0 GEADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C[C@H]2CCCO2)C(=O)[O-])s1 ZINC000906002442 654399252 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O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Br)c(F)c3)ccc21 ZINC000172900658 531974645 /nfs/dbraw/zinc/97/46/45/531974645.db2.gz ANBWFVLWSJGWEG-UHFFFAOYSA-N -2 3 399.197 2.273 20 0 GEADHL O=S(=O)([N-]c1ccc(Cc2nnn[n-]2)cc1)c1cccc(Br)c1 ZINC000122935325 532087197 /nfs/dbraw/zinc/08/71/97/532087197.db2.gz QDDXUIAFBDAOMW-UHFFFAOYSA-N -2 3 394.254 2.354 20 0 GEADHL O=S(=O)([N-]c1ccc(Cc2nn[n-]n2)cc1)c1cccc(Br)c1 ZINC000122935325 532087201 /nfs/dbraw/zinc/08/72/01/532087201.db2.gz QDDXUIAFBDAOMW-UHFFFAOYSA-N -2 3 394.254 2.354 20 0 GEADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)[C@@H](C)C(=O)[O-] ZINC000133172444 532228427 /nfs/dbraw/zinc/22/84/27/532228427.db2.gz PSACIRDUOHPWFV-RKDXNWHRSA-N -2 3 380.260 2.235 20 0 GEADHL C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000135571520 532275428 /nfs/dbraw/zinc/27/54/28/532275428.db2.gz WFXAFLHNEBATFU-WCQYABFASA-N -2 3 377.260 2.156 20 0 GEADHL C[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F)N1CCC(C)CC1 ZINC000184965623 532336338 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LGXMEKYOGXPTCN-UHFFFAOYSA-N -2 3 377.434 2.142 20 0 GEADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C[C@@H](C)Oc1cccc(F)c1 ZINC000566176412 532598126 /nfs/dbraw/zinc/59/81/26/532598126.db2.gz HRNPADMWXCRVHN-SECBINFHSA-N -2 3 389.426 2.340 20 0 GEADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000566179895 532598751 /nfs/dbraw/zinc/59/87/51/532598751.db2.gz QKAGBNOLDQYWAR-WFASDCNBSA-N -2 3 382.463 2.288 20 0 GEADHL CCc1ncc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(OC(F)F)cc2)s1 ZINC000566183335 532598924 /nfs/dbraw/zinc/59/89/24/532598924.db2.gz XAEUFJQIQAZYCD-GFCCVEGCSA-N -2 3 392.405 2.411 20 0 GEADHL CO[C@@H](C[C@@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)[O-])C1CC1 ZINC000656169400 532606774 /nfs/dbraw/zinc/60/67/74/532606774.db2.gz OKCGGCXGLBWKKN-NEPJUHHUSA-N -2 3 381.372 2.252 20 0 GEADHL O=C([O-])c1coc(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)c1 ZINC000566714957 532624924 /nfs/dbraw/zinc/62/49/24/532624924.db2.gz QYVPSXPBDWMULB-UHFFFAOYSA-N -2 3 383.275 2.494 20 0 GEADHL CO[C@H](CS(=O)(=O)[N-]c1ccc(S[C@@H](C)C(=O)[O-])cc1)[C@H]1CCOC1 ZINC000656628385 532626673 /nfs/dbraw/zinc/62/66/73/532626673.db2.gz AFYPSYZKYIYUMP-SLEUVZQESA-N -2 3 389.495 2.045 20 0 GEADHL CO[C@H](CS(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1[O-])[C@@H]1CCOC1 ZINC000656629387 532628571 /nfs/dbraw/zinc/62/85/71/532628571.db2.gz UVCFMMVYUWSCIL-NOZJJQNGSA-N -2 3 385.360 2.084 20 0 GEADHL COc1cccc(OC)c1S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F ZINC000285027862 532640088 /nfs/dbraw/zinc/64/00/88/532640088.db2.gz IJCZLNAKTVVBCD-VIFPVBQESA-N -2 3 385.360 2.025 20 0 GEADHL O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Br)cc3cccnc32)C1 ZINC000567104037 532641639 /nfs/dbraw/zinc/64/16/39/532641639.db2.gz CQYFJASOAWNUON-HOMQSWHASA-N -2 3 385.239 2.139 20 0 GEADHL O=C(c1ccccc1[O-])N1CCC([N-]S(=O)(=O)c2sccc2F)CC1 ZINC000436731452 532642794 /nfs/dbraw/zinc/64/27/94/532642794.db2.gz OZPHNJZVHCNNKY-UHFFFAOYSA-N -2 3 384.454 2.176 20 0 GEADHL COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CC1CC1)C(=O)[O-] ZINC000285096091 532647473 /nfs/dbraw/zinc/64/74/73/532647473.db2.gz LZDSZJKVSMRKHH-ZDUSSCGKSA-N -2 3 391.873 2.287 20 0 GEADHL CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OC)c(F)c1)C(=O)[O-] ZINC000567320386 532649473 /nfs/dbraw/zinc/64/94/73/532649473.db2.gz GWLSCNRACWLOJL-HZMBPMFUSA-N -2 3 375.418 2.170 20 0 GEADHL COc1cc([N-]S(=O)(=O)CC(C)(C)OC)c(C(=O)[O-])cc1OC(F)F ZINC000439250044 532686270 /nfs/dbraw/zinc/68/62/70/532686270.db2.gz LNXABXAMUNOIID-UHFFFAOYSA-N -2 3 383.369 2.162 20 0 GEADHL CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc1 ZINC000484542331 532680870 /nfs/dbraw/zinc/68/08/70/532680870.db2.gz IRZDGOUSBDBIRJ-UHFFFAOYSA-N -2 3 387.410 2.118 20 0 GEADHL CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)s1 ZINC000580441051 532747507 /nfs/dbraw/zinc/74/75/07/532747507.db2.gz BASAKTPSTYPOBQ-UHFFFAOYSA-N -2 3 383.495 2.331 20 0 GEADHL O=C([O-])[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000541910318 532762257 /nfs/dbraw/zinc/76/22/57/532762257.db2.gz WYXNLEXGDMGKMA-SNVBAGLBSA-N -2 3 392.202 2.155 20 0 GEADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1C=C[C@H](C(=O)[O-])C1 ZINC000316910504 532783787 /nfs/dbraw/zinc/78/37/87/532783787.db2.gz YPIIYCDCJMSVFH-ONGXEEELSA-N -2 3 390.255 2.155 20 0 GEADHL CCC[C@@H](O)[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000547613486 532787463 /nfs/dbraw/zinc/78/74/63/532787463.db2.gz ZDDKULVPNLTOGN-KOLCDFICSA-N -2 3 389.779 2.251 20 0 GEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]CC[C@@H]1CCCCO1 ZINC000326736482 532791162 /nfs/dbraw/zinc/79/11/62/532791162.db2.gz HZHQHBCPZXCLSO-NSHDSACASA-N -2 3 377.846 2.284 20 0 GEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2(C)CCCCC2)c1 ZINC000548683739 532793447 /nfs/dbraw/zinc/79/34/47/532793447.db2.gz GLBBGRVIKFAWPL-LBPRGKRZSA-N -2 3 375.468 2.237 20 0 GEADHL O=C([O-])[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000313812318 532780106 /nfs/dbraw/zinc/78/01/06/532780106.db2.gz ITZUNHIRAGWEOL-ZETCQYMHSA-N -2 3 394.140 2.272 20 0 GEADHL COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C1(C(=O)[O-])CCC1 ZINC000554539247 532805047 /nfs/dbraw/zinc/80/50/47/532805047.db2.gz FYYCDWSAJBBDOT-JTQLQIEISA-N -2 3 377.846 2.039 20 0 GEADHL COc1ccc(Br)c(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)c1 ZINC000270411767 532798065 /nfs/dbraw/zinc/79/80/65/532798065.db2.gz CGYYKKLGIBRZOY-UHFFFAOYSA-N -2 3 378.244 2.133 20 0 GEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@](C)(CCC(C)(C)C)C(=O)[O-])c1 ZINC000551587718 532801182 /nfs/dbraw/zinc/80/11/82/532801182.db2.gz IEVUAAWRHRHSIZ-OAHLLOKOSA-N -2 3 377.484 2.483 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2)c(F)c1 ZINC000552359522 532803648 /nfs/dbraw/zinc/80/36/48/532803648.db2.gz GEMYVJGBBIMCPL-UHFFFAOYSA-N -2 3 392.861 2.329 20 0 GEADHL C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1)c1csnn1 ZINC000414395848 532824377 /nfs/dbraw/zinc/82/43/77/532824377.db2.gz RKRQWYPNWHBVTQ-LURJTMIESA-N -2 3 381.357 2.295 20 0 GEADHL Cc1ocnc1C[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(Cl)c1 ZINC000273707019 532832272 /nfs/dbraw/zinc/83/22/72/532832272.db2.gz KPKBBPDMKOCRCQ-UHFFFAOYSA-N -2 3 388.829 2.359 20 0 GEADHL CC[C@H](C)N(C)CC[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000273726701 532832569 /nfs/dbraw/zinc/83/25/69/532832569.db2.gz RFVBNPLTQBOFNW-QMMMGPOBSA-N -2 3 399.332 2.217 20 0 GEADHL COCCCO[N-]C(=O)Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1 ZINC000289078426 532846873 /nfs/dbraw/zinc/84/68/73/532846873.db2.gz NNYUDBNMLDSFTE-UHFFFAOYSA-N -2 3 386.455 2.034 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOCC2)c(Cl)c1Cl ZINC000274940793 532860296 /nfs/dbraw/zinc/86/02/96/532860296.db2.gz GHOFOFCBMLSKOB-UHFFFAOYSA-N -2 3 398.264 2.162 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](C)CCCC(=O)[O-])cc1Cl ZINC000274943606 532860412 /nfs/dbraw/zinc/86/04/12/532860412.db2.gz GRQFBRDFVGQYDN-MRVPVSSYSA-N -2 3 380.825 2.359 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC[C@@H](C)CC(=O)[O-])cc1Cl ZINC000275014068 532861305 /nfs/dbraw/zinc/86/13/05/532861305.db2.gz NUHNJXXGGGIPOK-MRVPVSSYSA-N -2 3 380.825 2.217 20 0 GEADHL COC(=O)c1sccc1S(=O)(=O)[N-]CC1(CC(=O)[O-])CCCCC1 ZINC000275088966 532864360 /nfs/dbraw/zinc/86/43/60/532864360.db2.gz ORTXPRRNPGRIBU-UHFFFAOYSA-N -2 3 375.468 2.238 20 0 GEADHL C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1)CC(=O)[O-] ZINC000275134822 532866019 /nfs/dbraw/zinc/86/60/19/532866019.db2.gz JBSMNAAOZFCKCQ-NWDGAFQWSA-N -2 3 391.873 2.144 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-])c1Br ZINC000275163799 532866768 /nfs/dbraw/zinc/86/67/68/532866768.db2.gz AZUHCGYSRRGUJJ-ZETCQYMHSA-N -2 3 390.177 2.441 20 0 GEADHL CCOC(=O)CCS(=O)(=O)[N-]c1c(C)ccc(Br)c1C(=O)[O-] ZINC000275333998 532873291 /nfs/dbraw/zinc/87/32/91/532873291.db2.gz UOAIPJOIFOMDGZ-UHFFFAOYSA-N -2 3 394.243 2.151 20 0 GEADHL CCO[C@@H]1C[C@]([N-]S(=O)(=O)c2cc(F)c(C)cc2F)(C(=O)[O-])C1(C)C ZINC000275528479 532877872 /nfs/dbraw/zinc/87/78/72/532877872.db2.gz BLOGYTDQHYAFQF-CJNGLKHVSA-N -2 3 377.409 2.210 20 0 GEADHL CC[C@@H](CS(=O)(=O)[N-]c1cc(OC)c(OC(F)F)cc1C(=O)[O-])OC ZINC000421156113 532888909 /nfs/dbraw/zinc/88/89/09/532888909.db2.gz PMBZOYYVUXDWKQ-QMMMGPOBSA-N -2 3 383.369 2.162 20 0 GEADHL O=C([O-])c1cc([N-]S(=O)(=O)CCOCC2CC2)ccc1Br ZINC000424063940 532895069 /nfs/dbraw/zinc/89/50/69/532895069.db2.gz NFCQDEFOSOAAHA-UHFFFAOYSA-N -2 3 378.244 2.316 20 0 GEADHL C[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735987286 598923858 /nfs/dbraw/zinc/92/38/58/598923858.db2.gz XVRJTUKJXBXKFI-LBPRGKRZSA-N -2 3 377.470 2.029 20 0 GEADHL C[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735987286 598923860 /nfs/dbraw/zinc/92/38/60/598923860.db2.gz XVRJTUKJXBXKFI-LBPRGKRZSA-N -2 3 377.470 2.029 20 0 GEADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cnn(Cc2ccccc2)c1 ZINC000737225956 598949607 /nfs/dbraw/zinc/94/96/07/598949607.db2.gz MBSASKBGNDCCPT-UHFFFAOYSA-N -2 3 395.448 2.221 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cnn(Cc2ccccc2)c1 ZINC000737225956 598949609 /nfs/dbraw/zinc/94/96/09/598949609.db2.gz MBSASKBGNDCCPT-UHFFFAOYSA-N -2 3 395.448 2.221 20 0 GEADHL Cc1ccc(C(C)(C)C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000737318647 598976803 /nfs/dbraw/zinc/97/68/03/598976803.db2.gz WTKBBVPCXDWFBX-UHFFFAOYSA-N -2 3 399.476 2.266 20 0 GEADHL Cc1ccc(C(C)(C)C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000737318647 598976806 /nfs/dbraw/zinc/97/68/06/598976806.db2.gz WTKBBVPCXDWFBX-UHFFFAOYSA-N -2 3 399.476 2.266 20 0 GEADHL Cc1ccccc1[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737423453 599190895 /nfs/dbraw/zinc/19/08/95/599190895.db2.gz RSBOFEGGOFNEOO-AWEZNQCLSA-N -2 3 399.476 2.315 20 0 GEADHL Cc1ccccc1[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737423453 599190897 /nfs/dbraw/zinc/19/08/97/599190897.db2.gz RSBOFEGGOFNEOO-AWEZNQCLSA-N -2 3 399.476 2.315 20 0 GEADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000736184964 599220197 /nfs/dbraw/zinc/22/01/97/599220197.db2.gz QIFOQASTDWLPJA-NHYWBVRUSA-N -2 3 399.382 2.105 20 0 GEADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000736184964 599220198 /nfs/dbraw/zinc/22/01/98/599220198.db2.gz QIFOQASTDWLPJA-NHYWBVRUSA-N -2 3 399.382 2.105 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-])cc1Cl ZINC000261694789 596946932 /nfs/dbraw/zinc/94/69/32/596946932.db2.gz NLQHKHDICCDJSY-GFCCVEGCSA-N -2 3 380.825 2.215 20 0 GEADHL O=C([O-])[C@@H]1CCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000426719526 597494380 /nfs/dbraw/zinc/49/43/80/597494380.db2.gz HFGFUQAIVPICAX-INIZCTEOSA-N -2 3 392.408 2.316 20 0 GEADHL O=C([O-])[C@@H]1CCCN1C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000821399980 597660832 /nfs/dbraw/zinc/66/08/32/597660832.db2.gz SYERDAGOCZFASQ-ROUUACIJSA-N -2 3 382.416 2.329 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C=CC1CCCCC1 ZINC000737298478 599285973 /nfs/dbraw/zinc/28/59/73/599285973.db2.gz KSOKXDDNKHONCR-CSKARUKUSA-N -2 3 375.454 2.117 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C=CC1CCCCC1 ZINC000737298478 599285975 /nfs/dbraw/zinc/28/59/75/599285975.db2.gz KSOKXDDNKHONCR-CSKARUKUSA-N -2 3 375.454 2.117 20 0 GEADHL Cn1cc(S(=O)(=O)[N-]c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)cn1 ZINC000737610740 598283824 /nfs/dbraw/zinc/28/38/24/598283824.db2.gz QLDBYISPORQBGB-UHFFFAOYSA-N -2 3 397.420 2.193 20 0 GEADHL COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC000737107300 598399902 /nfs/dbraw/zinc/39/99/02/598399902.db2.gz AIRVDZKJENEXRR-UHFFFAOYSA-N -2 3 389.437 2.463 20 0 GEADHL COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC000737107300 598399904 /nfs/dbraw/zinc/39/99/04/598399904.db2.gz AIRVDZKJENEXRR-UHFFFAOYSA-N -2 3 389.437 2.463 20 0 GEADHL Cc1ccc(F)cc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737345630 598415476 /nfs/dbraw/zinc/41/54/76/598415476.db2.gz TVMNDNZSMSRHMY-UHFFFAOYSA-N -2 3 395.803 2.086 20 0 GEADHL Cc1ccc(F)cc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737345630 598415477 /nfs/dbraw/zinc/41/54/77/598415477.db2.gz TVMNDNZSMSRHMY-UHFFFAOYSA-N -2 3 395.803 2.086 20 0 GEADHL CC(C)C[C@@H](C)n1nccc1[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735762258 598437502 /nfs/dbraw/zinc/43/75/02/598437502.db2.gz WCQBPCABMPRTGW-GFCCVEGCSA-N -2 3 375.458 2.471 20 0 GEADHL CC(C)C[C@@H](C)n1nccc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735762258 598437504 /nfs/dbraw/zinc/43/75/04/598437504.db2.gz WCQBPCABMPRTGW-GFCCVEGCSA-N -2 3 375.458 2.471 20 0 GEADHL CC(C)(C)c1ccccc1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819959078 607357932 /nfs/dbraw/zinc/35/79/32/607357932.db2.gz XMRCQNXZXPIFLY-UHFFFAOYSA-N -2 3 399.476 2.424 20 0 GEADHL CC(C)(C)c1ccccc1C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819959078 607357934 /nfs/dbraw/zinc/35/79/34/607357934.db2.gz XMRCQNXZXPIFLY-UHFFFAOYSA-N -2 3 399.476 2.424 20 0 GEADHL CSc1[nH]c(=O)c(C(=O)Nc2cc(Cl)ccc2[O-])cc1-c1nnn[n-]1 ZINC000737187733 598568821 /nfs/dbraw/zinc/56/88/21/598568821.db2.gz SOSALGCPGRGZRI-UHFFFAOYSA-N -2 3 378.801 2.301 20 0 GEADHL O=C(Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1)c1ncccc1[O-] ZINC000823356900 599320956 /nfs/dbraw/zinc/32/09/56/599320956.db2.gz QYRKGCZOLVPYPR-UHFFFAOYSA-N -2 3 375.348 2.407 20 0 GEADHL O=C(Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1)c1ncccc1[O-] ZINC000823356900 599320958 /nfs/dbraw/zinc/32/09/58/599320958.db2.gz QYRKGCZOLVPYPR-UHFFFAOYSA-N -2 3 375.348 2.407 20 0 GEADHL Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000822528279 607376984 /nfs/dbraw/zinc/37/69/84/607376984.db2.gz ZZYZSMLGDRZCTG-UHFFFAOYSA-N -2 3 378.414 2.060 20 0 GEADHL Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000822528279 607376986 /nfs/dbraw/zinc/37/69/86/607376986.db2.gz ZZYZSMLGDRZCTG-UHFFFAOYSA-N -2 3 378.414 2.060 20 0 GEADHL O=S(=O)([N-]c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)c1c[nH]cn1 ZINC000738343480 599471115 /nfs/dbraw/zinc/47/11/15/599471115.db2.gz ZVNVNEHWJUIRGG-UHFFFAOYSA-N -2 3 383.393 2.183 20 0 GEADHL O=S(=O)([N-]c1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1)c1c[nH]cn1 ZINC000738343458 599471172 /nfs/dbraw/zinc/47/11/72/599471172.db2.gz ZJOMOYPQCVCNEA-UHFFFAOYSA-N -2 3 383.393 2.183 20 0 GEADHL Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)Nc2cccc(Cl)c2[O-])cc1 ZINC000737777273 599495394 /nfs/dbraw/zinc/49/53/94/599495394.db2.gz SHDFTJUQNCBGSI-UHFFFAOYSA-N -2 3 396.798 2.246 20 0 GEADHL Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)Nc2cccc(Cl)c2[O-])cc1 ZINC000737777273 599495397 /nfs/dbraw/zinc/49/53/97/599495397.db2.gz SHDFTJUQNCBGSI-UHFFFAOYSA-N -2 3 396.798 2.246 20 0 GEADHL CC(C)[C@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820016426 599621262 /nfs/dbraw/zinc/62/12/62/599621262.db2.gz MBIWORHXPQFJCJ-KRWDZBQOSA-N -2 3 399.476 2.253 20 0 GEADHL CC(C)[C@H](C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820016426 599621263 /nfs/dbraw/zinc/62/12/63/599621263.db2.gz MBIWORHXPQFJCJ-KRWDZBQOSA-N -2 3 399.476 2.253 20 0 GEADHL O=C(CCCC1CCCC1)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822955185 599621820 /nfs/dbraw/zinc/62/18/20/599621820.db2.gz LJKNLDWZNVFXHU-UHFFFAOYSA-N -2 3 377.470 2.173 20 0 GEADHL O=C(CCCC1CCCC1)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822955185 599621821 /nfs/dbraw/zinc/62/18/21/599621821.db2.gz LJKNLDWZNVFXHU-UHFFFAOYSA-N -2 3 377.470 2.173 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c(C)c1OCC(=O)[O-] ZINC000060360536 599768166 /nfs/dbraw/zinc/76/81/66/599768166.db2.gz SCZKJDMAKQJQJU-UHFFFAOYSA-N -3 3 379.390 2.266 20 0 GEADHL Cc1ccccc1C1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CCOCC1 ZINC000580190558 599774584 /nfs/dbraw/zinc/77/45/84/599774584.db2.gz ZMDRQPXOWXGSMN-UHFFFAOYSA-N -2 3 379.434 2.313 20 0 GEADHL CC(C)[C@H]([N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1)c1nc(C2CC2)no1 ZINC000570839547 599775238 /nfs/dbraw/zinc/77/52/38/599775238.db2.gz NSGZILWURKGQPV-HNNXBMFYSA-N -2 3 395.437 2.086 20 0 GEADHL CC(C)C[N-]S(=O)(=O)c1cc(C(=O)N(C)CC(=O)[O-])c(Cl)cc1Cl ZINC000736440218 599852477 /nfs/dbraw/zinc/85/24/77/599852477.db2.gz LSSXOBTZUUXHBQ-UHFFFAOYSA-N -2 3 397.280 2.084 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)cccc1C(=O)[O-] ZINC000738305863 599868609 /nfs/dbraw/zinc/86/86/09/599868609.db2.gz RJIRNFVRWBWLFG-UHFFFAOYSA-N -3 3 379.390 2.348 20 0 GEADHL CC[C@@]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C)(C(=O)OC)c1ccccc1 ZINC000736923169 599938977 /nfs/dbraw/zinc/93/89/77/599938977.db2.gz FLWRSKJMXPAYMR-IBGZPJMESA-N -2 3 391.445 2.450 20 0 GEADHL CS(=O)(=O)[N-]c1cc(C(=O)OCc2ccc(F)cc2C(=O)[O-])ccc1F ZINC000738164199 600116751 /nfs/dbraw/zinc/11/67/51/600116751.db2.gz NYLSEQYDNSJTGX-UHFFFAOYSA-N -2 3 385.344 2.392 20 0 GEADHL C[C@@H](Sc1ccccc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1)C(=O)[O-] ZINC000736719703 600170417 /nfs/dbraw/zinc/17/04/17/600170417.db2.gz ZZKLJIAJHMKPFW-LLVKDONJSA-N -2 3 383.433 2.362 20 0 GEADHL C[C@@H](Sc1ccccc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000736719703 600170419 /nfs/dbraw/zinc/17/04/19/600170419.db2.gz ZZKLJIAJHMKPFW-LLVKDONJSA-N -2 3 383.433 2.362 20 0 GEADHL CCOc1ccc(C[C@H](CNC(=O)c2nnc3ccccc3c2[O-])C(=O)[O-])cc1 ZINC000737205600 600360663 /nfs/dbraw/zinc/36/06/63/600360663.db2.gz NANVHCPPISJJGS-CQSZACIVSA-N -2 3 395.415 2.407 20 0 GEADHL C[C@H]1COCCN1c1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000265602099 600395734 /nfs/dbraw/zinc/39/57/34/600395734.db2.gz DTAWUKBCLRPFNQ-ZDUSSCGKSA-N -2 3 376.434 2.411 20 0 GEADHL CCOc1ccc(C[C@H](C[N-]S(=O)(=O)c2cccnc2Cl)C(=O)[O-])cc1 ZINC000737204858 600443716 /nfs/dbraw/zinc/44/37/16/600443716.db2.gz AQOMERKXSHMDMT-CYBMUJFWSA-N -2 3 398.868 2.356 20 0 GEADHL Cc1ccc(C(=O)NCCC(=O)O[C@H](C(=O)[O-])c2ccc(F)cc2)c([O-])c1 ZINC000738515564 600455085 /nfs/dbraw/zinc/45/50/85/600455085.db2.gz ZEBQTUUVFUYUHZ-KRWDZBQOSA-N -2 3 375.352 2.329 20 0 GEADHL O=C([O-])CCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1 ZINC000739687809 600489851 /nfs/dbraw/zinc/48/98/51/600489851.db2.gz WYEYTWFZFDRTIE-UHFFFAOYSA-N -2 3 390.417 2.226 20 0 GEADHL O=C([O-])CCCOc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000739686361 600504845 /nfs/dbraw/zinc/50/48/45/600504845.db2.gz JVPGAXSBXMJOSQ-UHFFFAOYSA-N -2 3 383.360 2.458 20 0 GEADHL CS(=O)(=O)c1ccc(C(=O)[N-]c2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)o1 ZINC000738175989 600552700 /nfs/dbraw/zinc/55/27/00/600552700.db2.gz SVNNYGJCQZCAAN-UHFFFAOYSA-N -2 3 381.391 2.085 20 0 GEADHL COCCOc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c(C)c1 ZINC000267218575 600626360 /nfs/dbraw/zinc/62/63/60/600626360.db2.gz UFZLRWIOGOWCPZ-UHFFFAOYSA-N -2 3 379.434 2.448 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCCCO2)c(F)cc1Br ZINC000740088355 600634214 /nfs/dbraw/zinc/63/42/14/600634214.db2.gz UAZFNAZMRUVQET-MRVPVSSYSA-N -2 3 396.234 2.134 20 0 GEADHL Cc1ccc(C(=O)NCCC(=O)O[C@@H](C(=O)[O-])c2ccccc2F)c([O-])c1 ZINC000832911620 600655766 /nfs/dbraw/zinc/65/57/66/600655766.db2.gz HSZVYGRFENPGGM-QGZVFWFLSA-N -2 3 375.352 2.329 20 0 GEADHL COC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000737638243 600894467 /nfs/dbraw/zinc/89/44/67/600894467.db2.gz PAYWNESYQHNSDD-UHFFFAOYSA-N -2 3 378.406 2.350 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CC3)cc1C(=O)[O-] ZINC000525007038 600897750 /nfs/dbraw/zinc/89/77/50/600897750.db2.gz MKYSNMLMEJZXFU-UHFFFAOYSA-N -2 3 376.390 2.079 20 0 GEADHL O=C([O-])CC1(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CCCCC1 ZINC000767059010 601187555 /nfs/dbraw/zinc/18/75/55/601187555.db2.gz WIDKVLLULDQTGA-UHFFFAOYSA-N -2 3 398.456 2.174 20 0 GEADHL Cc1oc(S(=O)(=O)[N-]Cc2ccc(-n3ccnc3)c(F)c2)cc1C(=O)[O-] ZINC000833027850 601218671 /nfs/dbraw/zinc/21/86/71/601218671.db2.gz ZACDQVQJWZUZPZ-UHFFFAOYSA-N -2 3 379.369 2.090 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2cccc(N3CCCC3=O)c2)cc1C(=O)[O-] ZINC000833027645 601219142 /nfs/dbraw/zinc/21/91/42/601219142.db2.gz IEXZKYFJQSNZAF-LLVKDONJSA-N -2 3 392.433 2.453 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2ccc(N3CCCC3=O)cc2)cc1C(=O)[O-] ZINC000833027716 601219274 /nfs/dbraw/zinc/21/92/74/601219274.db2.gz IWBJTAXNJDMKAD-NSHDSACASA-N -2 3 392.433 2.453 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)CCc2ccc3c(c2)OCO3)cc1C(=O)[O-] ZINC000833029194 601219606 /nfs/dbraw/zinc/21/96/06/601219606.db2.gz ZEPHJIYFZIKHMB-JTQLQIEISA-N -2 3 381.406 2.315 20 0 GEADHL CC[C@@](C)([N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl)C(=O)[O-] ZINC000828693390 601231273 /nfs/dbraw/zinc/23/12/73/601231273.db2.gz VXIPVFCWWNVGJP-CYBMUJFWSA-N -2 3 384.237 2.312 20 0 GEADHL O=C([O-])CC1([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CCOCC1 ZINC000579118784 601270872 /nfs/dbraw/zinc/27/08/72/601270872.db2.gz IAVHXZBEYCXILO-UHFFFAOYSA-N -2 3 382.463 2.112 20 0 GEADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1CO ZINC000830084489 601327696 /nfs/dbraw/zinc/32/76/96/601327696.db2.gz HGRKLQCTBZTUMZ-BJMVGYQFSA-N -2 3 377.418 2.476 20 0 GEADHL COc1cc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cc(C(=O)[O-])c1OC ZINC000438719542 601334269 /nfs/dbraw/zinc/33/42/69/601334269.db2.gz UFYHYRZTHHONJJ-UHFFFAOYSA-N -3 3 395.389 2.209 20 0 GEADHL C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C(=O)[O-])c2cccc(Cl)c2)c(C)o1 ZINC000831033839 601358161 /nfs/dbraw/zinc/35/81/61/601358161.db2.gz GIJQAVPDQMUQKU-ZDUSSCGKSA-N -2 3 387.797 2.132 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)NCC2(C(=O)[O-])CCCC2)cc1OC ZINC000830136904 601406707 /nfs/dbraw/zinc/40/67/07/601406707.db2.gz NUJAFFKQONQQGW-UHFFFAOYSA-N -2 3 399.469 2.223 20 0 GEADHL C[C@@H]([N-]S(=O)(=O)CC1(CC(=O)[O-])CC1)c1nc(-c2cccc(F)c2)no1 ZINC000827741481 601518929 /nfs/dbraw/zinc/51/89/29/601518929.db2.gz NCUSRLQXDJGNON-SNVBAGLBSA-N -2 3 383.401 2.111 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1OC ZINC000830136830 601526104 /nfs/dbraw/zinc/52/61/04/601526104.db2.gz KJIDNWUYPNRNIV-UHFFFAOYSA-N -2 3 396.425 2.138 20 0 GEADHL CCOC(=O)c1sc2[n-]c([C@@H](C)N3CC[C@@](F)(C(=O)[O-])C3)nc(=O)c2c1C ZINC000829901784 601552613 /nfs/dbraw/zinc/55/26/13/601552613.db2.gz RROJGTZRHBZVDE-XLFHBGCDSA-N -2 3 397.428 2.029 20 0 GEADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2CC(=O)[O-])ccc1F ZINC000737641533 601615453 /nfs/dbraw/zinc/61/54/53/601615453.db2.gz SGQRNMVZORKDDQ-UHFFFAOYSA-N -2 3 394.424 2.392 20 0 GEADHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cccn(CC(F)(F)F)c2=O)c1 ZINC000756797727 601617887 /nfs/dbraw/zinc/61/78/87/601617887.db2.gz DNWRYNWBSGHPCZ-UHFFFAOYSA-N -2 3 394.302 2.049 20 0 GEADHL C[C@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C[C@@H]1C(=O)[O-] ZINC000828388401 601758428 /nfs/dbraw/zinc/75/84/28/601758428.db2.gz YFYMCQQYTWEZQK-KWQFWETISA-N -2 3 379.210 2.083 20 0 GEADHL COC[C@](C)([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000328561201 601804428 /nfs/dbraw/zinc/80/44/28/601804428.db2.gz GHNONIUBCRPSRH-NSHDSACASA-N -2 3 375.752 2.127 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2cnn(Cc3ccccc3)c2)c1-c1nnn[n-]1 ZINC000826303793 607534163 /nfs/dbraw/zinc/53/41/63/607534163.db2.gz FQEMNNULFDUNGR-UHFFFAOYSA-N -2 3 395.448 2.221 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2cnn(Cc3ccccc3)c2)c1-c1nn[n-]n1 ZINC000826303793 607534164 /nfs/dbraw/zinc/53/41/64/607534164.db2.gz FQEMNNULFDUNGR-UHFFFAOYSA-N -2 3 395.448 2.221 20 0 GEADHL C[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)[C@H]1CCCN(C(=O)[O-])C1 ZINC000739040131 601990987 /nfs/dbraw/zinc/99/09/87/601990987.db2.gz QSVZRLQZYFFSJL-IUCAKERBSA-N -2 3 382.269 2.445 20 0 GEADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000821160049 602057562 /nfs/dbraw/zinc/05/75/62/602057562.db2.gz ROGAXGKJDPDLSS-UHFFFAOYSA-N -2 3 392.415 2.088 20 0 GEADHL CS[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)C1 ZINC000230954662 602160101 /nfs/dbraw/zinc/16/01/01/602160101.db2.gz FFJZPWQWZQJNHU-BQBZGAKWSA-N -2 3 384.273 2.303 20 0 GEADHL CO[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C(C)(C)C ZINC000761319788 602160799 /nfs/dbraw/zinc/16/07/99/602160799.db2.gz PBMYIZRLYPSFJX-VIFPVBQESA-N -2 3 384.248 2.080 20 0 GEADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C1CCOCC1 ZINC000828988879 602162425 /nfs/dbraw/zinc/16/24/25/602162425.db2.gz ISVTVOLAPSZXAY-VIFPVBQESA-N -2 3 396.259 2.224 20 0 GEADHL O=C([O-])NCCCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000740656365 602226883 /nfs/dbraw/zinc/22/68/83/602226883.db2.gz YGNFQWDYWXEJDP-UHFFFAOYSA-N -2 3 396.396 2.441 20 0 GEADHL O=C([O-])NCCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000740655347 602226989 /nfs/dbraw/zinc/22/69/89/602226989.db2.gz GUKCQCUUGHOCBX-UHFFFAOYSA-N -2 3 396.396 2.441 20 0 GEADHL O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc(Br)c([O-])c1 ZINC000826451124 607569582 /nfs/dbraw/zinc/56/95/82/607569582.db2.gz QYBYQKKESVBETR-UHFFFAOYSA-N -2 3 376.170 2.293 20 0 GEADHL O=C([O-])Nc1ccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000740709627 602504713 /nfs/dbraw/zinc/50/47/13/602504713.db2.gz ORTYVZWUQUHJPI-UHFFFAOYSA-N -2 3 389.842 2.408 20 0 GEADHL CCC(CC)[C@@H](CNC(=O)c1ccc(NC(=O)[O-])cc1[O-])N1CCOCC1 ZINC000739254154 602844769 /nfs/dbraw/zinc/84/47/69/602844769.db2.gz WRJBWEXFMKUYMO-MRXNPFEDSA-N -2 3 379.457 2.349 20 0 GEADHL O=C([O-])NC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000832483623 603125828 /nfs/dbraw/zinc/12/58/28/603125828.db2.gz SOZSKTVQHFKCRO-HTQZYQBOSA-N -2 3 383.289 2.225 20 0 GEADHL O=C([O-])N[C@@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1 ZINC000740533595 603307298 /nfs/dbraw/zinc/30/72/98/603307298.db2.gz QUDCEJAIOURNBO-CQSZACIVSA-N -2 3 386.799 2.145 20 0 GEADHL O=C([O-])N[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1 ZINC000740533595 603307302 /nfs/dbraw/zinc/30/73/02/603307302.db2.gz QUDCEJAIOURNBO-CQSZACIVSA-N -2 3 386.799 2.145 20 0 GEADHL Cc1cc(S(=O)(=O)[N-][C@@H](CNC(=O)[O-])C2CC2)sc1Br ZINC000830133583 603508675 /nfs/dbraw/zinc/50/86/75/603508675.db2.gz WOPUOBXXFDASNZ-QMMMGPOBSA-N -2 3 383.289 2.144 20 0 GEADHL COc1ccc(CNC(=O)c2cc(F)cc(Cl)c2[O-])cc1-c1nnn[n-]1 ZINC000826200734 607635695 /nfs/dbraw/zinc/63/56/95/607635695.db2.gz GMSOVNNCXPIKHI-UHFFFAOYSA-N -2 3 377.763 2.303 20 0 GEADHL COc1ccc(CNC(=O)c2cc(F)cc(Cl)c2[O-])cc1-c1nn[n-]n1 ZINC000826200734 607635696 /nfs/dbraw/zinc/63/56/96/607635696.db2.gz GMSOVNNCXPIKHI-UHFFFAOYSA-N -2 3 377.763 2.303 20 0 GEADHL O=C([O-])N1CCC[C@@H]1C(=O)Nc1cc(I)ccc1[O-] ZINC000831753259 603887115 /nfs/dbraw/zinc/88/71/15/603887115.db2.gz SKGXEDHGKIDWPM-SECBINFHSA-N -2 3 376.150 2.078 20 0 GEADHL O=C([O-])NCc1nc(C(=O)[N-]c2ncn(Cc3ccc(Cl)cc3)n2)cs1 ZINC000832735348 603962798 /nfs/dbraw/zinc/96/27/98/603962798.db2.gz WSEYYQFQEXJKEF-UHFFFAOYSA-N -2 3 392.828 2.456 20 0 GEADHL Cn1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cccc(Cl)c2)nc1Cl ZINC000776476269 604407981 /nfs/dbraw/zinc/40/79/81/604407981.db2.gz KCMVKXAAZNHBKW-SNVBAGLBSA-N -2 3 378.237 2.221 20 0 GEADHL Cc1cc(C[C@@H](C)[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)n(-c2ccccc2)n1 ZINC000832883992 604812216 /nfs/dbraw/zinc/81/22/16/604812216.db2.gz RYTCHXROPZNBFK-CYBMUJFWSA-N -2 3 389.433 2.381 20 0 GEADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1ccccc1 ZINC000760098756 605015211 /nfs/dbraw/zinc/01/52/11/605015211.db2.gz DJGJJKUZQBKLEW-AWEZNQCLSA-N -2 3 381.381 2.107 20 0 GEADHL CCc1nc(C2([N-]S(=O)(=O)Cc3ccccc3C(=O)[O-])CCCC2)no1 ZINC000829176499 605042793 /nfs/dbraw/zinc/04/27/93/605042793.db2.gz SMYKAZLYLLZMFM-UHFFFAOYSA-N -2 3 379.438 2.219 20 0 GEADHL CN(C(=O)[O-])[C@H]1CCCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000827822278 605190333 /nfs/dbraw/zinc/19/03/33/605190333.db2.gz JUYOOYFPEFMGGS-NSHDSACASA-N -2 3 386.246 2.439 20 0 GEADHL COc1cc(C(=O)N2CCC([C@@H]3CCCN3C(=O)[O-])CC2)cc(OC)c1[O-] ZINC000833885900 605905592 /nfs/dbraw/zinc/90/55/92/605905592.db2.gz OZWMMWNGCNHYJU-AWEZNQCLSA-N -2 3 378.425 2.404 20 0 GEADHL CC1(C)C(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1(C)C ZINC000820586541 606134784 /nfs/dbraw/zinc/13/47/84/606134784.db2.gz WYHVOBZKBLLUES-UHFFFAOYSA-N -2 3 383.861 2.007 20 0 GEADHL CC1(C)C(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1(C)C ZINC000820586541 606134785 /nfs/dbraw/zinc/13/47/85/606134785.db2.gz WYHVOBZKBLLUES-UHFFFAOYSA-N -2 3 383.861 2.007 20 0 GEADHL CC(C)c1nc(S(=O)(=O)[N-]c2cc(-c3nnn[n-]3)ccc2OC(F)F)c[nH]1 ZINC000820202724 606162670 /nfs/dbraw/zinc/16/26/70/606162670.db2.gz KIDZAMBHVSTZID-UHFFFAOYSA-N -2 3 399.383 2.115 20 0 GEADHL CC(C)c1nc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC(F)F)c[nH]1 ZINC000820202724 606162671 /nfs/dbraw/zinc/16/26/71/606162671.db2.gz KIDZAMBHVSTZID-UHFFFAOYSA-N -2 3 399.383 2.115 20 0 GEADHL O=C(CC1CCCCCC1)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000822941295 606177070 /nfs/dbraw/zinc/17/70/70/606177070.db2.gz TWJUWJCSWWOFTJ-UHFFFAOYSA-N -2 3 377.470 2.173 20 0 GEADHL O=C(CC1CCCCCC1)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000822941295 606177071 /nfs/dbraw/zinc/17/70/71/606177071.db2.gz TWJUWJCSWWOFTJ-UHFFFAOYSA-N -2 3 377.470 2.173 20 0 GEADHL COc1ccc(C)nc1[N-]S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000821782774 606180711 /nfs/dbraw/zinc/18/07/11/606180711.db2.gz NOKCXICTLBTORC-UHFFFAOYSA-N -2 3 380.817 2.033 20 0 GEADHL Cc1ccc(CCCC(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000822235975 606206268 /nfs/dbraw/zinc/20/62/68/606206268.db2.gz DZUTZFGIMAIOSB-UHFFFAOYSA-N -2 3 391.478 2.064 20 0 GEADHL Cc1ccc(CCCC(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000822235975 606206270 /nfs/dbraw/zinc/20/62/70/606206270.db2.gz DZUTZFGIMAIOSB-UHFFFAOYSA-N -2 3 391.478 2.064 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000822224022 606468709 /nfs/dbraw/zinc/46/87/09/606468709.db2.gz STWKWXFWFLEORN-UHFFFAOYSA-N -2 3 379.471 2.125 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000822224022 606468710 /nfs/dbraw/zinc/46/87/10/606468710.db2.gz STWKWXFWFLEORN-UHFFFAOYSA-N -2 3 379.471 2.125 20 0 GEADHL CCCCCC(C)(C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821043253 606612555 /nfs/dbraw/zinc/61/25/55/606612555.db2.gz NRGSARCPRWEZSI-UHFFFAOYSA-N -2 3 379.486 2.419 20 0 GEADHL CCCCCC(C)(C)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821043253 606612556 /nfs/dbraw/zinc/61/25/56/606612556.db2.gz NRGSARCPRWEZSI-UHFFFAOYSA-N -2 3 379.486 2.419 20 0 GEADHL C[C@H]1CCC(=CC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820678141 606627077 /nfs/dbraw/zinc/62/70/77/606627077.db2.gz SUZLPODQCDTBBO-HZAKCSEPSA-N -2 3 381.845 2.071 20 0 GEADHL C[C@H]1CCC(=CC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820678141 606627079 /nfs/dbraw/zinc/62/70/79/606627079.db2.gz SUZLPODQCDTBBO-HZAKCSEPSA-N -2 3 381.845 2.071 20 0 GEADHL C[C@@H]1CCC(=CC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820678147 606627410 /nfs/dbraw/zinc/62/74/10/606627410.db2.gz SUZLPODQCDTBBO-YIXGCBLDSA-N -2 3 381.845 2.071 20 0 GEADHL C[C@@H]1CCC(=CC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820678147 606627411 /nfs/dbraw/zinc/62/74/11/606627411.db2.gz SUZLPODQCDTBBO-YIXGCBLDSA-N -2 3 381.845 2.071 20 0 GEADHL CC(C)(C)n1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cccc3ncccc32)n1 ZINC000819971329 606706560 /nfs/dbraw/zinc/70/65/60/606706560.db2.gz IPFTWNHUULDHCX-UHFFFAOYSA-N -2 3 398.452 2.167 20 0 GEADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000821589601 606751110 /nfs/dbraw/zinc/75/11/10/606751110.db2.gz VNNVPGYBZQRUAV-UHFFFAOYSA-N -2 3 378.845 2.387 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)c1ccc2sccc2c1 ZINC000823284454 606759475 /nfs/dbraw/zinc/75/94/75/606759475.db2.gz HKTNRZIXFMTUJC-UHFFFAOYSA-N -2 3 399.457 2.341 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)c1ccc2sccc2c1 ZINC000823284454 606759477 /nfs/dbraw/zinc/75/94/77/606759477.db2.gz HKTNRZIXFMTUJC-UHFFFAOYSA-N -2 3 399.457 2.341 20 0 GEADHL CC(C)Oc1ncccc1[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000820178511 606865571 /nfs/dbraw/zinc/86/55/71/606865571.db2.gz SEMJQSJCJAMNJT-UHFFFAOYSA-N -2 3 396.379 2.128 20 0 GEADHL CC(C)Oc1ncccc1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820178511 606865573 /nfs/dbraw/zinc/86/55/73/606865573.db2.gz SEMJQSJCJAMNJT-UHFFFAOYSA-N -2 3 396.379 2.128 20 0 GEADHL O=S(=O)([N-][C@H]1CSc2ccccc21)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823573661 606892730 /nfs/dbraw/zinc/89/27/30/606892730.db2.gz YJEOIPFYVYJTSA-LBPRGKRZSA-N -2 3 395.416 2.270 20 0 GEADHL C[C@]1(c2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820634189 606893851 /nfs/dbraw/zinc/89/38/51/606893851.db2.gz FVBUCJKFSHZMIW-WMLDXEAASA-N -2 3 391.403 2.153 20 0 GEADHL CC(C)CCn1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)n1 ZINC000820081824 607001914 /nfs/dbraw/zinc/00/19/14/607001914.db2.gz XIWCZOCBLQVRPT-UHFFFAOYSA-N -2 3 397.411 2.188 20 0 GEADHL CC(C)CCn1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC000820081824 607001916 /nfs/dbraw/zinc/00/19/16/607001916.db2.gz XIWCZOCBLQVRPT-UHFFFAOYSA-N -2 3 397.411 2.188 20 0 GEADHL Cc1cc(S(=O)(=O)N(C)c2cccc(-c3nnn[n-]3)c2)cc(C(=O)[O-])c1C ZINC000822211992 607155632 /nfs/dbraw/zinc/15/56/32/607155632.db2.gz XLWYTOKAOJNERK-UHFFFAOYSA-N -2 3 387.421 2.007 20 0 GEADHL Cc1cc(S(=O)(=O)N(C)c2cccc(-c3nn[n-]n3)c2)cc(C(=O)[O-])c1C ZINC000822211992 607155634 /nfs/dbraw/zinc/15/56/34/607155634.db2.gz XLWYTOKAOJNERK-UHFFFAOYSA-N -2 3 387.421 2.007 20 0 GEADHL CC1(C)CCC(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820590763 607184573 /nfs/dbraw/zinc/18/45/73/607184573.db2.gz ZJIHSUNUIUXBOY-UHFFFAOYSA-N -2 3 377.470 2.029 20 0 GEADHL CC1(C)CCC(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820590763 607184574 /nfs/dbraw/zinc/18/45/74/607184574.db2.gz ZJIHSUNUIUXBOY-UHFFFAOYSA-N -2 3 377.470 2.029 20 0 GEADHL CC1(C)CCCC[C@@H]1CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000824802481 607777461 /nfs/dbraw/zinc/77/74/61/607777461.db2.gz NLVWDMVWWSMTLU-OAHLLOKOSA-N -2 3 391.497 2.419 20 0 GEADHL CC1(C)CCCC[C@@H]1CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000824802481 607777462 /nfs/dbraw/zinc/77/74/62/607777462.db2.gz NLVWDMVWWSMTLU-OAHLLOKOSA-N -2 3 391.497 2.419 20 0 GEADHL CC(C)c1cccc(S(=O)(=O)[N-]C(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824353163 607806250 /nfs/dbraw/zinc/80/62/50/607806250.db2.gz ZDANQFZJSOSILE-UHFFFAOYSA-N -2 3 399.476 2.428 20 0 GEADHL CC(C)c1cccc(S(=O)(=O)[N-]C(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824353163 607806251 /nfs/dbraw/zinc/80/62/51/607806251.db2.gz ZDANQFZJSOSILE-UHFFFAOYSA-N -2 3 399.476 2.428 20 0 GEADHL CCc1c([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)cnn1CC(C)C ZINC000825694560 607933436 /nfs/dbraw/zinc/93/34/36/607933436.db2.gz ULSIICWCGQRFEH-UHFFFAOYSA-N -2 3 375.458 2.082 20 0 GEADHL CCc1c([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cnn1CC(C)C ZINC000825694560 607933437 /nfs/dbraw/zinc/93/34/37/607933437.db2.gz ULSIICWCGQRFEH-UHFFFAOYSA-N -2 3 375.458 2.082 20 0 GEADHL O=S(=O)([N-]c1ccc(C(F)(F)F)nc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826492675 608054716 /nfs/dbraw/zinc/05/47/16/608054716.db2.gz XLLOKYFKRZXUHF-UHFFFAOYSA-N -2 3 388.306 2.220 20 0 GEADHL O=S(=O)([N-]c1ccc(C(F)(F)F)nc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826492675 608054717 /nfs/dbraw/zinc/05/47/17/608054717.db2.gz XLLOKYFKRZXUHF-UHFFFAOYSA-N -2 3 388.306 2.220 20 0 GEADHL CCCC(=CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)CCC ZINC000825220627 608197200 /nfs/dbraw/zinc/19/72/00/608197200.db2.gz VRWHOLLPJCWJIJ-UHFFFAOYSA-N -2 3 377.470 2.339 20 0 GEADHL CCCC(=CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)CCC ZINC000825220627 608197201 /nfs/dbraw/zinc/19/72/01/608197201.db2.gz VRWHOLLPJCWJIJ-UHFFFAOYSA-N -2 3 377.470 2.339 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)[C@@H](c1ccccc1)C1CC1 ZINC000826449839 608247660 /nfs/dbraw/zinc/24/76/60/608247660.db2.gz LSEIKSPXDWYISR-KRWDZBQOSA-N -2 3 397.460 2.007 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)[C@@H](c1ccccc1)C1CC1 ZINC000826449839 608247662 /nfs/dbraw/zinc/24/76/62/608247662.db2.gz LSEIKSPXDWYISR-KRWDZBQOSA-N -2 3 397.460 2.007 20 0 GEADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1c(Cl)ccnc1Cl ZINC000826492362 608351509 /nfs/dbraw/zinc/35/15/09/608351509.db2.gz GYTQCIYOPIMPGE-UHFFFAOYSA-N -2 3 387.208 2.075 20 0 GEADHL CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000824025149 609467868 /nfs/dbraw/zinc/46/78/68/609467868.db2.gz VUYAHEFPKJCFQR-UHFFFAOYSA-N -2 3 397.338 2.287 20 0 GEADHL CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824025149 609467870 /nfs/dbraw/zinc/46/78/70/609467870.db2.gz VUYAHEFPKJCFQR-UHFFFAOYSA-N -2 3 397.338 2.287 20 0 GEADHL CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000823999856 609522933 /nfs/dbraw/zinc/52/29/33/609522933.db2.gz JPWMNUQPVLHVCY-UHFFFAOYSA-N -2 3 392.828 2.279 20 0 GEADHL CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000823999856 609522934 /nfs/dbraw/zinc/52/29/34/609522934.db2.gz JPWMNUQPVLHVCY-UHFFFAOYSA-N -2 3 392.828 2.279 20 0 GEADHL COc1ncc(C)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826222470 609528217 /nfs/dbraw/zinc/52/82/17/609528217.db2.gz XZTYXEPWQKCLMS-UHFFFAOYSA-N -2 3 380.817 2.033 20 0 GEADHL Cn1cc(S(=O)(=O)[N-]c2cc(F)c(OC(F)F)cc2F)cc1C(=O)[O-] ZINC000447271778 650004507 /nfs/dbraw/zinc/00/45/07/650004507.db2.gz BIDFYBLJMNOCCN-UHFFFAOYSA-N -2 3 382.291 2.404 20 0 GEADHL Cc1noc(=NC([O-])=CSc2nnc(-c3cccc(Br)c3)o2)[n-]1 ZINC000513266398 650560717 /nfs/dbraw/zinc/56/07/17/650560717.db2.gz JPCCGGZKDIFLSV-UHFFFAOYSA-N -2 3 396.226 2.343 20 0 GEADHL Cc1c(Cl)cc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2F)cc1C(=O)[O-] ZINC000479261784 650600392 /nfs/dbraw/zinc/60/03/92/650600392.db2.gz VVPIVEQEQYDQPT-UHFFFAOYSA-N -2 3 386.788 2.385 20 0 GEADHL O=C([O-])c1coc(C[N-]S(=O)(=O)c2cc(F)ccc2Br)c1 ZINC000527200143 650670645 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O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3O)ccc21 ZINC000543650552 650917069 /nfs/dbraw/zinc/91/70/69/650917069.db2.gz KGDNVUIMIGDWOX-UHFFFAOYSA-N -2 3 387.200 2.383 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-][N-]C(=O)c2ccc3ccccc3n2)c(Cl)n1 ZINC000184047356 645008328 /nfs/dbraw/zinc/00/83/28/645008328.db2.gz LPBNUETUZQDDRU-UHFFFAOYSA-N -2 3 376.825 2.215 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000547600033 651038482 /nfs/dbraw/zinc/03/84/82/651038482.db2.gz PMKGIRIUEOOBBS-CYBMUJFWSA-N -2 3 388.760 2.492 20 0 GEADHL Cc1ncc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccccc2Br)s1 ZINC000547872748 651049178 /nfs/dbraw/zinc/04/91/78/651049178.db2.gz OEXOUZNECJYHCI-NSHDSACASA-N -2 3 391.268 2.318 20 0 GEADHL COc1ccccc1[C@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)C(=O)[O-] ZINC000547872320 651049198 /nfs/dbraw/zinc/04/91/98/651049198.db2.gz CIGCVILKOFINOP-AWEZNQCLSA-N -2 3 375.324 2.217 20 0 GEADHL Cc1cc(S(=O)(=O)[N-][C@H](Cc2ccco2)C(=O)[O-])sc1Br ZINC000547885125 651050785 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2.199 20 0 GEADHL CCOCC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000314117430 647283995 /nfs/dbraw/zinc/28/39/95/647283995.db2.gz GTYKSIPVDXDTPY-UHFFFAOYSA-N -2 3 384.248 2.081 20 0 GEADHL CCOC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CCCC1 ZINC000319631301 647290590 /nfs/dbraw/zinc/29/05/90/647290590.db2.gz BMNPRTMDCJPKFX-UHFFFAOYSA-N -2 3 396.259 2.368 20 0 GEADHL C[C@@H](C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)CC(F)(F)F ZINC000416610678 648186914 /nfs/dbraw/zinc/18/69/14/648186914.db2.gz XEPDPSFMCMPZNI-MRVPVSSYSA-N -2 3 392.396 2.064 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)Cc1c(F)cccc1F)c1c(F)cccc1F ZINC000548267928 651074954 /nfs/dbraw/zinc/07/49/54/651074954.db2.gz SXUHOADPJSTUNN-CQSZACIVSA-N -2 3 377.315 2.488 20 0 GEADHL O=C([O-])[C@H](Cc1ccco1)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000548556709 651080115 /nfs/dbraw/zinc/08/01/15/651080115.db2.gz OWKAMQUILFJWFS-NSHDSACASA-N -2 3 392.202 2.155 20 0 GEADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](C)CCC[C@H](C)C(=O)[O-] ZINC000548590811 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392.405 2.146 20 0 GEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@H](C)Cc1ccccn1 ZINC000656179826 532609346 /nfs/dbraw/zinc/60/93/46/532609346.db2.gz ATUYZXJSZJGZKY-SNVBAGLBSA-N -2 3 384.841 2.351 20 0 GEADHL O=C(NCCNC(=O)c1ccc(Br)cc1[O-])c1ccc([O-])cc1 ZINC000436599495 532640102 /nfs/dbraw/zinc/64/01/02/532640102.db2.gz BKUHBHZZJACREY-UHFFFAOYSA-N -2 3 379.210 2.020 20 0 GEADHL COc1cc(F)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccsc2)cc1OC ZINC000298314301 532641587 /nfs/dbraw/zinc/64/15/87/532641587.db2.gz PUDAPVSVRYDIKD-NSHDSACASA-N -2 3 389.426 2.399 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(=O)[O-])c(Cl)c1 ZINC000567885503 532669150 /nfs/dbraw/zinc/66/91/50/532669150.db2.gz WUABOKKMPGVJTD-CMPLNLGQSA-N -2 3 375.830 2.048 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2scnc2C2CC2)cc1F ZINC000534974470 532675336 /nfs/dbraw/zinc/67/53/36/532675336.db2.gz PXEPMCRVACTKBV-UHFFFAOYSA-N -2 3 391.471 2.332 20 0 GEADHL O=C(NCc1ccc([O-])c(Br)c1)c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000488671061 532701426 /nfs/dbraw/zinc/70/14/26/532701426.db2.gz GYVKRVZTOXWMHQ-UHFFFAOYSA-N -2 3 390.193 2.428 20 0 GEADHL O=C([O-])c1ccc(CC[N-]S(=O)(=O)c2cncc(Br)c2)cc1 ZINC000387043227 532704607 /nfs/dbraw/zinc/70/46/07/532704607.db2.gz ONGMUUFFZZIGOM-UHFFFAOYSA-N -2 3 385.239 2.063 20 0 GEADHL Cn1cc([C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)C(=O)[O-])cn1 ZINC000569717641 532705780 /nfs/dbraw/zinc/70/57/80/532705780.db2.gz UIWCMBWZUPFTIL-NSHDSACASA-N -2 3 397.762 2.197 20 0 GEADHL Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1sccc1Br)C(=O)[O-] ZINC000573267131 532710248 /nfs/dbraw/zinc/71/02/48/532710248.db2.gz IZGXMGOXMJWIKV-SSDOTTSWSA-N -2 3 397.297 2.380 20 0 GEADHL O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccc([O-])c(Cl)c1 ZINC000442979489 532737995 /nfs/dbraw/zinc/73/79/95/532737995.db2.gz PCFBUFHZRIOBJM-UHFFFAOYSA-N -2 3 390.795 2.032 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C)[C@@H](C(=O)[O-])C(C)C)cc1Cl ZINC000583747832 532766750 /nfs/dbraw/zinc/76/67/50/532766750.db2.gz GDRXKUYFGYJPFB-RTHLEPHNSA-N -2 3 394.852 2.461 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]Cc2cnc(C)[n-]c2=O)sc1Br ZINC000542241484 532768099 /nfs/dbraw/zinc/76/80/99/532768099.db2.gz QLUHBCRDJDUYNB-UHFFFAOYSA-N -2 3 378.273 2.102 20 0 GEADHL C[C@H]1CC[C@](C[N-]S(=O)(=O)c2ccc(Br)cn2)(CC(=O)[O-])C1 ZINC000547569539 532786623 /nfs/dbraw/zinc/78/66/23/532786623.db2.gz MRHCRROQXXXQLR-IINYFYTJSA-N -2 3 391.287 2.404 20 0 GEADHL N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](CC(=O)c1cccs1)C(=O)[O-] ZINC000547569906 532786677 /nfs/dbraw/zinc/78/66/77/532786677.db2.gz VPWUEWBUNPSPIR-LLVKDONJSA-N -2 3 398.849 2.278 20 0 GEADHL CCc1nc(C[N-]S(=O)(=O)c2ccc(Br)o2)ccc1C(=O)[O-] ZINC000547565526 532786974 /nfs/dbraw/zinc/78/69/74/532786974.db2.gz NAAOSDHSEAEWTR-UHFFFAOYSA-N -2 3 389.227 2.176 20 0 GEADHL CC[C@@](C)(C[N-]S(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000547568740 532787006 /nfs/dbraw/zinc/78/70/06/532787006.db2.gz NUTYZHFMNHGSEM-LBPRGKRZSA-N -2 3 395.231 2.137 20 0 GEADHL CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cncc(Br)c1)C(=O)[O-] ZINC000547609617 532787834 /nfs/dbraw/zinc/78/78/34/532787834.db2.gz UENDUPSQQSBHGU-BXKDBHETSA-N -2 3 379.276 2.402 20 0 GEADHL Cc1cc(S(=O)(=O)[N-][C@@H](CC(=O)OC(C)(C)C)C(=O)[O-])sc1Cl ZINC000323052448 532788014 /nfs/dbraw/zinc/78/80/14/532788014.db2.gz HSKNNJFBIWEMIP-QMMMGPOBSA-N -2 3 383.875 2.173 20 0 GEADHL COCC[C@@H]([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000548205063 532789131 /nfs/dbraw/zinc/78/91/31/532789131.db2.gz CJNDTZHAOQTXNG-LLVKDONJSA-N -2 3 390.870 2.232 20 0 GEADHL C[C@@H]1[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)CCN1Cc1ccccc1 ZINC000287320075 532791029 /nfs/dbraw/zinc/79/10/29/532791029.db2.gz VCVYIHCEIOQSIY-DOMZBBRYSA-N -2 3 380.491 2.388 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(C)cn2)cc1F ZINC000270662116 532801219 /nfs/dbraw/zinc/80/12/19/532801219.db2.gz NTSKYSHZTDJKRM-UHFFFAOYSA-N -2 3 387.458 2.482 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)cc1F ZINC000288356635 532825074 /nfs/dbraw/zinc/82/50/74/532825074.db2.gz JHRONCQIXSZQDP-QMMMGPOBSA-N -2 3 392.396 2.207 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2c(C)ccnc2C)cc1F ZINC000414457480 532828129 /nfs/dbraw/zinc/82/81/29/532828129.db2.gz WGMAWHPQHSOSFO-UHFFFAOYSA-N -2 3 387.458 2.400 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CSCCS2)cc(F)c1Cl ZINC000273697473 532831755 /nfs/dbraw/zinc/83/17/55/532831755.db2.gz NAMUVSNRVLFQNY-ZETCQYMHSA-N -2 3 385.891 2.304 20 0 GEADHL C[C@@H]1CN(C2CC2)C[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000273731227 532832739 /nfs/dbraw/zinc/83/27/39/532832739.db2.gz NMVLGAKATJWIQW-OQPBUACISA-N -2 3 393.292 2.453 20 0 GEADHL CO[C@@H](C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br)C(C)C ZINC000273792917 532834523 /nfs/dbraw/zinc/83/45/23/532834523.db2.gz RTTMDSHOHRQCCT-QMMMGPOBSA-N -2 3 386.289 2.158 20 0 GEADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1ccc(F)cc1F ZINC000275012561 532861107 /nfs/dbraw/zinc/86/11/07/532861107.db2.gz NLOMFSJOHVLMSI-NSHDSACASA-N -2 3 393.799 2.154 20 0 GEADHL COc1ccc(Br)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C)c1 ZINC000275003105 532861367 /nfs/dbraw/zinc/86/13/67/532861367.db2.gz MBXHFKKYUZJWBU-LLVKDONJSA-N -2 3 380.260 2.235 20 0 GEADHL CCc1cc(=O)n2nc([N-]S(=O)(=O)c3ccc(C(C)(C)C)s3)[n-]c2n1 ZINC000289803810 532865327 /nfs/dbraw/zinc/86/53/27/532865327.db2.gz QNSXFSVSCUKYBO-UHFFFAOYSA-N -2 3 381.483 2.140 20 0 GEADHL CC(=O)NCc1ccc(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCCCC2)s1 ZINC000275121117 532865337 /nfs/dbraw/zinc/86/53/37/532865337.db2.gz TYORMDWKAYNULR-UHFFFAOYSA-N -2 3 388.511 2.088 20 0 GEADHL Cc1ccc(Br)c(C(=O)[O-])c1[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000275265493 532870699 /nfs/dbraw/zinc/87/06/99/532870699.db2.gz MSPLOBDMDDYSLU-VIFPVBQESA-N -2 3 378.244 2.376 20 0 GEADHL C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1)C(=O)[O-] ZINC000275287997 532871412 /nfs/dbraw/zinc/87/14/12/532871412.db2.gz SXIMZAAYEFOZJO-YPMHNXCESA-N -2 3 391.873 2.287 20 0 GEADHL CCO[C@H]1C[C@]([N-]S(=O)(=O)c2ccc(Cl)cc2F)(C(=O)[O-])C1(C)C ZINC000275564757 532878927 /nfs/dbraw/zinc/87/89/27/532878927.db2.gz FXFGFPBKSXRIGD-WFASDCNBSA-N -2 3 379.837 2.416 20 0 GEADHL CCO[C@@H]1C[C@@]([N-]S(=O)(=O)c2ccc(Cl)cc2F)(C(=O)[O-])C1(C)C ZINC000275564751 532878949 /nfs/dbraw/zinc/87/89/49/532878949.db2.gz FXFGFPBKSXRIGD-IUODEOHRSA-N -2 3 379.837 2.416 20 0 GEADHL Cc1nnsc1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000291939552 532910971 /nfs/dbraw/zinc/91/09/71/532910971.db2.gz PLDUFTOAUWFOSW-UHFFFAOYSA-N -2 3 381.357 2.042 20 0 GEADHL COc1cc(C)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1OC ZINC000737039306 598841498 /nfs/dbraw/zinc/84/14/98/598841498.db2.gz DJVYXODPMYDNBA-UHFFFAOYSA-N -2 3 393.400 2.132 20 0 GEADHL COc1cc(C)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000737039306 598841499 /nfs/dbraw/zinc/84/14/99/598841499.db2.gz DJVYXODPMYDNBA-UHFFFAOYSA-N -2 3 393.400 2.132 20 0 GEADHL O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)ccc1Cl ZINC000738211880 598844116 /nfs/dbraw/zinc/84/41/16/598844116.db2.gz ADMHVOBQTJCCGX-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)ccc1Cl ZINC000738211880 598844117 /nfs/dbraw/zinc/84/41/17/598844117.db2.gz ADMHVOBQTJCCGX-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL O=S(=O)([N-]c1cccc(-c2cnco2)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738342174 598844759 /nfs/dbraw/zinc/84/47/59/598844759.db2.gz NPVKOIMUFZNMOG-UHFFFAOYSA-N -2 3 386.368 2.462 20 0 GEADHL O=S(=O)([N-]c1cccc(-c2cnco2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738342174 598844760 /nfs/dbraw/zinc/84/47/60/598844760.db2.gz NPVKOIMUFZNMOG-UHFFFAOYSA-N -2 3 386.368 2.462 20 0 GEADHL O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000738213247 598845946 /nfs/dbraw/zinc/84/59/46/598845946.db2.gz GRQYVAPVGZLCLG-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000738213247 598845948 /nfs/dbraw/zinc/84/59/48/598845948.db2.gz GRQYVAPVGZLCLG-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL Cn1ccnc1-c1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000737615779 598909793 /nfs/dbraw/zinc/90/97/93/598909793.db2.gz LLFNRAMLZNWKKD-UHFFFAOYSA-N -2 3 399.411 2.207 20 0 GEADHL Cn1ccnc1-c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000737615779 598909795 /nfs/dbraw/zinc/90/97/95/598909795.db2.gz LLFNRAMLZNWKKD-UHFFFAOYSA-N -2 3 399.411 2.207 20 0 GEADHL COC(=O)c1sc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1C ZINC000736956278 598946651 /nfs/dbraw/zinc/94/66/51/598946651.db2.gz GHLBPHZVAWUVSS-UHFFFAOYSA-N -2 3 393.450 2.132 20 0 GEADHL CSc1ccsc1C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000737192433 598975718 /nfs/dbraw/zinc/97/57/18/598975718.db2.gz SWJHZNBVMALGFG-UHFFFAOYSA-N -2 3 395.491 2.077 20 0 GEADHL CSc1ccsc1C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000737192433 598975719 /nfs/dbraw/zinc/97/57/19/598975719.db2.gz SWJHZNBVMALGFG-UHFFFAOYSA-N -2 3 395.491 2.077 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCCc2ccccc21 ZINC000737297547 598975806 /nfs/dbraw/zinc/97/58/06/598975806.db2.gz BHLLVTKAMNSZAS-MRXNPFEDSA-N -2 3 397.460 2.100 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCCc2ccccc21 ZINC000737297547 598975808 /nfs/dbraw/zinc/97/58/08/598975808.db2.gz BHLLVTKAMNSZAS-MRXNPFEDSA-N -2 3 397.460 2.100 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1ccc(C(C)C)cc1 ZINC000737297935 598976294 /nfs/dbraw/zinc/97/62/94/598976294.db2.gz GMJUVHGKGCHSRL-UHFFFAOYSA-N -2 3 385.449 2.417 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1ccc(C(C)C)cc1 ZINC000737297935 598976296 /nfs/dbraw/zinc/97/62/96/598976296.db2.gz GMJUVHGKGCHSRL-UHFFFAOYSA-N -2 3 385.449 2.417 20 0 GEADHL CC(C)n1cc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC(F)F)cn1 ZINC000735961869 599096956 /nfs/dbraw/zinc/09/69/56/599096956.db2.gz VFTMMOOARKWDSK-UHFFFAOYSA-N -2 3 399.383 2.046 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C(C)(C)c1cccs1 ZINC000737298409 599156710 /nfs/dbraw/zinc/15/67/10/599156710.db2.gz JUJZJJFNUBADOY-UHFFFAOYSA-N -2 3 391.478 2.019 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C(C)(C)c1cccs1 ZINC000737298409 599156712 /nfs/dbraw/zinc/15/67/12/599156712.db2.gz JUJZJJFNUBADOY-UHFFFAOYSA-N -2 3 391.478 2.019 20 0 GEADHL C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1 ZINC000735975331 599190328 /nfs/dbraw/zinc/19/03/28/599190328.db2.gz LDQQMBOFFFOHRK-LLVKDONJSA-N -2 3 389.412 2.005 20 0 GEADHL C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000735975331 599190331 /nfs/dbraw/zinc/19/03/31/599190331.db2.gz LDQQMBOFFFOHRK-LLVKDONJSA-N -2 3 389.412 2.005 20 0 GEADHL Cc1ccccc1[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000737419938 599191239 /nfs/dbraw/zinc/19/12/39/599191239.db2.gz GRVRNJLJRKOOQU-AWEZNQCLSA-N -2 3 399.476 2.315 20 0 GEADHL Cc1ccccc1[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000737419938 599191241 /nfs/dbraw/zinc/19/12/41/599191241.db2.gz GRVRNJLJRKOOQU-AWEZNQCLSA-N -2 3 399.476 2.315 20 0 GEADHL COCCOc1ccc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])cc1C ZINC000818545539 597315401 /nfs/dbraw/zinc/31/54/01/597315401.db2.gz ZEULUCUWFONFEE-UHFFFAOYSA-N -2 3 379.434 2.448 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cccc(C(=O)[O-])c2)cc1OC ZINC000573925667 598139210 /nfs/dbraw/zinc/13/92/10/598139210.db2.gz IMPSBJRXMHEVNA-UHFFFAOYSA-N -2 3 378.406 2.407 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1NC(=O)CC1(C(=O)[O-])Cc2ccccc2C1 ZINC000737292569 598369953 /nfs/dbraw/zinc/36/99/53/598369953.db2.gz VNYXZCLPDDLKAV-UHFFFAOYSA-N -2 3 377.404 2.374 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1NC(=O)CC1(C(=O)[O-])Cc2ccccc2C1 ZINC000737292569 598369954 /nfs/dbraw/zinc/36/99/54/598369954.db2.gz VNYXZCLPDDLKAV-UHFFFAOYSA-N -2 3 377.404 2.374 20 0 GEADHL Cc1ccc(F)c(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737343483 598415417 /nfs/dbraw/zinc/41/54/17/598415417.db2.gz PVENHMVETJTWGB-UHFFFAOYSA-N -2 3 395.803 2.086 20 0 GEADHL Cc1ccc(F)c(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737343483 598415419 /nfs/dbraw/zinc/41/54/19/598415419.db2.gz PVENHMVETJTWGB-UHFFFAOYSA-N -2 3 395.803 2.086 20 0 GEADHL Cc1cccc(Cn2nccc2[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737396299 598437947 /nfs/dbraw/zinc/43/79/47/598437947.db2.gz GGIXMVPALRZGRA-UHFFFAOYSA-N -2 3 395.448 2.221 20 0 GEADHL Cc1cccc(Cn2nccc2[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737396299 598437948 /nfs/dbraw/zinc/43/79/48/598437948.db2.gz GGIXMVPALRZGRA-UHFFFAOYSA-N -2 3 395.448 2.221 20 0 GEADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cccc(COC)c1 ZINC000736635785 598451645 /nfs/dbraw/zinc/45/16/45/598451645.db2.gz ZCWXJHMGJWXOIQ-UHFFFAOYSA-N -2 3 389.437 2.213 20 0 GEADHL CC(C)c1ccc(S([O-])=CC(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735928673 598492116 /nfs/dbraw/zinc/49/21/16/598492116.db2.gz PFEJOOJZUMXGPG-HHHXNRCGSA-N -2 3 383.477 2.414 20 0 GEADHL CCc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736687509 598537392 /nfs/dbraw/zinc/53/73/92/598537392.db2.gz MVBMBOXQXBQMQK-ZDUSSCGKSA-N -2 3 399.476 2.179 20 0 GEADHL CCc1ccc([C@H](C)C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736687509 598537393 /nfs/dbraw/zinc/53/73/93/598537393.db2.gz MVBMBOXQXBQMQK-ZDUSSCGKSA-N -2 3 399.476 2.179 20 0 GEADHL O=S(=O)(CCc1ccccc1)[N-]c1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000738331433 598549152 /nfs/dbraw/zinc/54/91/52/598549152.db2.gz SFMQLAHXWLBSSU-UHFFFAOYSA-N -2 3 395.391 2.453 20 0 GEADHL C[C@@H](NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820323614 599299200 /nfs/dbraw/zinc/29/92/00/599299200.db2.gz YMMJQIKSQHIGLR-XCLFUZPHSA-N -2 3 379.420 2.477 20 0 GEADHL C[C@@H](NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820323614 599299201 /nfs/dbraw/zinc/29/92/01/599299201.db2.gz YMMJQIKSQHIGLR-XCLFUZPHSA-N -2 3 379.420 2.477 20 0 GEADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccs1 ZINC000735552200 599617164 /nfs/dbraw/zinc/61/71/64/599617164.db2.gz VUQMPEYOJIQKHN-MRVPVSSYSA-N -2 3 397.869 2.190 20 0 GEADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccs1 ZINC000735552200 599617166 /nfs/dbraw/zinc/61/71/66/599617166.db2.gz VUQMPEYOJIQKHN-MRVPVSSYSA-N -2 3 397.869 2.190 20 0 GEADHL CC(C)(C)OC(=O)N1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736274705 599774266 /nfs/dbraw/zinc/77/42/66/599774266.db2.gz WJROIOOZRKBIRP-LLVKDONJSA-N -2 3 388.442 2.046 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(F)c2)c1C(=O)[O-] ZINC000738743227 599801785 /nfs/dbraw/zinc/80/17/85/599801785.db2.gz AVAVKPUQLVKZHS-UHFFFAOYSA-N -2 3 394.424 2.470 20 0 GEADHL Cc1ccsc1CCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826315992 607398334 /nfs/dbraw/zinc/39/83/34/607398334.db2.gz AEOBPJYTVPKARO-UHFFFAOYSA-N -2 3 391.478 2.064 20 0 GEADHL Cc1ccsc1CCCC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826315992 607398335 /nfs/dbraw/zinc/39/83/35/607398335.db2.gz AEOBPJYTVPKARO-UHFFFAOYSA-N -2 3 391.478 2.064 20 0 GEADHL Cc1nc(COc2ccc([N-]S(=O)(=O)c3ccccc3C(=O)[O-])cc2)no1 ZINC000738857221 599839441 /nfs/dbraw/zinc/83/94/41/599839441.db2.gz JNPFFWHAVCSVNZ-UHFFFAOYSA-N -2 3 389.389 2.456 20 0 GEADHL COCC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1 ZINC000737733407 599906623 /nfs/dbraw/zinc/90/66/23/599906623.db2.gz OQDLDURVSXHOHB-UHFFFAOYSA-N -2 3 378.406 2.079 20 0 GEADHL COC(=O)CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1 ZINC000477409304 599907121 /nfs/dbraw/zinc/90/71/21/599907121.db2.gz ZFMFECMMPNNKDA-UHFFFAOYSA-N -2 3 393.417 2.436 20 0 GEADHL COc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cc(C(=O)[O-])c1OC ZINC000476740328 599925181 /nfs/dbraw/zinc/92/51/81/599925181.db2.gz PKRWMKDQHUOACC-UHFFFAOYSA-N -3 3 395.389 2.209 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](Cc2cccc(C)c2)C(=O)[O-])s1 ZINC000548221923 600096619 /nfs/dbraw/zinc/09/66/19/600096619.db2.gz GINOPGAJHLVGKV-ZDUSSCGKSA-N -2 3 397.474 2.065 20 0 GEADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000739826766 600101657 /nfs/dbraw/zinc/10/16/57/600101657.db2.gz RLLKEBSUBAEBML-UHFFFAOYSA-N -3 3 384.341 2.180 20 0 GEADHL CCN1CCN(c2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)c(C)c2)CC1 ZINC000737122568 600103003 /nfs/dbraw/zinc/10/30/03/600103003.db2.gz KYSZESZUYWXLHR-UHFFFAOYSA-N -2 3 393.465 2.229 20 0 GEADHL CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000737170764 600121558 /nfs/dbraw/zinc/12/15/58/600121558.db2.gz GIQLVBXZNHDRAQ-UHFFFAOYSA-N -2 3 384.388 2.498 20 0 GEADHL C[C@H](Sc1ccccc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1)C(=O)[O-] ZINC000736719704 600170485 /nfs/dbraw/zinc/17/04/85/600170485.db2.gz ZZKLJIAJHMKPFW-NSHDSACASA-N -2 3 383.433 2.362 20 0 GEADHL C[C@H](Sc1ccccc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000736719704 600170486 /nfs/dbraw/zinc/17/04/86/600170486.db2.gz ZZKLJIAJHMKPFW-NSHDSACASA-N -2 3 383.433 2.362 20 0 GEADHL Cc1nc(COc2ccc(F)cc2)sc1C(=O)[N-]c1n[nH]c(CC(=O)[O-])n1 ZINC000738858016 600180328 /nfs/dbraw/zinc/18/03/28/600180328.db2.gz XOOFHVQSTPXGFZ-UHFFFAOYSA-N -2 3 391.384 2.167 20 0 GEADHL O=C([O-])CCc1nnc([N-]C(=O)c2n[nH]c(C3CC3)c2Br)s1 ZINC000739776153 600204673 /nfs/dbraw/zinc/20/46/73/600204673.db2.gz CSBVJJHRXDDREW-UHFFFAOYSA-N -2 3 386.231 2.171 20 0 GEADHL C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)cc2)CCO1 ZINC000265648694 600256199 /nfs/dbraw/zinc/25/61/99/600256199.db2.gz UNSLUXRUCNBVAF-CYBMUJFWSA-N -2 3 376.434 2.411 20 0 GEADHL C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(CC(=O)[O-])cc3)cc2)CCO1 ZINC000267229132 600256209 /nfs/dbraw/zinc/25/62/09/600256209.db2.gz WDUIVFYTSTYWLL-AWEZNQCLSA-N -2 3 390.461 2.340 20 0 GEADHL C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3ccccc3C(=O)[O-])cc2)CCO1 ZINC000736822532 600256349 /nfs/dbraw/zinc/25/63/49/600256349.db2.gz DKOIRTUCJUUDDF-ZDUSSCGKSA-N -2 3 376.434 2.411 20 0 GEADHL CC(C)C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(=O)OCc1ccccc1 ZINC000736452605 600312338 /nfs/dbraw/zinc/31/23/38/600312338.db2.gz BGFVYUJDURMYIM-AWEZNQCLSA-N -2 3 395.433 2.414 20 0 GEADHL CCOC(=O)[C@]1([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)CCc2ccccc21 ZINC000737134993 600312738 /nfs/dbraw/zinc/31/27/38/600312738.db2.gz ULSPRTJXPJXPET-IBGZPJMESA-N -2 3 389.429 2.068 20 0 GEADHL CCC(CC)(CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736895363 600345437 /nfs/dbraw/zinc/34/54/37/600345437.db2.gz ZTJAVNDYNZJTFZ-UHFFFAOYSA-N -2 3 390.458 2.340 20 0 GEADHL C[C@H]1COCCN1c1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1 ZINC000267209933 600396024 /nfs/dbraw/zinc/39/60/24/600396024.db2.gz RZMBPLFDYIEGRG-AWEZNQCLSA-N -2 3 390.461 2.340 20 0 GEADHL CCOc1ccc(C[C@@H](C[N-]S(=O)(=O)c2cccnc2Cl)C(=O)[O-])cc1 ZINC000737204859 600443301 /nfs/dbraw/zinc/44/33/01/600443301.db2.gz AQOMERKXSHMDMT-ZDUSSCGKSA-N -2 3 398.868 2.356 20 0 GEADHL O=C([O-])CCCOc1ccc(CN/C=C2\C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000739683303 600493618 /nfs/dbraw/zinc/49/36/18/600493618.db2.gz SZMCWGZHQRDJAP-AQTBWJFISA-N -2 3 380.400 2.331 20 0 GEADHL O=C([O-])Cn1cc([N-]S(=O)(=O)/C=C\c2cccc(Br)c2)cn1 ZINC000739911491 600530341 /nfs/dbraw/zinc/53/03/41/600530341.db2.gz ACBTTXSSGONCSH-PLNGDYQASA-N -2 3 386.227 2.143 20 0 GEADHL COCCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cc1 ZINC000042796132 600542408 /nfs/dbraw/zinc/54/24/08/600542408.db2.gz PJSMXMGTUOMEKY-UHFFFAOYSA-N -2 3 381.406 2.219 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(O[C@@H]3CCOC3)cc2)cc1C(=O)[O-] ZINC000265701078 600545721 /nfs/dbraw/zinc/54/57/21/600545721.db2.gz DOELDSGQUMKOGC-CQSZACIVSA-N -2 3 393.417 2.362 20 0 GEADHL COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)cc1 ZINC000551997075 600628057 /nfs/dbraw/zinc/62/80/57/600628057.db2.gz LFBMPFPDINYBPU-UHFFFAOYSA-N -2 3 393.417 2.056 20 0 GEADHL Cc1cc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Br)cc2F)no1 ZINC000738392100 600634148 /nfs/dbraw/zinc/63/41/48/600634148.db2.gz IAAZEPJFNSKQAM-UHFFFAOYSA-N -2 3 393.190 2.061 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1OC ZINC000262526814 600659065 /nfs/dbraw/zinc/65/90/65/600659065.db2.gz HBKWCYZGAIHLHS-VXGBXAGGSA-N -2 3 384.454 2.286 20 0 GEADHL C[C@@H](Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C(=O)[O-] ZINC000737693691 600731932 /nfs/dbraw/zinc/73/19/32/600731932.db2.gz GGLJIGMBRQVSFI-LLVKDONJSA-N -2 3 378.406 2.144 20 0 GEADHL Cc1ccc(C(=O)NCCC(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c([O-])c1 ZINC000832911315 600763629 /nfs/dbraw/zinc/76/36/29/600763629.db2.gz CLTBBVMIJKVWKY-CQSZACIVSA-N -2 3 382.416 2.426 20 0 GEADHL C[C@H]([N-]S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1)c1nc(C(C)(C)C)no1 ZINC000575800798 600799139 /nfs/dbraw/zinc/79/91/39/600799139.db2.gz ZZQHMXDEJFMEFW-NSHDSACASA-N -2 3 397.453 2.260 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2cccc(CN3CCOC3=O)c2)ccc1C(=O)[O-] ZINC000738477665 600889477 /nfs/dbraw/zinc/88/94/77/600889477.db2.gz AIPMZLOJCVTAOS-UHFFFAOYSA-N -2 3 390.417 2.446 20 0 GEADHL CC[C@@](C)([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C(=O)OC)c1)C(F)(F)F ZINC000828692677 600988550 /nfs/dbraw/zinc/98/85/50/600988550.db2.gz KVTKXTBUVPYUJK-CYBMUJFWSA-N -2 3 383.344 2.181 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(CN3CCOCC3)cc2)cc1 ZINC000170549556 601152482 /nfs/dbraw/zinc/15/24/82/601152482.db2.gz AEEDLEDQWBJMGX-UHFFFAOYSA-N -2 3 376.434 2.018 20 0 GEADHL Cc1oc(S(=O)(=O)[N-]Cc2ccc(N3CCCCC3)nc2)cc1C(=O)[O-] ZINC000833026764 601217207 /nfs/dbraw/zinc/21/72/07/601217207.db2.gz JWXDSWLEYFXCQN-UHFFFAOYSA-N -2 3 379.438 2.150 20 0 GEADHL COc1ccc(COCCC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1 ZINC000582664732 601219489 /nfs/dbraw/zinc/21/94/89/601219489.db2.gz HTHMQMAXZNXJFS-UHFFFAOYSA-N -2 3 383.422 2.180 20 0 GEADHL Cc1oc(S(=O)(=O)[N-]CCc2nc(C(F)(F)F)cs2)cc1C(=O)[O-] ZINC000579948604 601223789 /nfs/dbraw/zinc/22/37/89/601223789.db2.gz OUKAGENNZKAJSW-UHFFFAOYSA-N -2 3 384.357 2.283 20 0 GEADHL C[C@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)N1CCc2ccccc21 ZINC000827507596 601230152 /nfs/dbraw/zinc/23/01/52/601230152.db2.gz LHUXBROLZCWAEL-LLVKDONJSA-N -2 3 396.415 2.393 20 0 GEADHL Cc1nc2ccccc2n1CC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000833005651 601230694 /nfs/dbraw/zinc/23/06/94/601230694.db2.gz FHIMGROAENGOPG-UHFFFAOYSA-N -2 3 395.387 2.300 20 0 GEADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCCN(C(=O)[O-])C2)sc1Br ZINC000832902526 601256723 /nfs/dbraw/zinc/25/67/23/601256723.db2.gz ALZDOWFEIAEQFG-MRVPVSSYSA-N -2 3 383.289 2.240 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)sc1Br ZINC000832902779 601257832 /nfs/dbraw/zinc/25/78/32/601257832.db2.gz MTUJKIKWJLETOH-UHFFFAOYSA-N -2 3 398.300 2.121 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])cc1Cl ZINC000261737428 601258082 /nfs/dbraw/zinc/25/80/82/601258082.db2.gz UBUSYVXBLCCWPZ-UHFFFAOYSA-N -2 3 380.825 2.359 20 0 GEADHL CCc1nc(C2([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3OC)CCCC2)no1 ZINC000574634884 601265080 /nfs/dbraw/zinc/26/50/80/601265080.db2.gz GGSWOUZLIWVDBQ-UHFFFAOYSA-N -2 3 395.437 2.087 20 0 GEADHL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000476418098 601334864 /nfs/dbraw/zinc/33/48/64/601334864.db2.gz ZKYSXPXTFXHOBE-UHFFFAOYSA-N -3 3 379.390 2.266 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3[nH]nnc3c2)ccc1Br ZINC000761902167 601404806 /nfs/dbraw/zinc/40/48/06/601404806.db2.gz WWZNMYCNBUZJKQ-UHFFFAOYSA-N -2 3 397.210 2.219 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)ccc1Br ZINC000761902167 601404808 /nfs/dbraw/zinc/40/48/08/601404808.db2.gz WWZNMYCNBUZJKQ-UHFFFAOYSA-N -2 3 397.210 2.219 20 0 GEADHL C/C(=C\COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1)C(=O)[O-] ZINC000825774768 601417190 /nfs/dbraw/zinc/41/71/90/601417190.db2.gz HIRGYIPFLGHJNV-UXBLZVDNSA-N -2 3 382.369 2.142 20 0 GEADHL COC(=O)c1sc2[n-]c(CSc3ccncc3)nc(=O)c2c1CC(=O)[O-] ZINC000831479812 601547693 /nfs/dbraw/zinc/54/76/93/601547693.db2.gz UKQJXPDPYMDDGI-UHFFFAOYSA-N -2 3 391.430 2.086 20 0 GEADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)ccc1F ZINC000831029311 601624671 /nfs/dbraw/zinc/62/46/71/601624671.db2.gz NRBQHBURMSGPMP-UHFFFAOYSA-N -2 3 395.412 2.096 20 0 GEADHL C[N-]S(=O)(=O)c1cc(C(=O)OCc2cc(C(=O)[O-])sc2C)ccc1F ZINC000831034197 601734099 /nfs/dbraw/zinc/73/40/99/601734099.db2.gz NQMRNPUHJRGZDJ-UHFFFAOYSA-N -2 3 387.410 2.159 20 0 GEADHL CCOC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)cc1 ZINC000825565188 607532143 /nfs/dbraw/zinc/53/21/43/607532143.db2.gz NVXYHMRRIGWYQX-UHFFFAOYSA-N -2 3 387.421 2.153 20 0 GEADHL CCOC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1 ZINC000825565188 607532144 /nfs/dbraw/zinc/53/21/44/607532144.db2.gz NVXYHMRRIGWYQX-UHFFFAOYSA-N -2 3 387.421 2.153 20 0 GEADHL Cc1nc(-c2cccc([N-]S(=O)(=O)c3cccc(C)c3-c3nn[n-]n3)c2)no1 ZINC000826323047 607534983 /nfs/dbraw/zinc/53/49/83/607534983.db2.gz NSNPZRCDCOETOO-UHFFFAOYSA-N -2 3 397.420 2.334 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(Cn3cccn3)cc2)c1-c1nn[n-]n1 ZINC000826304013 607535172 /nfs/dbraw/zinc/53/51/72/607535172.db2.gz RCIIUKJMBQYVBT-UHFFFAOYSA-N -2 3 395.448 2.221 20 0 GEADHL CC(C)[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(=O)OC(C)(C)C ZINC000827097178 601968595 /nfs/dbraw/zinc/96/85/95/601968595.db2.gz GWFMNOLAJJZBFM-ZDUSSCGKSA-N -2 3 393.408 2.308 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)c1-c1nnn[n-]1 ZINC000826303702 607536271 /nfs/dbraw/zinc/53/62/71/607536271.db2.gz ASATXEHRWSRKLV-UHFFFAOYSA-N -2 3 387.450 2.428 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)c1-c1nn[n-]n1 ZINC000826303702 607536274 /nfs/dbraw/zinc/53/62/74/607536274.db2.gz ASATXEHRWSRKLV-UHFFFAOYSA-N -2 3 387.450 2.428 20 0 GEADHL C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)[C@H]1CCCN(C(=O)[O-])C1 ZINC000739040129 601991078 /nfs/dbraw/zinc/99/10/78/601991078.db2.gz QSVZRLQZYFFSJL-BDAKNGLRSA-N -2 3 382.269 2.445 20 0 GEADHL O=C([O-])N1CCC[C@H]1[C@H]1CCCCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000740733260 602004955 /nfs/dbraw/zinc/00/49/55/602004955.db2.gz UVHOJLWONXTFPQ-CABCVRRESA-N -2 3 386.408 2.099 20 0 GEADHL O=C([O-])CCCCCCCNC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000833224638 602093741 /nfs/dbraw/zinc/09/37/41/602093741.db2.gz JHUWRWALDACAHB-UHFFFAOYSA-N -2 3 391.468 2.285 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CN(C)C(=O)[O-])cc2)cc1 ZINC000740145814 602165939 /nfs/dbraw/zinc/16/59/39/602165939.db2.gz AVGJKGQMVFCQDK-UHFFFAOYSA-N -2 3 377.422 2.344 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)c[nH]1 ZINC000484088993 602175091 /nfs/dbraw/zinc/17/50/91/602175091.db2.gz NLALTXHJCHVXPN-UHFFFAOYSA-N -2 3 383.389 2.452 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)OCCNC(=O)[O-] ZINC000832956488 602257574 /nfs/dbraw/zinc/25/75/74/602257574.db2.gz GTNNOBKZECAWPP-UHFFFAOYSA-N -2 3 396.396 2.359 20 0 GEADHL Cc1cc(=O)[n-]c(CN2CCN([C@@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)n1 ZINC000832898741 602311027 /nfs/dbraw/zinc/31/10/27/602311027.db2.gz BNVNDOQERRPGRZ-QGZVFWFLSA-N -2 3 376.844 2.088 20 0 GEADHL C[C@@H](CCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824401974 607558773 /nfs/dbraw/zinc/55/87/73/607558773.db2.gz SSZNKQCPUVVDRC-AWEZNQCLSA-N -2 3 399.476 2.397 20 0 GEADHL C[C@@H](CCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824401974 607558775 /nfs/dbraw/zinc/55/87/75/607558775.db2.gz SSZNKQCPUVVDRC-AWEZNQCLSA-N -2 3 399.476 2.397 20 0 GEADHL O=C([O-])Nc1ccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000740710674 602601290 /nfs/dbraw/zinc/60/12/90/602601290.db2.gz XEBFFSWCLZLAEC-UHFFFAOYSA-N -2 3 384.392 2.472 20 0 GEADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3csc(CNC(=O)[O-])n3)cc2)n1 ZINC000740055535 602701158 /nfs/dbraw/zinc/70/11/58/602701158.db2.gz UDNLARCJXIEOOU-UHFFFAOYSA-N -2 3 385.405 2.222 20 0 GEADHL O=C([O-])Nc1ccc(C(=O)NCC2(N3CCOCC3)CCCCC2)c([O-])c1 ZINC000740698084 602841363 /nfs/dbraw/zinc/84/13/63/602841363.db2.gz KIBNCJQWDXDLGZ-UHFFFAOYSA-N -2 3 377.441 2.247 20 0 GEADHL O=C([O-])Nc1ccc(C(=O)NCc2cccc(CN3CCOCC3)c2)c([O-])c1 ZINC000740698602 602851627 /nfs/dbraw/zinc/85/16/27/602851627.db2.gz QLLDONQNGTVBRQ-UHFFFAOYSA-N -2 3 385.420 2.244 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)ccc1OC ZINC000737680248 603010402 /nfs/dbraw/zinc/01/04/02/603010402.db2.gz GNROGWXUVWDURF-UHFFFAOYSA-N -2 3 380.378 2.373 20 0 GEADHL Cc1cc(=O)[n-]c(-c2cccc(OC(=O)CN(C[C@H]3CCCO3)C(=O)[O-])c2)n1 ZINC000829894072 603473684 /nfs/dbraw/zinc/47/36/84/603473684.db2.gz NJFYPSYXZWUESF-OAHLLOKOSA-N -2 3 387.392 2.222 20 0 GEADHL CC(C)[C@H](CCN(C)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])NC(=O)[O-] ZINC000824078199 603606912 /nfs/dbraw/zinc/60/69/12/603606912.db2.gz IJAHAGBMFKHFGW-JKSUJKDBSA-N -2 3 391.468 2.138 20 0 GEADHL CC(C)[C@H](CCN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-])NC(=O)[O-] ZINC000824078197 603606967 /nfs/dbraw/zinc/60/69/67/603606967.db2.gz IJAHAGBMFKHFGW-HOTGVXAUSA-N -2 3 391.468 2.138 20 0 GEADHL CC(C)(C(=O)Nc1ccc(Br)cc1[O-])N1CCN(C(=O)[O-])CC1 ZINC000823743555 603657504 /nfs/dbraw/zinc/65/75/04/603657504.db2.gz KKBFZHMPENHESF-UHFFFAOYSA-N -2 3 386.246 2.167 20 0 GEADHL COc1ccc(C(=O)Nc2ccc(-c3nnc(CNC(=O)[O-])[nH]3)cc2)c([O-])c1 ZINC000829285071 603735430 /nfs/dbraw/zinc/73/54/30/603735430.db2.gz QQUBMWJOKSAXQC-UHFFFAOYSA-N -2 3 383.364 2.206 20 0 GEADHL CCC[C@@H](NC(=O)[O-])C(=O)Nc1cc(I)ccc1[O-] ZINC000826759311 603886065 /nfs/dbraw/zinc/88/60/65/603886065.db2.gz YKJUDAXGAHHCOQ-MRVPVSSYSA-N -2 3 378.166 2.372 20 0 GEADHL CC(C)[C@@H](O)C(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000833471830 604460081 /nfs/dbraw/zinc/46/00/81/604460081.db2.gz TZFZXTVXXUAOFN-SNVBAGLBSA-N -2 3 398.275 2.062 20 0 GEADHL COc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c(Cl)n1 ZINC000833733289 604692596 /nfs/dbraw/zinc/69/25/96/604692596.db2.gz MEDZLBMGCNHBDF-UHFFFAOYSA-N -2 3 378.193 2.291 20 0 GEADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ncccc2Br)cc1 ZINC000316700473 604797091 /nfs/dbraw/zinc/79/70/91/604797091.db2.gz FDZHTKOEKYTBJQ-UHFFFAOYSA-N -2 3 387.211 2.108 20 0 GEADHL COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1OC ZINC000831972759 604799652 /nfs/dbraw/zinc/79/96/52/604799652.db2.gz QIKGMVHGXAEOND-ARJAWSKDSA-N -3 3 397.380 2.447 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c(OC)c1C(=O)[O-] ZINC000833734741 604859455 /nfs/dbraw/zinc/85/94/55/604859455.db2.gz VLHQXOKIIRBLOO-UHFFFAOYSA-N -3 3 399.352 2.040 20 0 GEADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000833716042 605021741 /nfs/dbraw/zinc/02/17/41/605021741.db2.gz NBEKCALWQHDKSW-CQSZACIVSA-N -2 3 399.371 2.246 20 0 GEADHL CC(C)(C)c1ccc([C@@H](O)C[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000833450245 605035987 /nfs/dbraw/zinc/03/59/87/605035987.db2.gz LJYWHHIBZHLPPX-LBPRGKRZSA-N -2 3 384.479 2.151 20 0 GEADHL C[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)[C@H](O)c1cccc(F)c1 ZINC000833522508 605043934 /nfs/dbraw/zinc/04/39/34/605043934.db2.gz BIHVKZRDXDWORV-AYVTZFPOSA-N -2 3 389.351 2.203 20 0 GEADHL Cc1nc(C)c(CC(=O)OCc2coc(-c3ccc(C(=O)[O-])cc3)n2)c(=O)[n-]1 ZINC000833754910 605183522 /nfs/dbraw/zinc/18/35/22/605183522.db2.gz OWGAPZDNSMQFJM-UHFFFAOYSA-N -2 3 383.360 2.438 20 0 GEADHL O=C([O-])NC[C@H]1CCCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000832534311 605190956 /nfs/dbraw/zinc/19/09/56/605190956.db2.gz UMRMOUXSYWAISQ-LLVKDONJSA-N -2 3 386.246 2.344 20 0 GEADHL Cc1ccc(-c2nc(CC[N-]S(=O)(=O)c3cc(C(=O)[O-])co3)co2)cc1 ZINC000833746467 605201212 /nfs/dbraw/zinc/20/12/12/605201212.db2.gz HXWMSGDOIYUCJT-UHFFFAOYSA-N -2 3 376.390 2.462 20 0 GEADHL C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CCO1 ZINC000833597229 605414406 /nfs/dbraw/zinc/41/44/06/605414406.db2.gz QYLYIAZDTDXVIW-BDAKNGLRSA-N -2 3 396.259 2.224 20 0 GEADHL O=C([O-])N[C@H]1CCC[C@H]1C(=O)Nc1cc(I)ccc1[O-] ZINC000834174756 605540570 /nfs/dbraw/zinc/54/05/70/605540570.db2.gz XSFOOPQXUNNJGM-BDAKNGLRSA-N -2 3 390.177 2.372 20 0 GEADHL C[C@@H]1CN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C[C@H]1C(=O)[O-] ZINC000833617869 605718874 /nfs/dbraw/zinc/71/88/74/605718874.db2.gz ICHKPLLZQHDDBF-NIKGAXFTSA-N -2 3 396.443 2.433 20 0 GEADHL CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCc1cc(C(=O)[O-])ccc1Cl ZINC000833427553 605817814 /nfs/dbraw/zinc/81/78/14/605817814.db2.gz UUZFCLIGBPMIPV-LBPRGKRZSA-N -2 3 377.846 2.045 20 0 GEADHL COc1cc(C(=O)N2CCC[C@H]([C@@H]3CCCN3C(=O)[O-])C2)cc(OC)c1[O-] ZINC000833885651 605909038 /nfs/dbraw/zinc/90/90/38/605909038.db2.gz LORBVVGOJYZEDP-JSGCOSHPSA-N -2 3 378.425 2.404 20 0 GEADHL COc1cc(C(=O)N2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)cc(OC)c1[O-] ZINC000833885654 605909056 /nfs/dbraw/zinc/90/90/56/605909056.db2.gz LORBVVGOJYZEDP-OCCSQVGLSA-N -2 3 378.425 2.404 20 0 GEADHL COc1ccc(C)nc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000821782249 606180794 /nfs/dbraw/zinc/18/07/94/606180794.db2.gz CCGTWUSDJYNVKE-UHFFFAOYSA-N -2 3 380.817 2.033 20 0 GEADHL COc1ccc(C)nc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000821782249 606180795 /nfs/dbraw/zinc/18/07/95/606180795.db2.gz CCGTWUSDJYNVKE-UHFFFAOYSA-N -2 3 380.817 2.033 20 0 GEADHL CC(C)COc1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)cc1 ZINC000820102600 606211243 /nfs/dbraw/zinc/21/12/43/606211243.db2.gz DAVXSLFSFMEDNK-UHFFFAOYSA-N -2 3 389.437 2.408 20 0 GEADHL Cc1cncc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000822400067 606358202 /nfs/dbraw/zinc/35/82/02/606358202.db2.gz VPWVERNMFSPRGV-UHFFFAOYSA-N -2 3 384.343 2.390 20 0 GEADHL Cc1cncc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000822400067 606358204 /nfs/dbraw/zinc/35/82/04/606358204.db2.gz VPWVERNMFSPRGV-UHFFFAOYSA-N -2 3 384.343 2.390 20 0 GEADHL O=C([O-])c1ccc2c(=O)n3c(nc2c1)C(=Cc1ccc(-c2nnn[n-]2)s1)CC3 ZINC000823391632 606389794 /nfs/dbraw/zinc/38/97/94/606389794.db2.gz AKZHEBRIJUSWPJ-VQHVLOKHSA-N -2 3 392.400 2.281 20 0 GEADHL CC(C)CCCCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000820072945 606395040 /nfs/dbraw/zinc/39/50/40/606395040.db2.gz OSFFILYNYIGDPI-UHFFFAOYSA-N -2 3 379.486 2.419 20 0 GEADHL CC(C)CCCCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000820072945 606395042 /nfs/dbraw/zinc/39/50/42/606395042.db2.gz OSFFILYNYIGDPI-UHFFFAOYSA-N -2 3 379.486 2.419 20 0 GEADHL Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cs2)c1C ZINC000822194183 606460260 /nfs/dbraw/zinc/46/02/60/606460260.db2.gz LXLZKHCMCHHJFW-UHFFFAOYSA-N -2 3 391.478 2.281 20 0 GEADHL Cc1cc(C)c(C)c(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cs2)c1C ZINC000822194183 606460262 /nfs/dbraw/zinc/46/02/62/606460262.db2.gz LXLZKHCMCHHJFW-UHFFFAOYSA-N -2 3 391.478 2.281 20 0 GEADHL COc1ccc(-c2nc(SCc3cncn3C)[n-]c(=O)c2-c2nn[n-]n2)cc1 ZINC000821731838 606594900 /nfs/dbraw/zinc/59/49/00/606594900.db2.gz HOQFVDXCDRWXHV-UHFFFAOYSA-N -2 3 396.436 2.064 20 0 GEADHL COc1ccc(-c2nc(SCc3cncn3C)[n-]c(=O)c2-c2nnn[n-]2)cc1 ZINC000821731838 606594902 /nfs/dbraw/zinc/59/49/02/606594902.db2.gz HOQFVDXCDRWXHV-UHFFFAOYSA-N -2 3 396.436 2.064 20 0 GEADHL CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1c(F)cccc1F ZINC000821309026 606598389 /nfs/dbraw/zinc/59/83/89/606598389.db2.gz JKLYRPRRPUAQKM-UHFFFAOYSA-N -2 3 380.380 2.378 20 0 GEADHL O=S(=O)([N-]c1cnccc1-c1cccc(F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823589402 606601497 /nfs/dbraw/zinc/60/14/97/606601497.db2.gz YFSKLDTWXGWGSV-UHFFFAOYSA-N -2 3 397.395 2.264 20 0 GEADHL CC(C)(C)n1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccccc2Cl)n1 ZINC000819972063 606606285 /nfs/dbraw/zinc/60/62/85/606606285.db2.gz ZLQRJXIEDASJPJ-UHFFFAOYSA-N -2 3 381.849 2.272 20 0 GEADHL CC(C)(C)n1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cccc(Cl)c2)n1 ZINC000819971467 606606298 /nfs/dbraw/zinc/60/62/98/606606298.db2.gz MKJSDVJGGLAILB-UHFFFAOYSA-N -2 3 381.849 2.272 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nnn[n-]2)c(C)c1 ZINC000822267539 606622076 /nfs/dbraw/zinc/62/20/76/606622076.db2.gz ZPGSNIOSLCTSOW-UHFFFAOYSA-N -2 3 375.458 2.236 20 0 GEADHL Cc1cccnc1[N-]S(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000822369706 606637140 /nfs/dbraw/zinc/63/71/40/606637140.db2.gz MFOKBCBFYAJNLY-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL Cc1cccnc1[N-]S(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000822369706 606637141 /nfs/dbraw/zinc/63/71/41/606637141.db2.gz MFOKBCBFYAJNLY-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL COc1cc(OC)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1F ZINC000821723743 606710537 /nfs/dbraw/zinc/71/05/37/606710537.db2.gz IWKOMOSWMFSPRK-UHFFFAOYSA-N -2 3 393.400 2.132 20 0 GEADHL COc1cc(OC)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1F ZINC000821723743 606710539 /nfs/dbraw/zinc/71/05/39/606710539.db2.gz IWKOMOSWMFSPRK-UHFFFAOYSA-N -2 3 393.400 2.132 20 0 GEADHL CC(C)CC1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC000820062183 606746057 /nfs/dbraw/zinc/74/60/57/606746057.db2.gz IYVFPXGYJDJVKD-UHFFFAOYSA-N -2 3 391.497 2.419 20 0 GEADHL CC(C)CC1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC000820062183 606746058 /nfs/dbraw/zinc/74/60/58/606746058.db2.gz IYVFPXGYJDJVKD-UHFFFAOYSA-N -2 3 391.497 2.419 20 0 GEADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc2sccc2c1 ZINC000823284408 606759259 /nfs/dbraw/zinc/75/92/59/606759259.db2.gz GQXZDXVDNLTZRW-UHFFFAOYSA-N -2 3 385.430 2.200 20 0 GEADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc2sccc2c1 ZINC000823284408 606759260 /nfs/dbraw/zinc/75/92/60/606759260.db2.gz GQXZDXVDNLTZRW-UHFFFAOYSA-N -2 3 385.430 2.200 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccc2sccc2c1 ZINC000823285513 606759543 /nfs/dbraw/zinc/75/95/43/606759543.db2.gz USZJXWGTNWBKCL-UHFFFAOYSA-N -2 3 399.457 2.341 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccc2sccc2c1 ZINC000823285513 606759545 /nfs/dbraw/zinc/75/95/45/606759545.db2.gz USZJXWGTNWBKCL-UHFFFAOYSA-N -2 3 399.457 2.341 20 0 GEADHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)c(C(=O)[O-])c1 ZINC000822194292 606764074 /nfs/dbraw/zinc/76/40/74/606764074.db2.gz QTZMLAVOXGAACP-UHFFFAOYSA-N -3 3 391.384 2.122 20 0 GEADHL CC(C)CC1(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CCC1 ZINC000820062867 606838882 /nfs/dbraw/zinc/83/88/82/606838882.db2.gz QXIYFDSYDLSQOX-UHFFFAOYSA-N -2 3 377.470 2.029 20 0 GEADHL CC(C)CC1(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CCC1 ZINC000820062867 606838883 /nfs/dbraw/zinc/83/88/83/606838883.db2.gz QXIYFDSYDLSQOX-UHFFFAOYSA-N -2 3 377.470 2.029 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1cc(F)cc(Cl)c1 ZINC000822223852 606840761 /nfs/dbraw/zinc/84/07/61/606840761.db2.gz MKQIDOICLGCQOB-UHFFFAOYSA-N -2 3 395.803 2.086 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1cc(F)cc(Cl)c1 ZINC000822223852 606840763 /nfs/dbraw/zinc/84/07/63/606840763.db2.gz MKQIDOICLGCQOB-UHFFFAOYSA-N -2 3 395.803 2.086 20 0 GEADHL C[C@H](C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000820276168 606884007 /nfs/dbraw/zinc/88/40/07/606884007.db2.gz TVJGQZPVKKWYMN-SNVBAGLBSA-N -2 3 379.392 2.227 20 0 GEADHL CCC(CC)(C[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F)SC ZINC000820887630 606893587 /nfs/dbraw/zinc/89/35/87/606893587.db2.gz JTKSBQXSMMLVCM-UHFFFAOYSA-N -2 3 391.469 2.345 20 0 GEADHL O=S(=O)([N-]c1ncc(-c2nnn[n-]2)s1)c1ccc(C(F)(F)F)cc1 ZINC000823589389 607027443 /nfs/dbraw/zinc/02/74/43/607027443.db2.gz XOJKEDQFDDERAJ-UHFFFAOYSA-N -2 3 376.345 2.143 20 0 GEADHL C[C@H]1CC[C@H](CC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820683875 607095098 /nfs/dbraw/zinc/09/50/98/607095098.db2.gz IQNLJFRZGCRREX-UWVGGRQHSA-N -2 3 383.861 2.151 20 0 GEADHL C[C@H]1CC[C@H](CC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820683875 607095100 /nfs/dbraw/zinc/09/51/00/607095100.db2.gz IQNLJFRZGCRREX-UWVGGRQHSA-N -2 3 383.861 2.151 20 0 GEADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000820541558 607103874 /nfs/dbraw/zinc/10/38/74/607103874.db2.gz GSFBLNXQLGHJCF-CZUORRHYSA-N -2 3 395.419 2.356 20 0 GEADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@H](CCC(=O)[O-])c1ccccc1 ZINC000820541558 607103875 /nfs/dbraw/zinc/10/38/75/607103875.db2.gz GSFBLNXQLGHJCF-CZUORRHYSA-N -2 3 395.419 2.356 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2Cl)oc1C ZINC000821667841 607122529 /nfs/dbraw/zinc/12/25/29/607122529.db2.gz CHWWYRAMJDYMIB-UHFFFAOYSA-N -2 3 397.800 2.009 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000823391985 607172666 /nfs/dbraw/zinc/17/26/66/607172666.db2.gz KEJIQCSQARFWPH-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000823391985 607172667 /nfs/dbraw/zinc/17/26/67/607172667.db2.gz KEJIQCSQARFWPH-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL CCCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cnc(C)s1 ZINC000821127975 607184944 /nfs/dbraw/zinc/18/49/44/607184944.db2.gz OIZMZQHTZHDNKE-UHFFFAOYSA-N -2 3 379.471 2.254 20 0 GEADHL Nc1c(-c2nnn[n-]2)cnn1C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000822902545 607194670 /nfs/dbraw/zinc/19/46/70/607194670.db2.gz CSIYBXXYDQRCSI-UHFFFAOYSA-N -2 3 381.783 2.360 20 0 GEADHL Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000822902545 607194671 /nfs/dbraw/zinc/19/46/71/607194671.db2.gz CSIYBXXYDQRCSI-UHFFFAOYSA-N -2 3 381.783 2.360 20 0 GEADHL CC1(C)CCC(CC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824797138 607776475 /nfs/dbraw/zinc/77/64/75/607776475.db2.gz VNDNTEFRRAULJH-UHFFFAOYSA-N -2 3 377.470 2.278 20 0 GEADHL CC1(C)CCC(CC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824797138 607776476 /nfs/dbraw/zinc/77/64/76/607776476.db2.gz VNDNTEFRRAULJH-UHFFFAOYSA-N -2 3 377.470 2.278 20 0 GEADHL Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2C)cc1C(=O)[O-] ZINC000826268347 607809767 /nfs/dbraw/zinc/80/97/67/607809767.db2.gz TXGBQIJLLHPOJH-UHFFFAOYSA-N -3 3 391.384 2.122 20 0 GEADHL O=S(=O)([N-]c1ccc(Cl)cc1O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826493192 607817542 /nfs/dbraw/zinc/81/75/42/607817542.db2.gz XRJNZRKYOSZUJJ-UHFFFAOYSA-N -2 3 387.755 2.305 20 0 GEADHL O=S(=O)([N-]c1ccc(Cl)cc1O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826493192 607817543 /nfs/dbraw/zinc/81/75/43/607817543.db2.gz XRJNZRKYOSZUJJ-UHFFFAOYSA-N -2 3 387.755 2.305 20 0 GEADHL O=S(=O)([N-]c1ccc(Oc2cccnc2)nc1)c1ccccc1-c1nnn[n-]1 ZINC000826493131 608018516 /nfs/dbraw/zinc/01/85/16/608018516.db2.gz VBWFMCNPMAYGCS-UHFFFAOYSA-N -2 3 395.404 2.250 20 0 GEADHL O=S(=O)([N-]c1ccc(Oc2cccnc2)nc1)c1ccccc1-c1nn[n-]n1 ZINC000826493131 608018517 /nfs/dbraw/zinc/01/85/17/608018517.db2.gz VBWFMCNPMAYGCS-UHFFFAOYSA-N -2 3 395.404 2.250 20 0 GEADHL CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)c(Cl)c2)c1C ZINC000825807063 608107674 /nfs/dbraw/zinc/10/76/74/608107674.db2.gz MMKUBEXQWIBVHC-UHFFFAOYSA-N -2 3 381.849 2.154 20 0 GEADHL CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)c(Cl)c2)c1C ZINC000825807063 608107675 /nfs/dbraw/zinc/10/76/75/608107675.db2.gz MMKUBEXQWIBVHC-UHFFFAOYSA-N -2 3 381.849 2.154 20 0 GEADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC000826231875 608141850 /nfs/dbraw/zinc/14/18/50/608141850.db2.gz JBWUTGOFRHENPE-SNVBAGLBSA-N -2 3 391.840 2.129 20 0 GEADHL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC000826231875 608141851 /nfs/dbraw/zinc/14/18/51/608141851.db2.gz JBWUTGOFRHENPE-SNVBAGLBSA-N -2 3 391.840 2.129 20 0 GEADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1ccc(Cl)cc1C(F)(F)F ZINC000826492492 608307636 /nfs/dbraw/zinc/30/76/36/608307636.db2.gz NLQFEYQHAWPCMQ-UHFFFAOYSA-N -2 3 393.738 2.063 20 0 GEADHL O=S(=O)([N-]c1cccc(Oc2ccc(-c3nnn[n-]3)nn2)c1)c1ccccc1 ZINC000826492845 608423451 /nfs/dbraw/zinc/42/34/51/608423451.db2.gz HLMKGPAZBBAZGK-UHFFFAOYSA-N -2 3 395.404 2.250 20 0 GEADHL Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824858107 608493894 /nfs/dbraw/zinc/49/38/94/608493894.db2.gz HLLTZCPXWWBYDM-HNNXBMFYSA-N -2 3 395.810 2.498 20 0 GEADHL Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824858107 608493897 /nfs/dbraw/zinc/49/38/97/608493897.db2.gz HLLTZCPXWWBYDM-HNNXBMFYSA-N -2 3 395.810 2.498 20 0 GEADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000825631501 608525941 /nfs/dbraw/zinc/52/59/41/608525941.db2.gz BNTYXALHIWBBQO-UHFFFAOYSA-N -2 3 380.817 2.115 20 0 GEADHL O=S(=O)([N-]c1ncccc1F)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826493668 609342102 /nfs/dbraw/zinc/34/21/02/609342102.db2.gz WSZULSZJBLVQHS-UHFFFAOYSA-N -2 3 388.306 2.220 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2-c2nn[n-]n2)c1F ZINC000826303987 609371352 /nfs/dbraw/zinc/37/13/52/609371352.db2.gz PWONDANBTDXYIP-UHFFFAOYSA-N -2 3 376.417 2.181 20 0 GEADHL Cc1cc(Br)c([O-])c(NC(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000826256682 609399560 /nfs/dbraw/zinc/39/95/60/609399560.db2.gz VVHJPAZEXPYOJG-UHFFFAOYSA-N -2 3 375.186 2.291 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000826278415 609455485 /nfs/dbraw/zinc/45/54/85/609455485.db2.gz BAOSUUVJDOVLOG-UHFFFAOYSA-N -2 3 384.343 2.390 20 0 GEADHL COCCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cccc(C)c1 ZINC000826162481 609469524 /nfs/dbraw/zinc/46/95/24/609469524.db2.gz DLCIEQMWNJGWLN-UHFFFAOYSA-N -2 3 389.437 2.001 20 0 GEADHL Cc1onc(CC(=O)Nc2cc(C)cc(Br)c2[O-])c1-c1nnn[n-]1 ZINC000826256457 609472726 /nfs/dbraw/zinc/47/27/26/609472726.db2.gz KMUTZMTVPYQTKK-UHFFFAOYSA-N -2 3 393.201 2.121 20 0 GEADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ncn(C2CCCCC2)n1 ZINC000826256296 609500232 /nfs/dbraw/zinc/50/02/32/609500232.db2.gz CBTYGRUZIBPPPL-UHFFFAOYSA-N -2 3 388.457 2.073 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ncn(C2CCCCC2)n1 ZINC000826256296 609500234 /nfs/dbraw/zinc/50/02/34/609500234.db2.gz CBTYGRUZIBPPPL-UHFFFAOYSA-N -2 3 388.457 2.073 20 0 GEADHL COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826210826 609524017 /nfs/dbraw/zinc/52/40/17/609524017.db2.gz GLWFUXWHTVVUBV-UHFFFAOYSA-N -2 3 395.828 2.338 20 0 GEADHL COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826210826 609524019 /nfs/dbraw/zinc/52/40/19/609524019.db2.gz GLWFUXWHTVVUBV-UHFFFAOYSA-N -2 3 395.828 2.338 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)ccc1C(=O)[O-] ZINC000826271094 609528481 /nfs/dbraw/zinc/52/84/81/609528481.db2.gz BXZALPURDRULSP-UHFFFAOYSA-N -3 3 393.812 2.328 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)ccc1C(=O)[O-] ZINC000826271094 609528482 /nfs/dbraw/zinc/52/84/82/609528482.db2.gz BXZALPURDRULSP-UHFFFAOYSA-N -3 3 393.812 2.328 20 0 GEADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1Cl ZINC000504304858 650429775 /nfs/dbraw/zinc/42/97/75/650429775.db2.gz QEOOVPIDWQQASO-UHFFFAOYSA-N -3 3 375.761 2.449 20 0 GEADHL CC(C)c1cc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)no1 ZINC000476917473 650563087 /nfs/dbraw/zinc/56/30/87/650563087.db2.gz ZVRJXOGWEZIHQZ-UHFFFAOYSA-N -2 3 377.419 2.109 20 0 GEADHL CO[N-]C(=O)[C@H](CCSC)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000025825459 642428923 /nfs/dbraw/zinc/42/89/23/642428923.db2.gz LBFOBFYINYFTQJ-JTQLQIEISA-N -2 3 387.310 2.071 20 0 GEADHL COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@@H](C)CC(=O)[O-] ZINC000037417960 642513791 /nfs/dbraw/zinc/51/37/91/642513791.db2.gz NNSUOQBYXMHUNR-LURJTMIESA-N -2 3 386.651 2.253 20 0 GEADHL CCc1nnc([N-]C(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)s1 ZINC000105596536 643211044 /nfs/dbraw/zinc/21/10/44/643211044.db2.gz GGWALWNSEKGKKO-UHFFFAOYSA-N -2 3 388.421 2.072 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cn2)cc1F ZINC000538367453 650835310 /nfs/dbraw/zinc/83/53/10/650835310.db2.gz JAAXGFVYBQZIOK-UHFFFAOYSA-N -2 3 393.849 2.437 20 0 GEADHL CC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1Cl ZINC000543951173 650928796 /nfs/dbraw/zinc/92/87/96/650928796.db2.gz ADXNLXNBOZXDNU-UHFFFAOYSA-N -2 3 378.793 2.227 20 0 GEADHL Cn1cc(CCC[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)cn1 ZINC000184991541 645030374 /nfs/dbraw/zinc/03/03/74/645030374.db2.gz YMWNVSCPTDAQQR-UHFFFAOYSA-N -2 3 392.264 2.336 20 0 GEADHL O=C([N-]NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1cc(F)ccc1Br ZINC000185129293 645035757 /nfs/dbraw/zinc/03/57/57/645035757.db2.gz DFNHEPDEFDEAQO-UHFFFAOYSA-N -2 3 398.144 2.277 20 0 GEADHL O=C(N=c1cn[n-]s1)N[N-]C(=O)c1ccc(Br)cc1Cl ZINC000192363015 645200834 /nfs/dbraw/zinc/20/08/34/645200834.db2.gz GYXSRFBUCIGMEX-UHFFFAOYSA-N -2 3 376.623 2.421 20 0 GEADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cccs1 ZINC000547544507 651030601 /nfs/dbraw/zinc/03/06/01/651030601.db2.gz JJBVZERKFCRTFK-GFCCVEGCSA-N -2 3 389.838 2.292 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(O)cc1 ZINC000547549239 651030795 /nfs/dbraw/zinc/03/07/95/651030795.db2.gz WPKXZYHKWRSEAR-CYBMUJFWSA-N -2 3 386.769 2.058 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(C)c2C)s1 ZINC000547639621 651040370 /nfs/dbraw/zinc/04/03/70/651040370.db2.gz JLQPQORQYDVOFL-AWEZNQCLSA-N -2 3 383.447 2.256 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)c(F)c1 ZINC000547822366 651046612 /nfs/dbraw/zinc/04/66/12/651046612.db2.gz HWNQWSDNQCIIBZ-UHFFFAOYSA-N -2 3 383.426 2.479 20 0 GEADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C[C@@H]2CCOC2)C(=O)[O-])c1Cl ZINC000547877374 651049826 /nfs/dbraw/zinc/04/98/26/651049826.db2.gz XIVGEEDBVNLMLA-ONGXEEELSA-N -2 3 382.265 2.460 20 0 GEADHL Cc1ncc(S(=O)(=O)[N-][C@@H](Cc2c(F)cccc2Cl)C(=O)[O-])s1 ZINC000547940068 651057672 /nfs/dbraw/zinc/05/76/72/651057672.db2.gz QNQMESYOSTVTQK-NSHDSACASA-N -2 3 378.834 2.218 20 0 GEADHL CC(C)C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)C(=O)[O-])c(Cl)cc1Cl ZINC000269349966 646029409 /nfs/dbraw/zinc/02/94/09/646029409.db2.gz FRZDLEJUKQTLHN-QMMMGPOBSA-N -2 3 397.280 2.131 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cc(C)ccn2)cc1F ZINC000270715444 646131795 /nfs/dbraw/zinc/13/17/95/646131795.db2.gz VUQJMAAKFWZRCX-UHFFFAOYSA-N -2 3 387.458 2.482 20 0 GEADHL CCO[C@@H]1C[C@@]([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)(C(=O)[O-])C1(C)C ZINC000275770254 646359332 /nfs/dbraw/zinc/35/93/32/646359332.db2.gz SUTJTGCZDMXBJQ-QMTHXVAHSA-N -2 3 397.280 2.325 20 0 GEADHL Cc1ncc(S(=O)(=O)[N-]C[C@H](Cc2cc(F)c(F)c(F)c2)C(=O)[O-])s1 ZINC000277316863 646401955 /nfs/dbraw/zinc/40/19/55/646401955.db2.gz MAYYAEDOWJDUNB-VIFPVBQESA-N -2 3 394.396 2.091 20 0 GEADHL CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000277392963 646412640 /nfs/dbraw/zinc/41/26/40/646412640.db2.gz RNUKRTBLEDRBJE-UHFFFAOYSA-N -2 3 383.164 2.228 20 0 GEADHL CCC(CC)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)OC ZINC000314198291 647283955 /nfs/dbraw/zinc/28/39/55/647283955.db2.gz SFWNOMGUAGJIIU-UHFFFAOYSA-N -2 3 384.248 2.224 20 0 GEADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cc1F)CC1CC1 ZINC000405243346 647909186 /nfs/dbraw/zinc/90/91/86/647909186.db2.gz XOTYZECNMKEEGQ-SECBINFHSA-N -2 3 380.235 2.367 20 0 GEADHL O=C([O-])[C@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000548213028 651068177 /nfs/dbraw/zinc/06/81/77/651068177.db2.gz XZLJIRWJIQOQLW-JTQLQIEISA-N -2 3 393.364 2.170 20 0 GEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccccc2F)c1 ZINC000548251672 651073209 /nfs/dbraw/zinc/07/32/09/651073209.db2.gz CVLQTELGOFXNNU-LBPRGKRZSA-N -2 3 387.410 2.168 20 0 GEADHL C[C@@H]([C@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-])C1CC1 ZINC000548992898 651091072 /nfs/dbraw/zinc/09/10/72/651091072.db2.gz UTVOJXUSPOQLQM-KRTXAFLBSA-N -2 3 380.235 2.366 20 0 GEADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000551107545 651118269 /nfs/dbraw/zinc/11/82/69/651118269.db2.gz VNYSYSDYPDGTJG-UHFFFAOYSA-N -2 3 390.776 2.181 20 0 GEADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CC1(C(=O)[O-])CCC1 ZINC000551911299 651135977 /nfs/dbraw/zinc/13/59/77/651135977.db2.gz FLFPSIPRGLTVIO-UHFFFAOYSA-N -2 3 396.234 2.130 20 0 GEADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(F)F ZINC000554787078 651213192 /nfs/dbraw/zinc/21/31/92/651213192.db2.gz WQQQBYAZLOLKDT-LURJTMIESA-N -2 3 379.278 2.479 20 0 GEADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000555139315 651219031 /nfs/dbraw/zinc/21/90/31/651219031.db2.gz BLDSMRUTMMUTPG-UHFFFAOYSA-N -2 3 396.824 2.327 20 0 GEADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000555139347 651219080 /nfs/dbraw/zinc/21/90/80/651219080.db2.gz BYKLEMMPYIVFHH-UHFFFAOYSA-N -2 3 378.834 2.188 20 0 GEADHL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000643434137 651486934 /nfs/dbraw/zinc/48/69/34/651486934.db2.gz JGTGDLFLNZNNPA-NXEZZACHSA-N -2 3 393.237 2.473 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@@]2(C)C(=O)[O-])cc1Cl ZINC000562320098 651492257 /nfs/dbraw/zinc/49/22/57/651492257.db2.gz URDHIDRWULYTOY-DZGCQCFKSA-N -2 3 392.836 2.359 20 0 GEADHL C[C@@H](C(=O)[O-])N(C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CC1 ZINC000564874825 651581982 /nfs/dbraw/zinc/58/19/82/651581982.db2.gz HVSKJOTZSIOFEU-QMMMGPOBSA-N -2 3 379.210 2.368 20 0 GEADHL O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)Nc1ccc(Cl)cc1[O-] ZINC000566768932 651611572 /nfs/dbraw/zinc/61/15/72/651611572.db2.gz DVWAZKDBLHTUER-UHFFFAOYSA-N -2 3 376.768 2.241 20 0 GEADHL Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)ccc1=O ZINC000731339458 651624286 /nfs/dbraw/zinc/62/42/86/651624286.db2.gz YUQZVWYERFAGLV-UHFFFAOYSA-N -2 3 377.205 2.191 20 0 GEADHL COc1cc(OC)c([N-]S(=O)(=O)CCc2scnc2C)c(C(=O)[O-])c1 ZINC000568003108 651644441 /nfs/dbraw/zinc/64/44/41/651644441.db2.gz XEHIAWCNDILCMJ-UHFFFAOYSA-N -2 3 386.451 2.151 20 0 GEADHL O=C([O-])CCCCCS(=O)(=O)[N-]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000645973479 651672231 /nfs/dbraw/zinc/67/22/31/651672231.db2.gz VBKYKMAQWZJVLG-UHFFFAOYSA-N -2 3 387.845 2.454 20 0 GEADHL O=C([O-])c1nscc1S(=O)(=O)[N-]CC[C@@H]1CSc2ccccc2O1 ZINC000646057988 651677631 /nfs/dbraw/zinc/67/76/31/651677631.db2.gz VEQYZDAGFKKTNU-SECBINFHSA-N -2 3 386.476 2.063 20 0 GEADHL CSc1cccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)n1 ZINC000570546380 651774283 /nfs/dbraw/zinc/77/42/83/651774283.db2.gz NGACNQHTWYIFII-UHFFFAOYSA-N -2 3 391.471 2.115 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2ccccc2[N-]S(C)(=O)=O)cnc1Cl ZINC000735267202 651774521 /nfs/dbraw/zinc/77/45/21/651774521.db2.gz JZEUYERYUKTXHB-UHFFFAOYSA-N -2 3 375.859 2.216 20 0 GEADHL COC1(CS(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2[O-])CCOCC1 ZINC000650198112 651847153 /nfs/dbraw/zinc/84/71/53/651847153.db2.gz NOGIQDSKBKDNTP-UHFFFAOYSA-N -2 3 385.360 2.228 20 0 GEADHL CS(=O)(=O)c1nc([N-]C(=O)c2c(F)ccc(SCC3CC3)c2F)n[n-]1 ZINC000572930005 651922201 /nfs/dbraw/zinc/92/22/01/651922201.db2.gz QEILHINRCLAVPD-UHFFFAOYSA-N -2 3 388.421 2.241 20 0 GEADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000573202822 651941040 /nfs/dbraw/zinc/94/10/40/651941040.db2.gz JCDQLSKGJBGZBX-AAEUAGOBSA-N -2 3 382.463 2.288 20 0 GEADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cc(C)ccc1Cl ZINC000573414166 651953882 /nfs/dbraw/zinc/95/38/82/651953882.db2.gz HHZBKTPIYVCSAO-UHFFFAOYSA-N -2 3 392.861 2.496 20 0 GEADHL C[C@@H]1CCCc2nc(S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F)cn21 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CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000433501952 532571927 /nfs/dbraw/zinc/57/19/27/532571927.db2.gz NMMBRYWCJOQBNT-UHFFFAOYSA-N -4 3 383.403 2.311 20 0 GEADHL CC(C)(C)OC(=O)C1([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)CCCC1 ZINC000565715466 532574672 /nfs/dbraw/zinc/57/46/72/532574672.db2.gz ZCYOIXXDBILVGT-UHFFFAOYSA-N -2 3 375.468 2.379 20 0 GEADHL COc1ccc(F)c([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)c1 ZINC000433607758 532574821 /nfs/dbraw/zinc/57/48/21/532574821.db2.gz YEGKZXGEAVUJAQ-UHFFFAOYSA-N -2 3 392.405 2.146 20 0 GEADHL CC(C)(C)c1cc(Br)cc(NC(=O)c2n[nH]c(=O)[n-]c2=O)c1[O-] ZINC000655204636 532579776 /nfs/dbraw/zinc/57/97/76/532579776.db2.gz NMNFSNZLVLEOGD-UHFFFAOYSA-N -2 3 383.202 2.301 20 0 GEADHL O=C([O-])[C@H](CC1CCC1)[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000530472791 532620889 /nfs/dbraw/zinc/62/08/89/532620889.db2.gz JWPJMDQATYVNBS-ZDUSSCGKSA-N -2 3 386.857 2.146 20 0 GEADHL CC[C@H]([N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)[O-])O2)c1nc(C)cs1 ZINC000566176838 532597825 /nfs/dbraw/zinc/59/78/25/532597825.db2.gz NMEZXXPQTZUWFZ-GXTWGEPZSA-N -2 3 382.463 2.269 20 0 GEADHL CCc1nnc(C[N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)s1 ZINC000566316901 532604511 /nfs/dbraw/zinc/60/45/11/532604511.db2.gz SJXASBAOKLJIPY-UHFFFAOYSA-N -2 3 375.859 2.239 20 0 GEADHL Cc1cc(S(=O)(=O)[N-][C@@H](C[C@H]2CCCO2)C(F)(F)F)ccc1C(=O)[O-] ZINC000656179970 532609335 /nfs/dbraw/zinc/60/93/35/532609335.db2.gz CPXVNJGXXDTJBT-MFKMUULPSA-N -2 3 381.372 2.472 20 0 GEADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-][C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000656181121 532609721 /nfs/dbraw/zinc/60/97/21/532609721.db2.gz PAYXLUKQTSCDAQ-ZWNOBZJWSA-N -2 3 381.372 2.472 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](CC2CCC2)C(=O)[O-])cc1Cl ZINC000530525663 532624660 /nfs/dbraw/zinc/62/46/60/532624660.db2.gz NKPIRYGFKCDJIX-CYBMUJFWSA-N -2 3 392.836 2.359 20 0 GEADHL O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1Cl)c1ccc([O-])cc1F ZINC000436676057 532641885 /nfs/dbraw/zinc/64/18/85/532641885.db2.gz XQEGAAJCPBQODR-UHFFFAOYSA-N -2 3 390.795 2.032 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@]23C[C@H]2CCC3)c(F)c1 ZINC000657050765 532661985 /nfs/dbraw/zinc/66/19/85/532661985.db2.gz UWOMLEGKDQJZDF-IAQYHMDHSA-N -2 3 376.475 2.198 20 0 GEADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccc(-c3nncs3)cc2)c1 ZINC000439257975 532686550 /nfs/dbraw/zinc/68/65/50/532686550.db2.gz KCEJTEGGKBLXHK-UHFFFAOYSA-N -3 3 377.403 2.410 20 0 GEADHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)nc1)c1ncc(C(=O)[O-])s1 ZINC000567886504 532670814 /nfs/dbraw/zinc/67/08/14/532670814.db2.gz POAOUTHPEZZINC-ZCFIWIBFSA-N -2 3 381.357 2.295 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2nccs2)c(OC)c1 ZINC000536414672 532691653 /nfs/dbraw/zinc/69/16/53/532691653.db2.gz NTUBPYHJELLPNC-UHFFFAOYSA-N -2 3 391.496 2.104 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccccn2)c(OC)c1 ZINC000536416515 532691796 /nfs/dbraw/zinc/69/17/96/532691796.db2.gz UEMGXTWCGVWMFR-UHFFFAOYSA-N -2 3 385.467 2.043 20 0 GEADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](SC)C1 ZINC000569689899 532704391 /nfs/dbraw/zinc/70/43/91/532704391.db2.gz UQZXFLYXFKUOPF-GHMZBOCLSA-N -2 3 377.459 2.485 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2O)c(F)c1 ZINC000607102381 532705020 /nfs/dbraw/zinc/70/50/20/532705020.db2.gz QXNKKZJKEKVXLJ-UHFFFAOYSA-N -2 3 394.833 2.357 20 0 GEADHL O=C([O-])CCc1cccc(NC(=O)CC[N-]S(=O)(=O)c2cccs2)c1 ZINC000392739452 532708640 /nfs/dbraw/zinc/70/86/40/532708640.db2.gz XAMGBNOWIVFUFX-UHFFFAOYSA-N -2 3 382.463 2.072 20 0 GEADHL COc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCC[C@@]2(C)C(=O)[O-])cc1OC ZINC000392686145 532708785 /nfs/dbraw/zinc/70/87/85/532708785.db2.gz NYOWVCTXMVRXTN-GOEBONIOSA-N -2 3 375.418 2.155 20 0 GEADHL COc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCC[C@]2(C)C(=O)[O-])cc1OC ZINC000392686146 532708858 /nfs/dbraw/zinc/70/88/58/532708858.db2.gz NYOWVCTXMVRXTN-HOCLYGCPSA-N -2 3 375.418 2.155 20 0 GEADHL CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F)C(=O)OC ZINC000573248829 532710088 /nfs/dbraw/zinc/71/00/88/532710088.db2.gz JXKHOKKEOHWPJL-SKDRFNHKSA-N -2 3 375.418 2.088 20 0 GEADHL CC1(C)CCC[C@H]([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000442769873 532735205 /nfs/dbraw/zinc/73/52/05/532735205.db2.gz OMRHOXSMLYBROX-LBPRGKRZSA-N -2 3 378.491 2.444 20 0 GEADHL CCOC(=O)c1nc([N-]S(=O)(=O)Cc2ccccc2Br)c[n-]1 ZINC000588944941 532773192 /nfs/dbraw/zinc/77/31/92/532773192.db2.gz CHSDYXQRAVPDNV-UHFFFAOYSA-N -2 3 388.243 2.291 20 0 GEADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCCC[C@]1(C)C(=O)[O-] ZINC000547566397 532786803 /nfs/dbraw/zinc/78/68/03/532786803.db2.gz VEYAPZZBBOQKMZ-BBRMVZONSA-N -2 3 389.857 2.438 20 0 GEADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](Cc1c(F)cccc1Cl)C(=O)[O-] ZINC000547613240 532787441 /nfs/dbraw/zinc/78/74/41/532787441.db2.gz OLVFTIQAHDJQGD-GFCCVEGCSA-N -2 3 376.793 2.058 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(Cl)c2)c(C)o1 ZINC000547614456 532787568 /nfs/dbraw/zinc/78/75/68/532787568.db2.gz MEUMTIXBCHCVIU-CYBMUJFWSA-N -2 3 387.797 2.132 20 0 GEADHL COCCC1(C[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2OC)CC1 ZINC000325923542 532789528 /nfs/dbraw/zinc/78/95/28/532789528.db2.gz DEUGXBPSXWBFNL-UHFFFAOYSA-N -2 3 377.846 2.142 20 0 GEADHL CC[C@](C)(C[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC)C(=O)[O-] ZINC000548221962 532789872 /nfs/dbraw/zinc/78/98/72/532789872.db2.gz IEVBNOCMMPZCIV-MRXNPFEDSA-N -2 3 385.463 2.467 20 0 GEADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@H](C)CCC(=O)[O-] ZINC000548221584 532789928 /nfs/dbraw/zinc/78/99/28/532789928.db2.gz YJFAOXYWSWZXLQ-SNVBAGLBSA-N -2 3 385.463 2.467 20 0 GEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]C[C@@H](O)CC(C)(C)C ZINC000326917174 532790906 /nfs/dbraw/zinc/79/09/06/532790906.db2.gz QZOKOXXISIOOLL-JTQLQIEISA-N -2 3 379.862 2.122 20 0 GEADHL CCO[C@H]1C[C@@]([N-]S(=O)(=O)c2cccc(Cl)c2F)(C(=O)[O-])C1(C)C ZINC000548685196 532793355 /nfs/dbraw/zinc/79/33/55/532793355.db2.gz OINXDRFQBIGFRL-XHDPSFHLSA-N -2 3 379.837 2.416 20 0 GEADHL Cc1csc([C@@H]([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)C2CC2)n1 ZINC000273671699 532830098 /nfs/dbraw/zinc/83/00/98/532830098.db2.gz GHHVKBZSTSINBM-HNNXBMFYSA-N -2 3 382.463 2.345 20 0 GEADHL COCCOCCC[N-]S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000273696097 532831586 /nfs/dbraw/zinc/83/15/86/532831586.db2.gz CFTTYCXVTIXMKZ-UHFFFAOYSA-N -2 3 386.253 2.023 20 0 GEADHL C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)CCO1 ZINC000273680028 532830983 /nfs/dbraw/zinc/83/09/83/532830983.db2.gz HKJQLIMTGWWMOL-HTQZYQBOSA-N -2 3 398.300 2.302 20 0 GEADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(F)c1)c1nc(C)cs1 ZINC000273774721 532834068 /nfs/dbraw/zinc/83/40/68/532834068.db2.gz XYVLAZFNRGVTMR-GFCCVEGCSA-N -2 3 388.442 2.484 20 0 GEADHL C[C@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000273741129 532833298 /nfs/dbraw/zinc/83/32/98/532833298.db2.gz OQJGDJBSSHKHBI-QPUJVOFHSA-N -2 3 393.292 2.453 20 0 GEADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]CCCOCC2CC2)s1 ZINC000273764987 532833555 /nfs/dbraw/zinc/83/35/55/532833555.db2.gz PUSRFPHBLZZBCN-UHFFFAOYSA-N -2 3 398.300 2.304 20 0 GEADHL CCC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C(=O)[O-] ZINC000274919573 532859565 /nfs/dbraw/zinc/85/95/65/532859565.db2.gz ANFIIKJFBXPPBI-NSHDSACASA-N -2 3 398.662 2.203 20 0 GEADHL CCC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl)C(=O)[O-] ZINC000275001635 532861201 /nfs/dbraw/zinc/86/12/01/532861201.db2.gz LZZXRNNIXSSKPZ-MRVPVSSYSA-N -2 3 384.237 2.103 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H](C)C(=O)[O-])s1 ZINC000275076597 532863373 /nfs/dbraw/zinc/86/33/73/532863373.db2.gz XRMNYFIBPADBNR-HZMBPMFUSA-N -2 3 383.447 2.275 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CCC(=O)[O-])c2ccccc2)s1 ZINC000275223070 532869104 /nfs/dbraw/zinc/86/91/04/532869104.db2.gz ISPWEFVKLVOVIK-GFCCVEGCSA-N -2 3 383.447 2.419 20 0 GEADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]C2CCN(CC(=O)[O-])CC2)c1Cl ZINC000275276407 532871119 /nfs/dbraw/zinc/87/11/19/532871119.db2.gz NRXHMISGAGZZRM-UHFFFAOYSA-N -2 3 381.281 2.129 20 0 GEADHL C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000275278371 532871258 /nfs/dbraw/zinc/87/12/58/532871258.db2.gz RNHDDWXGUYFIHH-WCQYABFASA-N -2 3 391.873 2.429 20 0 GEADHL Cc1nc(CC[N-]S(=O)(=O)c2cc(C)c(F)cc2F)sc1C(=O)[O-] ZINC000275384653 532874456 /nfs/dbraw/zinc/87/44/56/532874456.db2.gz ZXOZCWHFHZEOJZ-UHFFFAOYSA-N -2 3 376.406 2.257 20 0 GEADHL CCO[C@H]1C[C@@]([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)(C(=O)[O-])C1(C)C ZINC000275409039 532875663 /nfs/dbraw/zinc/87/56/63/532875663.db2.gz AEHGHPBABJHDEE-XHDPSFHLSA-N -2 3 381.372 2.041 20 0 GEADHL CCO[C@H]1C[C@@]([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)(C(=O)[O-])C1(C)C ZINC000275620561 532879971 /nfs/dbraw/zinc/87/99/71/532879971.db2.gz LAXNDMMGNATEKM-SWLSCSKDSA-N -2 3 379.837 2.416 20 0 GEADHL Cc1nnc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)s1 ZINC000290687765 532886724 /nfs/dbraw/zinc/88/67/24/532886724.db2.gz QTOUJZQLIKLGSW-UHFFFAOYSA-N -2 3 396.277 2.373 20 0 GEADHL COc1cc([N-]S(=O)(=O)C[C@H](CC(C)C)OC)c(C(=O)[O-])cc1OC ZINC000421157527 532888709 /nfs/dbraw/zinc/88/87/09/532888709.db2.gz RRATVOARRMZIQS-NSHDSACASA-N -2 3 375.443 2.205 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCOCC(F)F)c(Cl)cc1Cl ZINC000276226291 532891634 /nfs/dbraw/zinc/89/16/34/532891634.db2.gz BWBBFFARMCIULK-UHFFFAOYSA-N -2 3 378.180 2.252 20 0 GEADHL O=C([O-])[C@H](CC(F)F)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000276929854 532903365 /nfs/dbraw/zinc/90/33/65/532903365.db2.gz QSTZQHQWANRYQS-LURJTMIESA-N -2 3 392.605 2.489 20 0 GEADHL CSCC[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)[N-]OC/C=C/Cl ZINC000291872702 532910079 /nfs/dbraw/zinc/91/00/79/532910079.db2.gz PQMHHICPNHQOFV-GXWOQWCDSA-N -2 3 396.893 2.026 20 0 GEADHL CO[C@@](C)(C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br)C1CC1 ZINC000292701918 532917824 /nfs/dbraw/zinc/91/78/24/532917824.db2.gz SCHJTIZJEPSKEA-LBPRGKRZSA-N -2 3 398.300 2.302 20 0 GEADHL O=C([N-]S(=O)(=O)CC1CC1)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738139184 598857499 /nfs/dbraw/zinc/85/74/99/598857499.db2.gz LXUSXZQRUUYZCS-UHFFFAOYSA-N -2 3 399.432 2.129 20 0 GEADHL O=C([N-]S(=O)(=O)CC1CC1)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738139184 598857501 /nfs/dbraw/zinc/85/75/01/598857501.db2.gz LXUSXZQRUUYZCS-UHFFFAOYSA-N -2 3 399.432 2.129 20 0 GEADHL CC(=O)Nc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000735483936 598948240 /nfs/dbraw/zinc/94/82/40/598948240.db2.gz DRGMBRJHRDIAPH-UHFFFAOYSA-N -2 3 386.437 2.243 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)cccc1-c1nn[n-]n1 ZINC000822130572 607255372 /nfs/dbraw/zinc/25/53/72/607255372.db2.gz WBXOLTHPKZHLNS-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL CC(C)=C[C@@H]1[C@@H](C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)C1(C)C ZINC000735680357 598975649 /nfs/dbraw/zinc/97/56/49/598975649.db2.gz UYLYRFYDYONGKA-HIFRSBDPSA-N -2 3 389.481 2.218 20 0 GEADHL CC(C)=C[C@@H]1[C@@H](C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)C1(C)C ZINC000735680357 598975651 /nfs/dbraw/zinc/97/56/51/598975651.db2.gz UYLYRFYDYONGKA-HIFRSBDPSA-N -2 3 389.481 2.218 20 0 GEADHL CC[C@@H](C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C)c1ccccc1 ZINC000736313745 598975767 /nfs/dbraw/zinc/97/57/67/598975767.db2.gz PEBKGFKSVDOGJK-OAHLLOKOSA-N -2 3 385.449 2.174 20 0 GEADHL CC[C@@H](C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C)c1ccccc1 ZINC000736313745 598975769 /nfs/dbraw/zinc/97/57/69/598975769.db2.gz PEBKGFKSVDOGJK-OAHLLOKOSA-N -2 3 385.449 2.174 20 0 GEADHL CC(C)=C[C@@H]1[C@H](C(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)C1(C)C ZINC000735680359 598975913 /nfs/dbraw/zinc/97/59/13/598975913.db2.gz UYLYRFYDYONGKA-UKRRQHHQSA-N -2 3 389.481 2.218 20 0 GEADHL CC(C)=C[C@@H]1[C@H](C(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)C1(C)C ZINC000735680359 598975915 /nfs/dbraw/zinc/97/59/15/598975915.db2.gz UYLYRFYDYONGKA-UKRRQHHQSA-N -2 3 389.481 2.218 20 0 GEADHL CCc1ccc(CCC(=O)[N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC000736684154 598974545 /nfs/dbraw/zinc/97/45/45/598974545.db2.gz VMOYCGBGKBHAAA-UHFFFAOYSA-N -2 3 399.476 2.175 20 0 GEADHL CCc1ccc(CCC(=O)[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC000736684154 598974547 /nfs/dbraw/zinc/97/45/47/598974547.db2.gz VMOYCGBGKBHAAA-UHFFFAOYSA-N -2 3 399.476 2.175 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C[C@H](C)CC(C)(C)C ZINC000737300493 598976681 /nfs/dbraw/zinc/97/66/81/598976681.db2.gz ZJVFFYYOHZCCJI-NSHDSACASA-N -2 3 379.486 2.442 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C[C@H](C)CC(C)(C)C ZINC000737300493 598976682 /nfs/dbraw/zinc/97/66/82/598976682.db2.gz ZJVFFYYOHZCCJI-NSHDSACASA-N -2 3 379.486 2.442 20 0 GEADHL COc1cc(-c2nn[n-]n2)ccc1OCCO[N-]C(=O)C(C)(C)c1ccccc1 ZINC000737033288 598979924 /nfs/dbraw/zinc/97/99/24/598979924.db2.gz UVGLNERAPNTZNN-UHFFFAOYSA-N -2 3 397.435 2.280 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)n1 ZINC000737225199 599029639 /nfs/dbraw/zinc/02/96/39/599029639.db2.gz KNHJAEMHBYJKFB-UHFFFAOYSA-N -2 3 384.343 2.390 20 0 GEADHL C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(F)c1 ZINC000735975332 599190286 /nfs/dbraw/zinc/19/02/86/599190286.db2.gz LDQQMBOFFFOHRK-NSHDSACASA-N -2 3 389.412 2.005 20 0 GEADHL C[C@@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1 ZINC000735975332 599190289 /nfs/dbraw/zinc/19/02/89/599190289.db2.gz LDQQMBOFFFOHRK-NSHDSACASA-N -2 3 389.412 2.005 20 0 GEADHL CSc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)nc1 ZINC000737190076 599192351 /nfs/dbraw/zinc/19/23/51/599192351.db2.gz KWKSCPLQQVYILU-UHFFFAOYSA-N -2 3 382.858 2.438 20 0 GEADHL CC(=CC(=O)N=c1[n-]c(C)nn1-c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735446884 599200807 /nfs/dbraw/zinc/20/08/07/599200807.db2.gz HFTGZACWFWPYKW-OUKQBFOZSA-N -2 3 386.419 2.220 20 0 GEADHL CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NC2(C(=O)[O-])CCCC2)ccc1F ZINC000738702219 597034569 /nfs/dbraw/zinc/03/45/69/597034569.db2.gz ATQAWGLFYXCRFB-UHFFFAOYSA-N -2 3 386.445 2.030 20 0 GEADHL O=C([O-])CNC(=O)CSCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000821534170 597753866 /nfs/dbraw/zinc/75/38/66/597753866.db2.gz HGXMYOCQXLNTJX-UHFFFAOYSA-N -2 3 379.419 2.091 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C(C)(C)Cc1ccccc1 ZINC000737297949 599286043 /nfs/dbraw/zinc/28/60/43/599286043.db2.gz GZBWHLFEOFGFAB-UHFFFAOYSA-N -2 3 399.476 2.249 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C(C)(C)Cc1ccccc1 ZINC000737297949 599286045 /nfs/dbraw/zinc/28/60/45/599286045.db2.gz GZBWHLFEOFGFAB-UHFFFAOYSA-N -2 3 399.476 2.249 20 0 GEADHL COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737107898 598400036 /nfs/dbraw/zinc/40/00/36/598400036.db2.gz GISIGSKTCQAHJD-UHFFFAOYSA-N -2 3 389.437 2.463 20 0 GEADHL COc1ccc(OC(C)C)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737107898 598400037 /nfs/dbraw/zinc/40/00/37/598400037.db2.gz GISIGSKTCQAHJD-UHFFFAOYSA-N -2 3 389.437 2.463 20 0 GEADHL Cn1c2ccc(Cl)cc2nc1[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737598037 598416663 /nfs/dbraw/zinc/41/66/63/598416663.db2.gz WHMLOKXFRSPXGZ-UHFFFAOYSA-N -2 3 389.828 2.208 20 0 GEADHL Cn1c2ccc(Cl)cc2nc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737598037 598416665 /nfs/dbraw/zinc/41/66/65/598416665.db2.gz WHMLOKXFRSPXGZ-UHFFFAOYSA-N -2 3 389.828 2.208 20 0 GEADHL COc1cccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC(C)C)c1 ZINC000737140626 598452639 /nfs/dbraw/zinc/45/26/39/598452639.db2.gz GULKMXLGHFJCDS-UHFFFAOYSA-N -2 3 389.437 2.463 20 0 GEADHL O=C(C[C@H]1CCCc2ccccc21)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737824529 598516497 /nfs/dbraw/zinc/51/64/97/598516497.db2.gz XCFROGQPFIFWJP-CQSZACIVSA-N -2 3 397.460 2.182 20 0 GEADHL O=C(C[C@H]1CCCc2ccccc21)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737824529 598516499 /nfs/dbraw/zinc/51/64/99/598516499.db2.gz XCFROGQPFIFWJP-CQSZACIVSA-N -2 3 397.460 2.182 20 0 GEADHL CCc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000736690856 598536120 /nfs/dbraw/zinc/53/61/20/598536120.db2.gz WGODVGCVBQGTLC-CYBMUJFWSA-N -2 3 399.476 2.179 20 0 GEADHL CCc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000736690856 598536122 /nfs/dbraw/zinc/53/61/22/598536122.db2.gz WGODVGCVBQGTLC-CYBMUJFWSA-N -2 3 399.476 2.179 20 0 GEADHL CC[C@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000736352220 598785057 /nfs/dbraw/zinc/78/50/57/598785057.db2.gz JIXPPOBSCRVTNI-OAHLLOKOSA-N -2 3 399.476 2.082 20 0 GEADHL CC[C@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000736352220 598785059 /nfs/dbraw/zinc/78/50/59/598785059.db2.gz JIXPPOBSCRVTNI-OAHLLOKOSA-N -2 3 399.476 2.082 20 0 GEADHL C[C@@H](OC(=O)c1c(F)cc([O-])cc1F)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736158928 599367406 /nfs/dbraw/zinc/36/74/06/599367406.db2.gz KHJVOUNIXKTKLL-MRVPVSSYSA-N -2 3 389.318 2.035 20 0 GEADHL C[C@@H](OC(=O)c1c(F)cc([O-])cc1F)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000736158928 599367407 /nfs/dbraw/zinc/36/74/07/599367407.db2.gz KHJVOUNIXKTKLL-MRVPVSSYSA-N -2 3 389.318 2.035 20 0 GEADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2cnn(C(C)C)c2)cc1-c1nnn[n-]1 ZINC000820178583 607375570 /nfs/dbraw/zinc/37/55/70/607375570.db2.gz UYEGBDLNDBNLLQ-UHFFFAOYSA-N -2 3 391.457 2.232 20 0 GEADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2cnn(C(C)C)c2)cc1-c1nn[n-]n1 ZINC000820178583 607375571 /nfs/dbraw/zinc/37/55/71/607375571.db2.gz UYEGBDLNDBNLLQ-UHFFFAOYSA-N -2 3 391.457 2.232 20 0 GEADHL Cc1cc(Cl)c(NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)c(C(=O)[O-])c1 ZINC000737264899 599456139 /nfs/dbraw/zinc/45/61/39/599456139.db2.gz QVLYSVFMCOUSCF-UHFFFAOYSA-N -2 3 393.812 2.328 20 0 GEADHL Cc1cc(Cl)c(NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)c(C(=O)[O-])c1 ZINC000737264899 599456142 /nfs/dbraw/zinc/45/61/42/599456142.db2.gz QVLYSVFMCOUSCF-UHFFFAOYSA-N -2 3 393.812 2.328 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cc(-c2cccs2)[nH]n1 ZINC000737300550 599518758 /nfs/dbraw/zinc/51/87/58/599518758.db2.gz ARDLEKBYUQEBOP-UHFFFAOYSA-N -2 3 387.450 2.428 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(OCC(F)(F)F)cc2)o1 ZINC000392193480 599768992 /nfs/dbraw/zinc/76/89/92/599768992.db2.gz POSVKVGIVOJZCS-UHFFFAOYSA-N -2 3 379.312 2.397 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2cc(Br)ccc2F)o1 ZINC000041069424 599769372 /nfs/dbraw/zinc/76/93/72/599769372.db2.gz VLDFVHDSWUMCLS-UHFFFAOYSA-N -2 3 378.175 2.358 20 0 GEADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(Br)cc(F)c1OC)C(=O)[O-] ZINC000737238210 599773166 /nfs/dbraw/zinc/77/31/66/599773166.db2.gz XKQVTCQMUDGXAW-CPCISQLKSA-N -2 3 398.250 2.374 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCC(=O)Nc2ccc(Cl)cc2)o1 ZINC000739234262 599773628 /nfs/dbraw/zinc/77/36/28/599773628.db2.gz USGGLAZBCNZTPN-UHFFFAOYSA-N -2 3 386.813 2.328 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2F)c(C(=O)[O-])s1 ZINC000737680853 599813684 /nfs/dbraw/zinc/81/36/84/599813684.db2.gz MUXGDQULKBSILI-UHFFFAOYSA-N -2 3 377.346 2.312 20 0 GEADHL Cc1ccc(C(=O)NCCC(=O)Nc2ccc(OCCC(=O)[O-])cc2)c([O-])c1 ZINC000738514373 599815923 /nfs/dbraw/zinc/81/59/23/599815923.db2.gz DPTDPCMWLNAEMU-UHFFFAOYSA-N -2 3 386.404 2.313 20 0 GEADHL O=C([O-])Cc1csc([N-]C(=O)c2sccc2S(=O)(=O)C(F)F)n1 ZINC000738633860 599819936 /nfs/dbraw/zinc/81/99/36/599819936.db2.gz UMPVIIWBJGPFPT-UHFFFAOYSA-N -2 3 382.391 2.080 20 0 GEADHL CSc1ccc([C@@H](CC(=O)[O-])NC(=O)CNC(=O)c2ccc([O-])cc2)cc1 ZINC000738201588 599863160 /nfs/dbraw/zinc/86/31/60/599863160.db2.gz RQTGSGSQJIXUGH-MRXNPFEDSA-N -2 3 388.445 2.176 20 0 GEADHL O=C([O-])[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000002928180 599873945 /nfs/dbraw/zinc/87/39/45/599873945.db2.gz BMVLHGKVMNJUSG-JTQLQIEISA-N -2 3 390.280 2.485 20 0 GEADHL Cc1cccc(C[C@H](CNC(=O)CCNC(=O)c2ccc(C)cc2[O-])C(=O)[O-])c1 ZINC000738701757 600103564 /nfs/dbraw/zinc/10/35/64/600103564.db2.gz FNQWGXWEIIGDOF-QGZVFWFLSA-N -2 3 398.459 2.189 20 0 GEADHL C[C@@H]1CN(c2ccc([N-]S(=O)(=O)c3ccc(CC(=O)[O-])cc3)cc2)CCO1 ZINC000267229134 600256323 /nfs/dbraw/zinc/25/63/23/600256323.db2.gz WDUIVFYTSTYWLL-CQSZACIVSA-N -2 3 390.461 2.340 20 0 GEADHL O=C([O-])c1ccc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c(F)c1 ZINC000740148299 600400667 /nfs/dbraw/zinc/40/06/67/600400667.db2.gz ULLORUFKCKQWFY-UHFFFAOYSA-N -2 3 387.367 2.219 20 0 GEADHL CC(C)(C)OC(=O)C1([N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CCCC1 ZINC000563076346 600416536 /nfs/dbraw/zinc/41/65/36/600416536.db2.gz UXMUTWSMEMFSRH-UHFFFAOYSA-N -2 3 383.466 2.459 20 0 GEADHL CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3F)cc21 ZINC000484533887 600611848 /nfs/dbraw/zinc/61/18/48/600611848.db2.gz BRBTXOLEXFEHES-UHFFFAOYSA-N -2 3 378.381 2.234 20 0 GEADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2F)CCC(=O)N3)cc1 ZINC000481977377 600627163 /nfs/dbraw/zinc/62/71/63/600627163.db2.gz NISOHFIOALDAMH-UHFFFAOYSA-N -2 3 378.381 2.138 20 0 GEADHL CC(C)(C)OCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736286801 600633146 /nfs/dbraw/zinc/63/31/46/600633146.db2.gz VSRQSALFVBTANX-UHFFFAOYSA-N -2 3 398.250 2.380 20 0 GEADHL CCCCOCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000736999076 600633720 /nfs/dbraw/zinc/63/37/20/600633720.db2.gz ICSFRUSQMRATNZ-UHFFFAOYSA-N -2 3 398.250 2.381 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1OC ZINC000262526808 600658830 /nfs/dbraw/zinc/65/88/30/600658830.db2.gz HBKWCYZGAIHLHS-NEPJUHHUSA-N -2 3 384.454 2.286 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)cc1C(=O)[O-] ZINC000738064080 600679051 /nfs/dbraw/zinc/67/90/51/600679051.db2.gz QZOJEQGAPAXMET-UHFFFAOYSA-N -3 3 387.316 2.171 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)[C@H](C)O3)cc1C(=O)[O-] ZINC000013032977 600808301 /nfs/dbraw/zinc/80/83/01/600808301.db2.gz YTJGYVUEUJTYOG-JTQLQIEISA-N -2 3 376.390 2.213 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1C(=O)[O-] ZINC000013032979 600808726 /nfs/dbraw/zinc/80/87/26/600808726.db2.gz YTJGYVUEUJTYOG-SNVBAGLBSA-N -2 3 376.390 2.213 20 0 GEADHL O=S(=O)([N-]c1cccc(-c2nnn[n-]2)c1)c1c(F)c(F)c(F)c(F)c1F ZINC000823589047 607470961 /nfs/dbraw/zinc/47/09/61/607470961.db2.gz JTXOLXWXPOMELG-UHFFFAOYSA-N -2 3 391.281 2.363 20 0 GEADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1c(F)c(F)c(F)c(F)c1F ZINC000823589047 607470963 /nfs/dbraw/zinc/47/09/63/607470963.db2.gz JTXOLXWXPOMELG-UHFFFAOYSA-N -2 3 391.281 2.363 20 0 GEADHL CCn1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2Br)cn1 ZINC000737303147 600897353 /nfs/dbraw/zinc/89/73/53/600897353.db2.gz OSSKROWLAIPTDS-UHFFFAOYSA-N -2 3 392.206 2.304 20 0 GEADHL CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1cccs1 ZINC000830584842 600991211 /nfs/dbraw/zinc/99/12/11/600991211.db2.gz DEJPLXXCTSYJFA-JTQLQIEISA-N -2 3 390.433 2.306 20 0 GEADHL O=C([O-])c1ccsc1N1CC[C@@H](OC(=O)c2cc(-c3ccco3)[n-]n2)C1=O ZINC000833350925 601098552 /nfs/dbraw/zinc/09/85/52/601098552.db2.gz HDPJQDHAUPIFLT-CYBMUJFWSA-N -2 3 387.373 2.392 20 0 GEADHL O=C([O-])c1ccsc1N1CC[C@@H](OC(=O)c2cc(-c3ccco3)n[n-]2)C1=O ZINC000833350925 601098555 /nfs/dbraw/zinc/09/85/55/601098555.db2.gz HDPJQDHAUPIFLT-CYBMUJFWSA-N -2 3 387.373 2.392 20 0 GEADHL Cc1ccc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)cc1C(=O)[O-] ZINC000832943492 601109870 /nfs/dbraw/zinc/10/98/70/601109870.db2.gz BPFRABYVUBODRO-UHFFFAOYSA-N -2 3 388.854 2.325 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@H](c2nccn2C)c2ccccc2)cc1C(=O)[O-] ZINC000833027561 601215408 /nfs/dbraw/zinc/21/54/08/601215408.db2.gz GZOYBNWFCZMRTD-HNNXBMFYSA-N -2 3 375.406 2.088 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCCN(Cc3ccccc3)C2)cc1C(=O)[O-] ZINC000833027163 601216346 /nfs/dbraw/zinc/21/63/46/601216346.db2.gz DLFZKOJVEYZASV-OAHLLOKOSA-N -2 3 378.450 2.229 20 0 GEADHL Cc1oc(S(=O)(=O)[N-]C2CCN(Cc3ccc(F)cc3)CC2)cc1C(=O)[O-] ZINC000833028710 601217872 /nfs/dbraw/zinc/21/78/72/601217872.db2.gz ORKDXJGKRXZGRL-UHFFFAOYSA-N -2 3 396.440 2.368 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@H](Cc2nccn2C)c2ccccc2)cc1C(=O)[O-] ZINC000833028880 601224458 /nfs/dbraw/zinc/22/44/58/601224458.db2.gz RRMGBVZWVPGZJG-OAHLLOKOSA-N -2 3 389.433 2.282 20 0 GEADHL CC[C@@](C)(CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)C1OCCO1 ZINC000828677980 601225485 /nfs/dbraw/zinc/22/54/85/601225485.db2.gz PONIICHJMWXOSV-INIZCTEOSA-N -2 3 375.443 2.134 20 0 GEADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCCN(C(=O)[O-])C2)sc1Br ZINC000832902527 601256506 /nfs/dbraw/zinc/25/65/06/601256506.db2.gz ALZDOWFEIAEQFG-QMMMGPOBSA-N -2 3 383.289 2.240 20 0 GEADHL COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)ccc1C ZINC000476401998 601334364 /nfs/dbraw/zinc/33/43/64/601334364.db2.gz CNSCPGQOLPJMFL-UHFFFAOYSA-N -2 3 379.390 2.046 20 0 GEADHL CN1CCN(c2ccccc2[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)CC1 ZINC000013270176 601359399 /nfs/dbraw/zinc/35/93/99/601359399.db2.gz WNJGJNBDMZFESJ-UHFFFAOYSA-N -2 3 393.440 2.077 20 0 GEADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000831083868 601387356 /nfs/dbraw/zinc/38/73/56/601387356.db2.gz CQBHOAQSNWCRBD-INIZCTEOSA-N -2 3 397.836 2.160 20 0 GEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000831467340 601388014 /nfs/dbraw/zinc/38/80/14/601388014.db2.gz XZJVDLRVGPBOQY-GFCCVEGCSA-N -2 3 389.838 2.292 20 0 GEADHL CC[C@](C)(CC(=O)[O-])NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000767051939 601464925 /nfs/dbraw/zinc/46/49/25/601464925.db2.gz USEZPNXYWLGCNV-QGZVFWFLSA-N -2 3 397.428 2.328 20 0 GEADHL CC(C)[C@H]([N-]S(=O)(=O)CC1(CC(=O)[O-])CC1)c1nc(-c2ccncc2)no1 ZINC000826717057 601512402 /nfs/dbraw/zinc/51/24/02/601512402.db2.gz NNSLLWDQROHJSE-AWEZNQCLSA-N -2 3 394.453 2.003 20 0 GEADHL CCOC(=O)c1sc2[n-]c([C@H](C)N3C[C@H](C)[C@H](C(=O)[O-])C3)nc(=O)c2c1C ZINC000829901024 601522746 /nfs/dbraw/zinc/52/27/46/601522746.db2.gz IKQRDZXWGAOCRR-INTQDDNPSA-N -2 3 393.465 2.183 20 0 GEADHL COC(=O)c1c(F)ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CCCCC2)c1F ZINC000831226440 601596582 /nfs/dbraw/zinc/59/65/82/601596582.db2.gz LJXHNNLNVZICMP-CQSZACIVSA-N -2 3 391.392 2.063 20 0 GEADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)ccc1F ZINC000831029458 601625296 /nfs/dbraw/zinc/62/52/96/601625296.db2.gz SFMPLOVGDYEOAR-UHFFFAOYSA-N -2 3 394.424 2.348 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(OCC(C)C)nc2)c1-c1nnn[n-]1 ZINC000826304168 607537122 /nfs/dbraw/zinc/53/71/22/607537122.db2.gz ZPPHXQTUDDMRJG-UHFFFAOYSA-N -2 3 388.453 2.406 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(OCC(C)C)nc2)c1-c1nn[n-]n1 ZINC000826304168 607537124 /nfs/dbraw/zinc/53/71/24/607537124.db2.gz ZPPHXQTUDDMRJG-UHFFFAOYSA-N -2 3 388.453 2.406 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCCCC[C@@H]2C(=O)[O-])s1 ZINC000547616272 601991471 /nfs/dbraw/zinc/99/14/71/601991471.db2.gz ZOMDRFCQRYNKCZ-WDEREUQCSA-N -2 3 375.468 2.237 20 0 GEADHL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000826167350 607537667 /nfs/dbraw/zinc/53/76/67/607537667.db2.gz ZTAFOWGNNAYROD-UHFFFAOYSA-N -2 3 381.364 2.263 20 0 GEADHL COc1c(F)cc(F)cc1[N-]S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826167350 607537668 /nfs/dbraw/zinc/53/76/68/607537668.db2.gz ZTAFOWGNNAYROD-UHFFFAOYSA-N -2 3 381.364 2.263 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccc(Cl)o2)c(Br)o1 ZINC000698073951 602141296 /nfs/dbraw/zinc/14/12/96/602141296.db2.gz KAUQNGGPJLAUAA-UHFFFAOYSA-N -2 3 384.591 2.465 20 0 GEADHL CCOc1cc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)ccc1OCC(=O)[O-] ZINC000830038263 602144271 /nfs/dbraw/zinc/14/42/71/602144271.db2.gz NYWWDMGCAJRMHE-UHFFFAOYSA-N -2 3 386.364 2.488 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccc(F)cc2F)c(Br)o1 ZINC000315442297 602149028 /nfs/dbraw/zinc/14/90/28/602149028.db2.gz VLBFNGAYFFPSBN-UHFFFAOYSA-N -2 3 396.165 2.497 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC(C2CC2)C2CC2)c(Br)o1 ZINC000091328243 602160118 /nfs/dbraw/zinc/16/01/18/602160118.db2.gz HNPKNQZMUHAJLG-UHFFFAOYSA-N -2 3 378.244 2.455 20 0 GEADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OCC(=O)[O-])c2)cc1 ZINC000830085453 602241478 /nfs/dbraw/zinc/24/14/78/602241478.db2.gz XHPUNPVVIFCGDH-UHFFFAOYSA-N -2 3 393.417 2.436 20 0 GEADHL C[C@H](CCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000824400651 607558620 /nfs/dbraw/zinc/55/86/20/607558620.db2.gz JRWQUNPTMWWXLV-CQSZACIVSA-N -2 3 399.476 2.397 20 0 GEADHL C[C@H](CCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000824400651 607558622 /nfs/dbraw/zinc/55/86/22/607558622.db2.gz JRWQUNPTMWWXLV-CQSZACIVSA-N -2 3 399.476 2.397 20 0 GEADHL CCC[C@@H](NC(=O)[O-])C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000739321612 602522564 /nfs/dbraw/zinc/52/25/64/602522564.db2.gz VVKDGDOHYPBBPR-SNVBAGLBSA-N -2 3 397.375 2.452 20 0 GEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@H](CNC(=O)[O-])C2CCCCC2)c1 ZINC000739793509 602568809 /nfs/dbraw/zinc/56/88/09/602568809.db2.gz QOKXEPJIFGIFQN-GFCCVEGCSA-N -2 3 390.483 2.030 20 0 GEADHL O=C([O-])NC1CCC([N-]S(=O)(=O)c2ccc(Br)s2)CC1 ZINC000740559422 603087524 /nfs/dbraw/zinc/08/75/24/603087524.db2.gz CXSSVPIAIGFCOG-UHFFFAOYSA-N -2 3 383.289 2.368 20 0 GEADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCCN(C(=O)[O-])C2)s1 ZINC000829900096 603119097 /nfs/dbraw/zinc/11/90/97/603119097.db2.gz OYTZCOVVBCCXAQ-MRVPVSSYSA-N -2 3 383.289 2.240 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-]CCc2ccc(NC(=O)[O-])cc2)s1 ZINC000737700683 603581015 /nfs/dbraw/zinc/58/10/15/603581015.db2.gz SBXFBGPTUDEFER-UHFFFAOYSA-N -2 3 384.435 2.146 20 0 GEADHL CCN(Cc1cccc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)c1)C(=O)[O-] ZINC000827168253 603731373 /nfs/dbraw/zinc/73/13/73/603731373.db2.gz XVHTWXCYEYBDHT-UHFFFAOYSA-N -2 3 389.383 2.286 20 0 GEADHL C[C@H](C(=O)OCC(=O)[N-]C(=O)c1cccs1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823731379 604027531 /nfs/dbraw/zinc/02/75/31/604027531.db2.gz MAQDSJZSPWCZFD-XHDPSFHLSA-N -2 3 390.417 2.193 20 0 GEADHL C[C@H](O)C[C@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1ccccc1 ZINC000827790225 604407707 /nfs/dbraw/zinc/40/77/07/604407707.db2.gz OTILJHLMUNBTEC-WCQYABFASA-N -2 3 399.415 2.496 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2ccn(C3CCCC3)n2)c1F ZINC000833294308 604418249 /nfs/dbraw/zinc/41/82/49/604418249.db2.gz QHHQRDKHIIIEDP-UHFFFAOYSA-N -2 3 385.392 2.453 20 0 GEADHL CC(C)[C@H](O)C(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000833471829 604459960 /nfs/dbraw/zinc/45/99/60/604459960.db2.gz TZFZXTVXXUAOFN-JTQLQIEISA-N -2 3 398.275 2.062 20 0 GEADHL CCc1nc(C2([N-]S(=O)(=O)c3ccc(F)cc3C(=O)[O-])CCCC2)no1 ZINC000833674801 604692132 /nfs/dbraw/zinc/69/21/32/604692132.db2.gz WKZTZPSUCCYAPK-UHFFFAOYSA-N 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CC(C)(C)OC(=O)N1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833440002 605197156 /nfs/dbraw/zinc/19/71/56/605197156.db2.gz SLZNVAMKJICELE-GFCCVEGCSA-N -2 3 388.442 2.046 20 0 GEADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C[C@H]3CSCCN3C(=O)[O-])cc2)n1 ZINC000829894309 605642259 /nfs/dbraw/zinc/64/22/59/605642259.db2.gz POIVEVHAIIAAKX-AWEZNQCLSA-N -2 3 388.449 2.169 20 0 GEADHL CC(C)(CNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(=O)[O-] ZINC000833458426 605717898 /nfs/dbraw/zinc/71/78/98/605717898.db2.gz SQBUAUWAZSOXJM-QGZVFWFLSA-N -2 3 384.432 2.480 20 0 GEADHL O=C([O-])N1CCC2(C[C@@H]2C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)CC1 ZINC000834058110 605934511 /nfs/dbraw/zinc/93/45/11/605934511.db2.gz KMPOAYQCPBSSLP-SECBINFHSA-N -2 3 377.351 2.469 20 0 GEADHL O=C([O-])N1CCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000834112221 605980463 /nfs/dbraw/zinc/98/04/63/605980463.db2.gz NFLYZXXPMFPDOT-UHFFFAOYSA-N -2 3 393.396 2.367 20 0 GEADHL O=C([O-])NCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1 ZINC000834245189 606081418 /nfs/dbraw/zinc/08/14/18/606081418.db2.gz JHIIEZRWNNIRTQ-UHFFFAOYSA-N -2 3 378.406 2.069 20 0 GEADHL CCc1ccc(C(C)(C)C(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821476558 606176464 /nfs/dbraw/zinc/17/64/64/606176464.db2.gz PMCXGNFAJOZCAV-UHFFFAOYSA-N -2 3 399.476 2.212 20 0 GEADHL CCc1ccc(C(C)(C)C(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821476558 606176465 /nfs/dbraw/zinc/17/64/65/606176465.db2.gz PMCXGNFAJOZCAV-UHFFFAOYSA-N -2 3 399.476 2.212 20 0 GEADHL Cc1ccc(CCCC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822236393 606206190 /nfs/dbraw/zinc/20/61/90/606206190.db2.gz XPOWYXVOKVFXOI-UHFFFAOYSA-N -2 3 391.478 2.064 20 0 GEADHL Cc1ccc(CCCC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822236393 606206192 /nfs/dbraw/zinc/20/61/92/606206192.db2.gz XPOWYXVOKVFXOI-UHFFFAOYSA-N -2 3 391.478 2.064 20 0 GEADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)cc1C ZINC000821426757 606212013 /nfs/dbraw/zinc/21/20/13/606212013.db2.gz IULBLFZLKCFHRA-UHFFFAOYSA-N -2 3 375.410 2.080 20 0 GEADHL O=C([O-])c1ccc2c(=O)n3c(nc2c1)C(=Cc1cc(-c2nnn[n-]2)cs1)CC3 ZINC000823392836 606304754 /nfs/dbraw/zinc/30/47/54/606304754.db2.gz UDNOEPCQXZIMKV-UITAMQMPSA-N -2 3 392.400 2.281 20 0 GEADHL O=C([O-])c1ccc2c(=O)n3c(nc2c1)C(=Cc1cc(-c2nn[n-]n2)cs1)CC3 ZINC000823392836 606304756 /nfs/dbraw/zinc/30/47/56/606304756.db2.gz UDNOEPCQXZIMKV-UITAMQMPSA-N -2 3 392.400 2.281 20 0 GEADHL O=S(=O)([N-]c1ccccc1O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823589121 606339614 /nfs/dbraw/zinc/33/96/14/606339614.db2.gz OEKHDODOQZPFBI-UHFFFAOYSA-N -2 3 385.327 2.392 20 0 GEADHL O=S(=O)([N-]c1ccccc1O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823589121 606339616 /nfs/dbraw/zinc/33/96/16/606339616.db2.gz OEKHDODOQZPFBI-UHFFFAOYSA-N -2 3 385.327 2.392 20 0 GEADHL CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821062549 606393128 /nfs/dbraw/zinc/39/31/28/606393128.db2.gz XGZSXXMSKDRLAM-UHFFFAOYSA-N -2 3 375.458 2.363 20 0 GEADHL CCCCCn1nc(C)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821062549 606393129 /nfs/dbraw/zinc/39/31/29/606393129.db2.gz XGZSXXMSKDRLAM-UHFFFAOYSA-N -2 3 375.458 2.363 20 0 GEADHL CC(C)c1nnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000820211312 606468425 /nfs/dbraw/zinc/46/84/25/606468425.db2.gz IBIYEZHSGWGGQY-UHFFFAOYSA-N -2 3 385.862 2.296 20 0 GEADHL CC(C)c1nnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000820211312 606468426 /nfs/dbraw/zinc/46/84/26/606468426.db2.gz IBIYEZHSGWGGQY-UHFFFAOYSA-N -2 3 385.862 2.296 20 0 GEADHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000822206064 606606833 /nfs/dbraw/zinc/60/68/33/606606833.db2.gz SMVAUKVXWKDQFA-UHFFFAOYSA-N -2 3 379.421 2.067 20 0 GEADHL CC(C)CC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820051341 606611882 /nfs/dbraw/zinc/61/18/82/606611882.db2.gz NOXJUHHBCYAOIY-UHFFFAOYSA-N -2 3 385.877 2.397 20 0 GEADHL CC(C)CC(C)(C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820051341 606611883 /nfs/dbraw/zinc/61/18/83/606611883.db2.gz NOXJUHHBCYAOIY-UHFFFAOYSA-N -2 3 385.877 2.397 20 0 GEADHL O=S(=O)([N-]c1cc(Br)ccc1O)c1cccc(-c2nnn[n-]2)c1 ZINC000823583624 606622329 /nfs/dbraw/zinc/62/23/29/606622329.db2.gz WGABUEYWJHPXMB-UHFFFAOYSA-N -2 3 396.226 2.136 20 0 GEADHL O=S(=O)([N-]c1cc(Br)ccc1O)c1cccc(-c2nn[n-]n2)c1 ZINC000823583624 606622330 /nfs/dbraw/zinc/62/23/30/606622330.db2.gz WGABUEYWJHPXMB-UHFFFAOYSA-N -2 3 396.226 2.136 20 0 GEADHL CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000820112159 606622813 /nfs/dbraw/zinc/62/28/13/606622813.db2.gz KNZGKQDGBAMPMB-UHFFFAOYSA-N -2 3 381.849 2.173 20 0 GEADHL CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000820112159 606622814 /nfs/dbraw/zinc/62/28/14/606622814.db2.gz KNZGKQDGBAMPMB-UHFFFAOYSA-N -2 3 381.849 2.173 20 0 GEADHL O=C([N-]c1ncn(Cc2ccccc2)n1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823383264 606673878 /nfs/dbraw/zinc/67/38/78/606673878.db2.gz OHMNUALTGSTBLW-UHFFFAOYSA-N -2 3 382.334 2.037 20 0 GEADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000821589576 606751261 /nfs/dbraw/zinc/75/12/61/606751261.db2.gz UJUHJFVMFFIZRK-UHFFFAOYSA-N -2 3 384.874 2.448 20 0 GEADHL O=S(=O)([N-]c1ccc2[nH]ccc2c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823588889 606865583 /nfs/dbraw/zinc/86/55/83/606865583.db2.gz DVSJOVDQWYOSMV-UHFFFAOYSA-N -2 3 376.348 2.427 20 0 GEADHL O=S(=O)([N-]c1ccc2[nH]ccc2c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823588889 606865585 /nfs/dbraw/zinc/86/55/85/606865585.db2.gz DVSJOVDQWYOSMV-UHFFFAOYSA-N -2 3 376.348 2.427 20 0 GEADHL O=S(=O)([N-]c1cccc(Cl)c1O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823589437 606867533 /nfs/dbraw/zinc/86/75/33/606867533.db2.gz ZFWJXAWTBYGNGB-UHFFFAOYSA-N -2 3 387.755 2.305 20 0 GEADHL O=S(=O)([N-]c1cccc(Cl)c1O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823589437 606867534 /nfs/dbraw/zinc/86/75/34/606867534.db2.gz ZFWJXAWTBYGNGB-UHFFFAOYSA-N -2 3 387.755 2.305 20 0 GEADHL C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)o1 ZINC000820675399 606886039 /nfs/dbraw/zinc/88/60/39/606886039.db2.gz IQCKPKOXUYQYMS-LDYMZIIASA-N -2 3 395.391 2.340 20 0 GEADHL CCS[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821453425 606894184 /nfs/dbraw/zinc/89/41/84/606894184.db2.gz AEQTYJJLECPPQM-NWDGAFQWSA-N -2 3 389.453 2.097 20 0 GEADHL CC1(C)CCC(CC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CC1 ZINC000824796841 607776414 /nfs/dbraw/zinc/77/64/14/607776414.db2.gz STEYBHMCBNSJHF-UHFFFAOYSA-N -2 3 391.497 2.419 20 0 GEADHL CC1(C)CCC(CC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CC1 ZINC000824796841 607776415 /nfs/dbraw/zinc/77/64/15/607776415.db2.gz STEYBHMCBNSJHF-UHFFFAOYSA-N -2 3 391.497 2.419 20 0 GEADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000826249598 607806453 /nfs/dbraw/zinc/80/64/53/607806453.db2.gz KUWRUTGREHGLGU-UHFFFAOYSA-N -2 3 385.449 2.417 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000826249598 607806454 /nfs/dbraw/zinc/80/64/54/607806454.db2.gz KUWRUTGREHGLGU-UHFFFAOYSA-N -2 3 385.449 2.417 20 0 GEADHL COc1cc(-c2nnn[n-]2)ccc1Oc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000826176699 607833342 /nfs/dbraw/zinc/83/33/42/607833342.db2.gz ZRLUWOGVRNOENQ-UHFFFAOYSA-N -2 3 383.364 2.471 20 0 GEADHL COc1cc(-c2nn[n-]n2)ccc1Oc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000826176699 607833343 /nfs/dbraw/zinc/83/33/43/607833343.db2.gz ZRLUWOGVRNOENQ-UHFFFAOYSA-N -2 3 383.364 2.471 20 0 GEADHL CN(Cc1c([O-])nnn1-c1ccccc1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000825953235 607848210 /nfs/dbraw/zinc/84/82/10/607848210.db2.gz BGKCOPJIHUSBJK-UHFFFAOYSA-N -2 3 382.815 2.443 20 0 GEADHL CN(Cc1c([O-])nnn1-c1ccccc1)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000825953235 607848211 /nfs/dbraw/zinc/84/82/11/607848211.db2.gz BGKCOPJIHUSBJK-UHFFFAOYSA-N -2 3 382.815 2.443 20 0 GEADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000826186681 607880014 /nfs/dbraw/zinc/88/00/14/607880014.db2.gz GYAWFAJSBSHOSA-UHFFFAOYSA-N -2 3 383.792 2.469 20 0 GEADHL CCc1c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cnn1CC(C)C ZINC000825694292 607933446 /nfs/dbraw/zinc/93/34/46/607933446.db2.gz NCCMKXQQAWZSKL-UHFFFAOYSA-N -2 3 375.458 2.082 20 0 GEADHL CCc1c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cnn1CC(C)C ZINC000825694292 607933447 /nfs/dbraw/zinc/93/34/47/607933447.db2.gz NCCMKXQQAWZSKL-UHFFFAOYSA-N -2 3 375.458 2.082 20 0 GEADHL O=C(c1ccc([O-])c(Cl)c1)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826473459 608084165 /nfs/dbraw/zinc/08/41/65/608084165.db2.gz YYERZMLFIRRFRN-MRXNPFEDSA-N -2 3 385.811 2.439 20 0 GEADHL CC(C)n1cccc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000824371436 608184665 /nfs/dbraw/zinc/18/46/65/608184665.db2.gz FZWFMJDKZBGVIA-UHFFFAOYSA-N -2 3 394.844 2.021 20 0 GEADHL CC(C)n1cccc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000824371436 608184666 /nfs/dbraw/zinc/18/46/66/608184666.db2.gz FZWFMJDKZBGVIA-UHFFFAOYSA-N -2 3 394.844 2.021 20 0 GEADHL CCCC(=CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)CCC ZINC000825220130 608193984 /nfs/dbraw/zinc/19/39/84/608193984.db2.gz PLNKLRPLHVNVMJ-UHFFFAOYSA-N -2 3 377.470 2.339 20 0 GEADHL CCCC(=CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)CCC ZINC000825220130 608193986 /nfs/dbraw/zinc/19/39/86/608193986.db2.gz PLNKLRPLHVNVMJ-UHFFFAOYSA-N -2 3 377.470 2.339 20 0 GEADHL O=C(CCCC(F)(F)F)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826405726 608198061 /nfs/dbraw/zinc/19/80/61/608198061.db2.gz RFODYCUMNHDLQJ-UHFFFAOYSA-N -2 3 397.766 2.058 20 0 GEADHL O=C(CCCC(F)(F)F)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826405726 608198062 /nfs/dbraw/zinc/19/80/62/608198062.db2.gz RFODYCUMNHDLQJ-UHFFFAOYSA-N -2 3 397.766 2.058 20 0 GEADHL O=S(=O)([N-]c1ccc(F)cc1OCC(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000826492914 608296261 /nfs/dbraw/zinc/29/62/61/608296261.db2.gz KVOKKYGQQCMLSE-UHFFFAOYSA-N -2 3 399.354 2.451 20 0 GEADHL O=S(=O)([N-]c1ccc(F)cc1OCC(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000826492914 608296263 /nfs/dbraw/zinc/29/62/63/608296263.db2.gz KVOKKYGQQCMLSE-UHFFFAOYSA-N -2 3 399.354 2.451 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)OCc2n[nH]c(=O)[n-]2)cc1 ZINC000826254886 608451132 /nfs/dbraw/zinc/45/11/32/608451132.db2.gz DMOGQASZMIZBIM-UHFFFAOYSA-N -2 3 393.363 2.148 20 0 GEADHL Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)c1sccc1-c1nnn[n-]1 ZINC000826298474 608456772 /nfs/dbraw/zinc/45/67/72/608456772.db2.gz UQIUZRJTJYQCJO-UHFFFAOYSA-N -2 3 383.842 2.009 20 0 GEADHL Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)c1sccc1-c1nn[n-]n1 ZINC000826298474 608456774 /nfs/dbraw/zinc/45/67/74/608456774.db2.gz UQIUZRJTJYQCJO-UHFFFAOYSA-N -2 3 383.842 2.009 20 0 GEADHL Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824857827 608493737 /nfs/dbraw/zinc/49/37/37/608493737.db2.gz GEWNZUMJUVAVSU-QGZVFWFLSA-N -2 3 389.419 2.461 20 0 GEADHL Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824857827 608493738 /nfs/dbraw/zinc/49/37/38/608493738.db2.gz GEWNZUMJUVAVSU-QGZVFWFLSA-N -2 3 389.419 2.461 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C1C[C@H](C)C[C@@H](C)C1 ZINC000826279428 609147798 /nfs/dbraw/zinc/14/77/98/609147798.db2.gz POEKHYCEMCLGSG-GHMZBOCLSA-N -2 3 377.470 2.052 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C1C[C@H](C)C[C@@H](C)C1 ZINC000826279428 609147800 /nfs/dbraw/zinc/14/78/00/609147800.db2.gz POEKHYCEMCLGSG-GHMZBOCLSA-N -2 3 377.470 2.052 20 0 GEADHL CC1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CCCCCC1 ZINC000824783142 609352469 /nfs/dbraw/zinc/35/24/69/609352469.db2.gz DJPHHZXHJZUMLC-UHFFFAOYSA-N -2 3 377.470 2.173 20 0 GEADHL CC1(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCCCCC1 ZINC000824783142 609352471 /nfs/dbraw/zinc/35/24/71/609352471.db2.gz DJPHHZXHJZUMLC-UHFFFAOYSA-N -2 3 377.470 2.173 20 0 GEADHL COc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c1O ZINC000826217474 609423592 /nfs/dbraw/zinc/42/35/92/609423592.db2.gz NTMPWKSLHZVRJC-UHFFFAOYSA-N -2 3 381.801 2.035 20 0 GEADHL COc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c1O ZINC000826217474 609423594 /nfs/dbraw/zinc/42/35/94/609423594.db2.gz NTMPWKSLHZVRJC-UHFFFAOYSA-N -2 3 381.801 2.035 20 0 GEADHL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826461764 609526818 /nfs/dbraw/zinc/52/68/18/609526818.db2.gz GKPMKDRSOXVTRS-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826461764 609526821 /nfs/dbraw/zinc/52/68/21/609526821.db2.gz GKPMKDRSOXVTRS-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL CC(C)(C)n1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cn1 ZINC000824152378 609527465 /nfs/dbraw/zinc/52/74/65/609527465.db2.gz DBUHQGZRQKFZMU-UHFFFAOYSA-N -2 3 381.849 2.272 20 0 GEADHL CC(C)(C)n1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cn1 ZINC000824152378 609527468 /nfs/dbraw/zinc/52/74/68/609527468.db2.gz DBUHQGZRQKFZMU-UHFFFAOYSA-N -2 3 381.849 2.272 20 0 GEADHL C[S@@](=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826224536 609528350 /nfs/dbraw/zinc/52/83/50/609528350.db2.gz HGBXAUDYBIGNPX-XMMPIXPASA-N -2 3 397.869 2.058 20 0 GEADHL C[S@@](=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826224536 609528352 /nfs/dbraw/zinc/52/83/52/609528352.db2.gz HGBXAUDYBIGNPX-XMMPIXPASA-N -2 3 397.869 2.058 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@H](C)C(C)(F)F)c(F)c1 ZINC000451069658 650083557 /nfs/dbraw/zinc/08/35/57/650083557.db2.gz MDAVBAFQVBGNJJ-VIFPVBQESA-N -2 3 388.433 2.299 20 0 GEADHL CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)ccc2[N-]S(C)(=O)=O)c1 ZINC000460833866 650446633 /nfs/dbraw/zinc/44/66/33/650446633.db2.gz RNTVWUUCWWMVAS-UHFFFAOYSA-N -2 3 382.463 2.370 20 0 GEADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1C(=O)[O-] ZINC000532648161 650751692 /nfs/dbraw/zinc/75/16/92/650751692.db2.gz RILMJPWLJUIKAH-UHFFFAOYSA-N -2 3 387.410 2.037 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc([N-]S(=O)(=O)c2ccccc2F)cc1OC ZINC000055668800 642778837 /nfs/dbraw/zinc/77/88/37/642778837.db2.gz AXVUOVNCWCQYOP-UHFFFAOYSA-N -2 3 388.442 2.397 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-][N-]C(=O)NC2CCCC2)c(Br)c1 ZINC000065833012 642889724 /nfs/dbraw/zinc/88/97/24/642889724.db2.gz SDGGSPFCPCOGBZ-UHFFFAOYSA-N -2 3 376.276 2.193 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(C)(=O)=O)c(C)c1F ZINC000543022892 650897760 /nfs/dbraw/zinc/89/77/60/650897760.db2.gz MENXJYPGCUBARE-UHFFFAOYSA-N -2 3 388.442 2.315 20 0 GEADHL O=C([N-][N-]S(=O)(=O)c1ccccc1Br)NCc1ccccc1 ZINC000189122530 645133739 /nfs/dbraw/zinc/13/37/39/645133739.db2.gz MKARTNMQEGUKGT-UHFFFAOYSA-N -2 3 384.255 2.142 20 0 GEADHL Cc1nc(CC[N-]S(=O)(=O)c2cc(F)ccc2Cl)sc1C(=O)[O-] ZINC000547877899 651049876 /nfs/dbraw/zinc/04/98/76/651049876.db2.gz BRIKPUVVGMLZDY-UHFFFAOYSA-N -2 3 378.834 2.463 20 0 GEADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)Oc1ccc(F)cc1 ZINC000547900007 651053185 /nfs/dbraw/zinc/05/31/85/651053185.db2.gz LKHCAMSNWCKUBW-LBPRGKRZSA-N -2 3 391.779 2.429 20 0 GEADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccsc1 ZINC000547935662 651056751 /nfs/dbraw/zinc/05/67/51/651056751.db2.gz MBLPROFGPRYOFR-LBPRGKRZSA-N -2 3 389.838 2.292 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cccc(C)n2)cc1F ZINC000270618072 646125854 /nfs/dbraw/zinc/12/58/54/646125854.db2.gz HHCVIEOYCWKSOF-UHFFFAOYSA-N -2 3 387.458 2.482 20 0 GEADHL COC(=O)c1sc(S(=O)(=O)[N-][C@H](C)CCCC(=O)[O-])c(C)c1Cl ZINC000278700533 646540826 /nfs/dbraw/zinc/54/08/26/646540826.db2.gz NHOOITYCXHZQIR-SSDOTTSWSA-N -2 3 383.875 2.418 20 0 GEADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-] ZINC000424392014 648626743 /nfs/dbraw/zinc/62/67/43/648626743.db2.gz OEZUQRBEXWLVEH-UHFFFAOYSA-N -2 3 398.250 2.376 20 0 GEADHL Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(N)=O)cc1F ZINC000425958404 648701979 /nfs/dbraw/zinc/70/19/79/648701979.db2.gz NBPJIROIXDWYKN-UHFFFAOYSA-N -2 3 386.788 2.385 20 0 GEADHL O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cc(F)cc(Br)c1[O-] ZINC000436850427 648796419 /nfs/dbraw/zinc/79/64/19/648796419.db2.gz HYOKPRFHTYSQEW-UHFFFAOYSA-N -2 3 383.099 2.361 20 0 GEADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)Oc1ccc(F)cc1 ZINC000548213099 651068155 /nfs/dbraw/zinc/06/81/55/651068155.db2.gz ZRUSIBWWHCOHRB-ZDUSSCGKSA-N -2 3 391.779 2.429 20 0 GEADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C ZINC000548552353 651079976 /nfs/dbraw/zinc/07/99/76/651079976.db2.gz QJYYJLQBXFPBAY-NSHDSACASA-N -2 3 375.418 2.028 20 0 GEADHL C[C@@H]([C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-])C1CC1 ZINC000548866416 651088042 /nfs/dbraw/zinc/08/80/42/651088042.db2.gz CPXPZSGPXCYNSE-JMCQJSRRSA-N -2 3 380.235 2.366 20 0 GEADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)C(F)(F)F ZINC000560416567 651308864 /nfs/dbraw/zinc/30/88/64/651308864.db2.gz GWFDLIJEZJTVAB-SSDOTTSWSA-N -2 3 380.266 2.032 20 0 GEADHL CC(C)c1nnc(C[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)s1 ZINC000563071494 651507214 /nfs/dbraw/zinc/50/72/14/651507214.db2.gz CEFLHIUQGWNOMZ-UHFFFAOYSA-N -2 3 375.859 2.492 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccsc2)c(F)c1 ZINC000567601030 651628836 /nfs/dbraw/zinc/62/88/36/651628836.db2.gz APSSXSRVSKZBCM-LBPRGKRZSA-N -2 3 387.410 2.168 20 0 GEADHL O=C([O-])[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000567603369 651629010 /nfs/dbraw/zinc/62/90/10/651629010.db2.gz MDYKOXAEUCYGMX-LURJTMIESA-N -2 3 381.250 2.111 20 0 GEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000570713732 651785956 /nfs/dbraw/zinc/78/59/56/651785956.db2.gz WMCRAARNCCKJNH-PWSUYJOCSA-N -2 3 388.854 2.303 20 0 GEADHL Cc1ccc([C@@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000571043429 651808113 /nfs/dbraw/zinc/80/81/13/651808113.db2.gz COUKSIWNDUMKPI-WFASDCNBSA-N -2 3 382.463 2.348 20 0 GEADHL O=C([O-])c1cn(CCCC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)nn1 ZINC000573812647 651980719 /nfs/dbraw/zinc/98/07/19/651980719.db2.gz ZYKROYHOYQEGLF-UHFFFAOYSA-N -2 3 393.252 2.042 20 0 GEADHL CC(C)[C@@H](CNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000655568341 651990722 /nfs/dbraw/zinc/99/07/22/651990722.db2.gz HYWZHHDIQJZYSQ-LLVKDONJSA-N -2 3 381.226 2.377 20 0 GEADHL C[C@@H]([C@H]([N-]S(=O)(=O)c1cccc(Br)c1F)C(=O)[O-])C1CC1 ZINC000574055736 651998220 /nfs/dbraw/zinc/99/82/20/651998220.db2.gz KEOPWKMIVPQQAC-KRTXAFLBSA-N -2 3 380.235 2.366 20 0 GEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(C)cc2Br)c[n-]1 ZINC000618906796 652037802 /nfs/dbraw/zinc/03/78/02/652037802.db2.gz XDBIQKFHHWXXDO-UHFFFAOYSA-N -2 3 388.243 2.458 20 0 GEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000575151055 652065358 /nfs/dbraw/zinc/06/53/58/652065358.db2.gz GOBHVUIKCGUGTF-CHWSQXEVSA-N -2 3 381.431 2.126 20 0 GEADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000577993782 652234215 /nfs/dbraw/zinc/23/42/15/652234215.db2.gz QTZUDFWQJPZNQK-UHFFFAOYSA-N -2 3 396.824 2.327 20 0 GEADHL C[C@H]1CCCc2nc(S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F)cn21 ZINC000578050098 652239258 /nfs/dbraw/zinc/23/92/58/652239258.db2.gz ZZCDXTWQVWPHHS-UWVGGRQHSA-N -2 3 383.392 2.102 20 0 GEADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000580322567 652375868 /nfs/dbraw/zinc/37/58/68/652375868.db2.gz VFNYSOVXVJSYBB-MFKMUULPSA-N -2 3 388.854 2.303 20 0 GEADHL C[C@@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C[C@H]1C(=O)[O-] ZINC000582062934 652433633 /nfs/dbraw/zinc/43/36/33/652433633.db2.gz HONMOCYSUTYGOO-BXKDBHETSA-N -2 3 393.237 2.473 20 0 GEADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F)C(F)F ZINC000582234255 652441488 /nfs/dbraw/zinc/44/14/88/652441488.db2.gz YPDMBJJNGGICHL-ZCFIWIBFSA-N -2 3 379.278 2.479 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@H](C(=O)[O-])C2CCC2)cc1Cl ZINC000663254311 652486610 /nfs/dbraw/zinc/48/66/10/652486610.db2.gz HZCKELZLWNOBOD-JTQLQIEISA-N -2 3 392.836 2.217 20 0 GEADHL C[C@@H]([N-]S(=O)(=O)c1ncccc1C(F)(F)F)c1nc(C(=O)[O-])cs1 ZINC000629307901 652487846 /nfs/dbraw/zinc/48/78/46/652487846.db2.gz AYQHTSTYBOLERC-ZCFIWIBFSA-N -2 3 381.357 2.295 20 0 GEADHL O=C([O-])[C@@]1(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCCOC1 ZINC000630432928 652508519 /nfs/dbraw/zinc/50/85/19/652508519.db2.gz PUDYSCACLOPTOU-CYBMUJFWSA-N -2 3 385.335 2.004 20 0 GEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000584409142 652520216 /nfs/dbraw/zinc/52/02/16/652520216.db2.gz MATYLHQLGABBHL-YPMHNXCESA-N -2 3 382.463 2.288 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)C2CC2)cc1Cl ZINC000669838878 652720996 /nfs/dbraw/zinc/72/09/96/652720996.db2.gz YVOALFUTLXGQBJ-UOWDBTKRSA-N -2 3 392.836 2.215 20 0 GEADHL CC1(C)CCCN(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)C1 ZINC000766349726 652876878 /nfs/dbraw/zinc/87/68/78/652876878.db2.gz DZHJNJJMEAVYCS-UHFFFAOYSA-N -2 3 376.425 2.063 20 0 GEADHL C[C@@H](CC(C)(C)C)C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000774208715 653229359 /nfs/dbraw/zinc/22/93/59/653229359.db2.gz CDIQFSQHNFUMPL-JTQLQIEISA-N -2 3 394.490 2.074 20 0 GEADHL Cc1nc2nc[n-]n2c(=O)c1CCOC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000810668544 653352320 /nfs/dbraw/zinc/35/23/20/653352320.db2.gz SKJMUDLRVLSAST-UHFFFAOYSA-N -2 3 377.813 2.322 20 0 GEADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](C)CCC[C@H](C)C(=O)[O-])c1 ZINC000776575023 653360847 /nfs/dbraw/zinc/36/08/47/653360847.db2.gz XZSGJTFETOKSLF-QWRGUYRKSA-N -2 3 375.418 2.170 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)[C@H](O)c1ccccc1 ZINC000776599852 653363221 /nfs/dbraw/zinc/36/32/21/653363221.db2.gz RBCQRFIGFXQECP-CHWSQXEVSA-N -2 3 390.244 2.459 20 0 GEADHL O=C([O-])C[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000776604150 653364267 /nfs/dbraw/zinc/36/42/67/653364267.db2.gz QDCTTWKFLMWJGW-ZDUSSCGKSA-N -2 3 399.266 2.208 20 0 GEADHL CC[C@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)CC(=O)[O-] ZINC000837287132 653418510 /nfs/dbraw/zinc/41/85/10/653418510.db2.gz AQWSAKSBESFQTN-ZETCQYMHSA-N -2 3 385.667 2.277 20 0 GEADHL COC(=O)c1sc(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])c(C)c1Cl ZINC000818431756 653731528 /nfs/dbraw/zinc/73/15/28/653731528.db2.gz XZYZGKKEPVORTP-UHFFFAOYSA-N -2 3 383.875 2.276 20 0 GEADHL O=C([O-])C[C@@]1([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CCCOC1 ZINC000819107565 653743475 /nfs/dbraw/zinc/74/34/75/653743475.db2.gz KTGPUZADIPENLR-INIZCTEOSA-N -2 3 382.463 2.112 20 0 GEADHL CC(C)(C)OC(=O)C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000787932746 653746446 /nfs/dbraw/zinc/74/64/46/653746446.db2.gz FLRHZQWTDMCVOU-SNVBAGLBSA-N -2 3 398.264 2.457 20 0 GEADHL CC[C@](C)(C[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C)C(=O)[O-] ZINC000788441152 653756371 /nfs/dbraw/zinc/75/63/71/653756371.db2.gz ISZIRPSDBNKYPC-CYBMUJFWSA-N -2 3 383.875 2.276 20 0 GEADHL CC[C@@H](C[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C)CC(=O)[O-] ZINC000788440066 653756413 /nfs/dbraw/zinc/75/64/13/653756413.db2.gz DZZMEHAPDSUHCO-MRVPVSSYSA-N -2 3 383.875 2.276 20 0 GEADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)CC1CC1 ZINC000844821221 653820556 /nfs/dbraw/zinc/82/05/56/653820556.db2.gz MKZHKFHPQHVECN-MRVPVSSYSA-N -2 3 397.678 2.277 20 0 GEADHL COC1(C[C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)C(=O)[O-])CCC1 ZINC000844826480 653821539 /nfs/dbraw/zinc/82/15/39/653821539.db2.gz SEUQLAATXBHNLA-SNVBAGLBSA-N -2 3 383.253 2.079 20 0 GEADHL CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc3sccc3c([O-])c2)c1 ZINC000794123724 653897705 /nfs/dbraw/zinc/89/77/05/653897705.db2.gz BNEOLXRUGDVCLD-UHFFFAOYSA-N -2 3 378.431 2.473 20 0 GEADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](C[C@H](C)CC)C(=O)[O-])c1 ZINC000794762976 653919114 /nfs/dbraw/zinc/91/91/14/653919114.db2.gz XPOUEIQZMDZNAZ-ZWNOBZJWSA-N -2 3 375.418 2.170 20 0 GEADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C(=O)[O-])C(C1CCC1)C1CCC1 ZINC000794776209 653920466 /nfs/dbraw/zinc/92/04/66/653920466.db2.gz UWERVHPDTCYEPU-ZDUSSCGKSA-N -2 3 389.905 2.330 20 0 GEADHL CCc1ccnc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)c1 ZINC000797816040 654042823 /nfs/dbraw/zinc/04/28/23/654042823.db2.gz CXHDUMNDDIRMCK-UHFFFAOYSA-N -2 3 389.227 2.176 20 0 GEADHL O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1CC[C@@H]1CC1(Cl)Cl ZINC000852737402 654258170 /nfs/dbraw/zinc/25/81/70/654258170.db2.gz SHNOHZHUHJJVST-HLTSFMKQSA-N -2 3 377.190 2.166 20 0 GEADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]C[C@H]2CCCS2)s1 ZINC000871918408 654277039 /nfs/dbraw/zinc/27/70/39/654277039.db2.gz QDNVWLQPIRNIQM-ZCFIWIBFSA-N -2 3 386.314 2.383 20 0 GEADHL C[C@@H]([N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br)[C@@H]1CCCOC1 ZINC000871937957 654285176 /nfs/dbraw/zinc/28/51/76/654285176.db2.gz ZYFVYPDFAFBDGH-HTQZYQBOSA-N -2 3 398.300 2.302 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](C[C@@H]2CCCO2)C(F)(F)F)cc1F ZINC000871979989 654299301 /nfs/dbraw/zinc/29/93/01/654299301.db2.gz ZZBVHQKBASGIPZ-QPUJVOFHSA-N -2 3 385.335 2.302 20 0 GEADHL CC[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000835237023 654373572 /nfs/dbraw/zinc/37/35/72/654373572.db2.gz RQLHFKAFLDGJGX-NSHDSACASA-N -2 3 394.490 2.074 20 0 GEADHL CSC[C@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000906005807 654400411 /nfs/dbraw/zinc/40/04/11/654400411.db2.gz VPIDNGFVHGSZTP-ZETCQYMHSA-N -2 3 388.692 2.197 20 0 GEADHL O=C([O-])[C@]12C[C@H]1CCCN2C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000923146113 654428583 /nfs/dbraw/zinc/42/85/83/654428583.db2.gz BWULOWPYYDJHKW-XLFHBGCDSA-N -2 3 391.221 2.370 20 0 GEADHL 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0 GEADHL CS(=O)(=O)[N-]c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000540664742 532741909 /nfs/dbraw/zinc/74/19/09/532741909.db2.gz QCYMMJAPZWIHBT-AWEZNQCLSA-N -2 3 382.825 2.267 20 0 GEADHL COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000581357147 532754845 /nfs/dbraw/zinc/75/48/45/532754845.db2.gz DXVCZWYIZBNSLC-NWDGAFQWSA-N -2 3 381.431 2.126 20 0 GEADHL CCCOc1ccc(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1OC ZINC000581546318 532757140 /nfs/dbraw/zinc/75/71/40/532757140.db2.gz HSWPPERPZUEWON-UHFFFAOYSA-N -2 3 386.451 2.117 20 0 GEADHL CC(C)C(C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(C)C ZINC000447764652 532757170 /nfs/dbraw/zinc/75/71/70/532757170.db2.gz JPRDFIJJMAGSIT-UHFFFAOYSA-N -2 3 380.507 2.404 20 0 GEADHL CCCc1csc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)n1 ZINC000504523735 532748736 /nfs/dbraw/zinc/74/87/36/532748736.db2.gz HYLWEVQNRNBQOO-UHFFFAOYSA-N -2 3 393.487 2.407 20 0 GEADHL Cc1ncc(C[N-]S(=O)(=O)c2cc(Br)sc2Cl)c(=O)[n-]1 ZINC000541309945 532751441 /nfs/dbraw/zinc/75/14/41/532751441.db2.gz RWOJGSJEUPIROW-UHFFFAOYSA-N -2 3 398.691 2.447 20 0 GEADHL CC(C)(C)OCC[C@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)C(=O)[O-] ZINC000581010197 532753113 /nfs/dbraw/zinc/75/31/13/532753113.db2.gz ZYPYTKSNQMZKRW-JTQLQIEISA-N -2 3 384.376 2.037 20 0 GEADHL Cc1ncc(CNC(=O)N=c2nc(-c3ccccc3Cl)[n-]s2)c(=O)[n-]1 ZINC000542728486 532777544 /nfs/dbraw/zinc/77/75/44/532777544.db2.gz MMMBRFPGMVKXPD-UHFFFAOYSA-N -2 3 376.829 2.406 20 0 GEADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H](Cc2ccco2)C(=O)[O-])s1 ZINC000547612668 532787776 /nfs/dbraw/zinc/78/77/76/532787776.db2.gz HWHVUUPFCMDQKO-SNVBAGLBSA-N -2 3 394.268 2.386 20 0 GEADHL NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Br)c1 ZINC000547909031 532788047 /nfs/dbraw/zinc/78/80/47/532788047.db2.gz BKLMQKCAFRFBFD-UHFFFAOYSA-N -2 3 399.222 2.047 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)ccc1[O-] ZINC000327112207 532791342 /nfs/dbraw/zinc/79/13/42/532791342.db2.gz GSQPWBRKVPJCFW-UHFFFAOYSA-N -2 3 376.312 2.393 20 0 GEADHL Cn1cc([C@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C(=O)[O-])cn1 ZINC000327141292 532791711 /nfs/dbraw/zinc/79/17/11/532791711.db2.gz NNDOZVAQGPOFBU-NSHDSACASA-N -2 3 397.762 2.197 20 0 GEADHL COCCCO[N-]C(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000288013641 532814981 /nfs/dbraw/zinc/81/49/81/532814981.db2.gz GZDRJMCLDYCKRN-UHFFFAOYSA-N -2 3 384.479 2.176 20 0 GEADHL Nc1c([N-]S(=O)(=O)C[C@H]2CCCCO2)cc(Br)cc1C(=O)[O-] ZINC000330441240 532818441 /nfs/dbraw/zinc/81/84/41/532818441.db2.gz DPKRPMDMHSUIOD-SECBINFHSA-N -2 3 393.259 2.040 20 0 GEADHL COC(C)(C)CS(=O)(=O)[N-]c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000414373121 532822993 /nfs/dbraw/zinc/82/29/93/532822993.db2.gz LKZSQUKJEJCFJK-UHFFFAOYSA-N -2 3 396.506 2.069 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2COC3(CCCC3)O2)cc(F)c1Cl ZINC000273713247 532832289 /nfs/dbraw/zinc/83/22/89/532832289.db2.gz PMFFYXXWMWDTHQ-SECBINFHSA-N -2 3 393.820 2.141 20 0 GEADHL C[C@H]1C[C@@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)CCO1 ZINC000273735355 532832829 /nfs/dbraw/zinc/83/28/29/532832829.db2.gz SILBEROXIPEMTK-BQBZGAKWSA-N -2 3 384.273 2.055 20 0 GEADHL O=C([O-])CSCC[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000275035917 532861915 /nfs/dbraw/zinc/86/19/15/532861915.db2.gz QLQLYHKKKFRPLG-UHFFFAOYSA-N -2 3 388.692 2.199 20 0 GEADHL C[C@H](CC[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2)CC(=O)[O-] ZINC000275087231 532863626 /nfs/dbraw/zinc/86/36/26/532863626.db2.gz ZWSBQFGZXAUWAL-SECBINFHSA-N -2 3 392.271 2.163 20 0 GEADHL COCC[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000275083870 532863644 /nfs/dbraw/zinc/86/36/44/532863644.db2.gz NTGSYJVLWXIKKP-VIFPVBQESA-N -2 3 375.752 2.127 20 0 GEADHL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000275130401 532865957 /nfs/dbraw/zinc/86/59/57/532865957.db2.gz IITCZMTVIMBKJS-VXGBXAGGSA-N -2 3 391.873 2.287 20 0 GEADHL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000275186945 532868045 /nfs/dbraw/zinc/86/80/45/532868045.db2.gz FBFSZGRVFSVQTJ-XYPYZODXSA-N -2 3 389.857 2.296 20 0 GEADHL CCOC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000290868228 532891032 /nfs/dbraw/zinc/89/10/32/532891032.db2.gz ATJLSIPLAQTRTQ-SECBINFHSA-N -2 3 375.752 2.127 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCN(C3CCCC3)C2)c(Cl)cc1F ZINC000364117560 532904045 /nfs/dbraw/zinc/90/40/45/532904045.db2.gz ABUFPOGJXLQGJM-SNVBAGLBSA-N -2 3 390.864 2.473 20 0 GEADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)c1 ZINC000057115980 222028206 /nfs/dbraw/zinc/02/82/06/222028206.db2.gz LGXQNLYGUFMDFB-UHFFFAOYSA-N -2 3 376.406 2.446 20 0 GEADHL CCN1CCc2ccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3F)cc21 ZINC000736568117 598844659 /nfs/dbraw/zinc/84/46/59/598844659.db2.gz IXBJFUOKBRMFTG-UHFFFAOYSA-N -2 3 388.428 2.189 20 0 GEADHL CCN1CCc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3F)cc21 ZINC000736568117 598844660 /nfs/dbraw/zinc/84/46/60/598844660.db2.gz IXBJFUOKBRMFTG-UHFFFAOYSA-N -2 3 388.428 2.189 20 0 GEADHL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000737386083 598867479 /nfs/dbraw/zinc/86/74/79/598867479.db2.gz VSTOIKPJKXTVCD-UHFFFAOYSA-N -3 3 393.812 2.328 20 0 GEADHL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000737386083 598867480 /nfs/dbraw/zinc/86/74/80/598867480.db2.gz VSTOIKPJKXTVCD-UHFFFAOYSA-N -3 3 393.812 2.328 20 0 GEADHL Cn1nc(CC(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000737620848 598909489 /nfs/dbraw/zinc/90/94/89/598909489.db2.gz DJTDHVCWOFLUNT-UHFFFAOYSA-N -2 3 393.448 2.129 20 0 GEADHL Cn1nc(CC(C)(C)C)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000737620848 598909490 /nfs/dbraw/zinc/90/94/90/598909490.db2.gz DJTDHVCWOFLUNT-UHFFFAOYSA-N -2 3 393.448 2.129 20 0 GEADHL CC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000736352840 598924618 /nfs/dbraw/zinc/92/46/18/598924618.db2.gz ZZRBJIMQGPYWMP-AWEZNQCLSA-N -2 3 391.497 2.419 20 0 GEADHL CC[C@@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000736352840 598924621 /nfs/dbraw/zinc/92/46/21/598924621.db2.gz ZZRBJIMQGPYWMP-AWEZNQCLSA-N -2 3 391.497 2.419 20 0 GEADHL CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000736603455 598946580 /nfs/dbraw/zinc/94/65/80/598946580.db2.gz WOZXJYHJVFKQLC-UHFFFAOYSA-N -2 3 387.421 2.153 20 0 GEADHL CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000736603455 598946581 /nfs/dbraw/zinc/94/65/81/598946581.db2.gz WOZXJYHJVFKQLC-UHFFFAOYSA-N -2 3 387.421 2.153 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccnn1Cc1ccccc1 ZINC000737301112 598968495 /nfs/dbraw/zinc/96/84/95/598968495.db2.gz HTFBYYBKBWTFQP-UHFFFAOYSA-N -2 3 395.448 2.221 20 0 GEADHL CC(=CC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C)c1ccccc1 ZINC000735450275 598974178 /nfs/dbraw/zinc/97/41/78/598974178.db2.gz YDTUQGWPCZLDOT-JLHYYAGUSA-N -2 3 383.433 2.084 20 0 GEADHL CC(=CC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C)c1ccccc1 ZINC000735450275 598974180 /nfs/dbraw/zinc/97/41/80/598974180.db2.gz YDTUQGWPCZLDOT-JLHYYAGUSA-N -2 3 383.433 2.084 20 0 GEADHL Cc1cccc2cc(C(=O)[N-]S(=O)(=O)c3cc(-c4nnn[n-]4)ccc3C)oc21 ZINC000737300444 598976842 /nfs/dbraw/zinc/97/68/42/598976842.db2.gz XRMXITUSRGCURY-UHFFFAOYSA-N -2 3 397.416 2.348 20 0 GEADHL Cc1cccc2cc(C(=O)[N-]S(=O)(=O)c3cc(-c4nn[n-]n4)ccc3C)oc21 ZINC000737300444 598976843 /nfs/dbraw/zinc/97/68/43/598976843.db2.gz XRMXITUSRGCURY-UHFFFAOYSA-N -2 3 397.416 2.348 20 0 GEADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1c(C)nn(C(C)C)c1C ZINC000737062117 599018525 /nfs/dbraw/zinc/01/85/25/599018525.db2.gz GMSCPFMILQFTOQ-UHFFFAOYSA-N -2 3 391.457 2.070 20 0 GEADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-]C1(C(=O)[O-])CCCC1 ZINC000737840453 599768955 /nfs/dbraw/zinc/76/89/55/599768955.db2.gz ULYBQGQEIHMQFX-UHFFFAOYSA-N -2 3 396.234 2.273 20 0 GEADHL O=S(=O)([N-]c1ccc(CC(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738345999 599099213 /nfs/dbraw/zinc/09/92/13/599099213.db2.gz VIYZJBPSASKSIN-UHFFFAOYSA-N -2 3 384.343 2.167 20 0 GEADHL O=S(=O)([N-]c1ccc(CC(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738345999 599099216 /nfs/dbraw/zinc/09/92/16/599099216.db2.gz VIYZJBPSASKSIN-UHFFFAOYSA-N -2 3 384.343 2.167 20 0 GEADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cn1)c1csc(-c2ccccc2)n1 ZINC000823582838 599233975 /nfs/dbraw/zinc/23/39/75/599233975.db2.gz BTYHBQNXSRJKIX-UHFFFAOYSA-N -2 3 385.434 2.186 20 0 GEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1csc(-c2ccccc2)n1 ZINC000823582838 599233977 /nfs/dbraw/zinc/23/39/77/599233977.db2.gz BTYHBQNXSRJKIX-UHFFFAOYSA-N -2 3 385.434 2.186 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NCCC(=O)[O-] ZINC000509191711 597115512 /nfs/dbraw/zinc/11/55/12/597115512.db2.gz JTVGSUMNNOMZSY-UHFFFAOYSA-N -2 3 380.397 2.139 20 0 GEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1F)c1c(Cl)nc2sccn21 ZINC000823583374 607328474 /nfs/dbraw/zinc/32/84/74/607328474.db2.gz PWZGYMDMKVBIQZ-UHFFFAOYSA-N -2 3 399.820 2.169 20 0 GEADHL COc1ccc(-c2nn[n-]n2)cc1NC(=O)CC1(C(=O)[O-])Cc2ccccc2C1 ZINC000737059924 598369793 /nfs/dbraw/zinc/36/97/93/598369793.db2.gz YNXZDOKNRFNWMB-UHFFFAOYSA-N -2 3 393.403 2.074 20 0 GEADHL Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737443930 598400259 /nfs/dbraw/zinc/40/02/59/598400259.db2.gz YOBXRWGUPRMEOR-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL Cc1cn(-c2ccccc2)nc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737443930 598400261 /nfs/dbraw/zinc/40/02/61/598400261.db2.gz YOBXRWGUPRMEOR-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)cc1C ZINC000737311764 598415521 /nfs/dbraw/zinc/41/55/21/598415521.db2.gz DNPJTRNLMGPKNP-UHFFFAOYSA-N -2 3 391.840 2.256 20 0 GEADHL Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1C ZINC000737311764 598415522 /nfs/dbraw/zinc/41/55/22/598415522.db2.gz DNPJTRNLMGPKNP-UHFFFAOYSA-N -2 3 391.840 2.256 20 0 GEADHL O=C(C=Cc1ccsc1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737805568 598417268 /nfs/dbraw/zinc/41/72/68/598417268.db2.gz ITRWBORPAWQLRI-RJRFIUFISA-N -2 3 395.853 2.100 20 0 GEADHL O=C(C=Cc1ccsc1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737805568 598417270 /nfs/dbraw/zinc/41/72/70/598417270.db2.gz ITRWBORPAWQLRI-RJRFIUFISA-N -2 3 395.853 2.100 20 0 GEADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1c(Cl)nc2sccn21 ZINC000391680841 598505101 /nfs/dbraw/zinc/50/51/01/598505101.db2.gz SLODDXIMKXDSIH-UHFFFAOYSA-N -2 3 381.830 2.030 20 0 GEADHL CC(C)S(=O)(=O)[N-]C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735913155 598726677 /nfs/dbraw/zinc/72/66/77/598726677.db2.gz HNTAQRGXHCNLGY-UHFFFAOYSA-N -2 3 387.421 2.127 20 0 GEADHL CC(C)S(=O)(=O)[N-]C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735913155 598726678 /nfs/dbraw/zinc/72/66/78/598726678.db2.gz HNTAQRGXHCNLGY-UHFFFAOYSA-N -2 3 387.421 2.127 20 0 GEADHL CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000736817735 598814129 /nfs/dbraw/zinc/81/41/29/598814129.db2.gz HWOCWNFZPFIFJH-UHFFFAOYSA-N -2 3 393.382 2.169 20 0 GEADHL O=S(=O)([N-]c1cc(C(F)(F)F)ccc1O)c1ccc(-c2nnn[n-]2)cc1 ZINC000738345882 599314850 /nfs/dbraw/zinc/31/48/50/599314850.db2.gz QIBGOSMWCIPWHO-UHFFFAOYSA-N -2 3 385.327 2.392 20 0 GEADHL O=S(=O)([N-]c1cc(C(F)(F)F)ccc1O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738345882 599314852 /nfs/dbraw/zinc/31/48/52/599314852.db2.gz QIBGOSMWCIPWHO-UHFFFAOYSA-N -2 3 385.327 2.392 20 0 GEADHL C[C@@H](OC(=O)c1c(F)cc([O-])cc1F)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736159773 599366981 /nfs/dbraw/zinc/36/69/81/599366981.db2.gz ONAVIRTWDUXVTK-MRVPVSSYSA-N -2 3 389.318 2.035 20 0 GEADHL C[C@@H](OC(=O)c1c(F)cc([O-])cc1F)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736159773 599366983 /nfs/dbraw/zinc/36/69/83/599366983.db2.gz ONAVIRTWDUXVTK-MRVPVSSYSA-N -2 3 389.318 2.035 20 0 GEADHL CC(C)[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000820015234 599619740 /nfs/dbraw/zinc/61/97/40/599619740.db2.gz BVDLOCNCSKHPEQ-MRXNPFEDSA-N -2 3 385.449 2.111 20 0 GEADHL CC(C)[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820015234 599619741 /nfs/dbraw/zinc/61/97/41/599619741.db2.gz BVDLOCNCSKHPEQ-MRXNPFEDSA-N -2 3 385.449 2.111 20 0 GEADHL CCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821009572 599619800 /nfs/dbraw/zinc/61/98/00/599619800.db2.gz WBKARIWFXWODSK-MRVPVSSYSA-N -2 3 391.375 2.127 20 0 GEADHL CCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821009572 599619801 /nfs/dbraw/zinc/61/98/01/599619801.db2.gz WBKARIWFXWODSK-MRVPVSSYSA-N -2 3 391.375 2.127 20 0 GEADHL CC(C)(C)OC(=O)N(CCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C1CC1 ZINC000736268422 599770894 /nfs/dbraw/zinc/77/08/94/599770894.db2.gz PSUHVYDRFMPFAC-UHFFFAOYSA-N -2 3 388.442 2.046 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCc3nc(-c4ccccc4)ncc3C2)o1 ZINC000740175304 599773743 /nfs/dbraw/zinc/77/37/43/599773743.db2.gz MWQNPKITJHMNCK-CQSZACIVSA-N -2 3 399.428 2.271 20 0 GEADHL CC(C)[C@H]([N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1nc(C2CC2)no1 ZINC000570960175 599775268 /nfs/dbraw/zinc/77/52/68/599775268.db2.gz TXPGKABZBNRSFN-AWEZNQCLSA-N -2 3 379.438 2.462 20 0 GEADHL CCN1CCc2ccc([N-]S(=O)(=O)c3ccc(OCC(=O)[O-])cc3)cc21 ZINC000737123457 599801825 /nfs/dbraw/zinc/80/18/25/599801825.db2.gz UVHKNYVJWNFGPH-UHFFFAOYSA-N -2 3 376.434 2.333 20 0 GEADHL Cc1cc(=O)[n-]c(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)cc2)n1 ZINC000363071328 599841513 /nfs/dbraw/zinc/84/15/13/599841513.db2.gz LHESAYMCMDZKPK-UHFFFAOYSA-N -3 3 391.430 2.306 20 0 GEADHL CNC(=O)CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1 ZINC000591685213 599854429 /nfs/dbraw/zinc/85/44/29/599854429.db2.gz TZWCLSJZPCMCAD-UHFFFAOYSA-N -2 3 392.433 2.009 20 0 GEADHL CNC(=O)CCOc1ccc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])cc1 ZINC000737536097 599854899 /nfs/dbraw/zinc/85/48/99/599854899.db2.gz CTURTRKDNNZRMP-UHFFFAOYSA-N -2 3 392.433 2.009 20 0 GEADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(S(C)(=O)=O)ccc1F ZINC000393109961 599905778 /nfs/dbraw/zinc/90/57/78/599905778.db2.gz VHGUTPMDBDSWIX-UHFFFAOYSA-N -2 3 387.410 2.037 20 0 GEADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2c(F)cccc2-n2cccn2)cc1 ZINC000730204226 600058386 /nfs/dbraw/zinc/05/83/86/600058386.db2.gz MMXYERRNYJXVCQ-UHFFFAOYSA-N -2 3 391.380 2.276 20 0 GEADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@H](C(=O)[O-])c2ccc(C)cc2)c1 ZINC000737692339 600171147 /nfs/dbraw/zinc/17/11/47/600171147.db2.gz ZVWSMLGRILLMEP-AWEZNQCLSA-N -2 3 395.408 2.067 20 0 GEADHL Cc1nc(C)c(CC(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)c(=O)[n-]1 ZINC000738845880 600270789 /nfs/dbraw/zinc/27/07/89/600270789.db2.gz YHRCQZDFONQHCE-UHFFFAOYSA-N -2 3 379.363 2.123 20 0 GEADHL Cc1cc(F)ccc1N1CCC[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000738402536 600323383 /nfs/dbraw/zinc/32/33/83/600323383.db2.gz WVXSPPXPJHIGLM-ZDUSSCGKSA-N -2 3 382.413 2.373 20 0 GEADHL COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1CN(C)C ZINC000737719341 600361898 /nfs/dbraw/zinc/36/18/98/600361898.db2.gz YEBGFFFCJGYDQT-UHFFFAOYSA-N -2 3 398.462 2.095 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)c1C(=O)[O-] ZINC000738746224 600383525 /nfs/dbraw/zinc/38/35/25/600383525.db2.gz VWDPQNICSHMROH-UHFFFAOYSA-N -3 3 379.390 2.348 20 0 GEADHL CCn1nnnc1-c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1 ZINC000466245628 600395962 /nfs/dbraw/zinc/39/59/62/600395962.db2.gz BBIAZSDQVKPNRI-UHFFFAOYSA-N -2 3 387.421 2.167 20 0 GEADHL CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(C(=O)[O-])o2)ccc1F ZINC000736263349 600478006 /nfs/dbraw/zinc/47/80/06/600478006.db2.gz ZPGAZMDCHOOEAB-UHFFFAOYSA-N -2 3 398.412 2.124 20 0 GEADHL O=C([O-])CCCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000739686961 600489722 /nfs/dbraw/zinc/48/97/22/600489722.db2.gz IFNSLCWWZWZHFD-UHFFFAOYSA-N -3 3 379.390 2.429 20 0 GEADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2F)o1 ZINC000548592982 600517009 /nfs/dbraw/zinc/51/70/09/600517009.db2.gz XKQWMKDZOKDECK-UHFFFAOYSA-N -2 3 396.165 2.497 20 0 GEADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2cc(Br)ccc2F)o1 ZINC000582046489 600518062 /nfs/dbraw/zinc/51/80/62/600518062.db2.gz OAANMNKWTIFYLR-UHFFFAOYSA-N -2 3 378.175 2.358 20 0 GEADHL CCOC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)c1 ZINC000609985619 600544972 /nfs/dbraw/zinc/54/49/72/600544972.db2.gz OUNCBJJMXPYSHO-UHFFFAOYSA-N -2 3 393.417 2.300 20 0 GEADHL CC(C)N(CCC(=O)[O-])C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000485351254 600596123 /nfs/dbraw/zinc/59/61/23/600596123.db2.gz MYMYAIGYLJAWCC-UHFFFAOYSA-N -2 3 397.428 2.280 20 0 GEADHL C[S@](=O)Cc1cccc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)c1 ZINC000738178626 600612654 /nfs/dbraw/zinc/61/26/54/600612654.db2.gz DAZITCCSOZLJEP-VWLOTQADSA-N -2 3 397.474 2.219 20 0 GEADHL CC[C@@]([N-]S(=O)(=O)c1ccc(CC(=O)[O-])cc1)(C(=O)OC)c1ccccc1 ZINC000736919560 600650519 /nfs/dbraw/zinc/65/05/19/600650519.db2.gz CGGXCCJIUHMGME-IBGZPJMESA-N -2 3 391.445 2.071 20 0 GEADHL O=C([O-])c1cc(Br)ccc1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000607614400 600693347 /nfs/dbraw/zinc/69/33/47/600693347.db2.gz GVYOSENVASFHIE-SNVBAGLBSA-N -2 3 378.244 2.458 20 0 GEADHL CCc1cc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)on1 ZINC000546961186 600757933 /nfs/dbraw/zinc/75/79/33/600757933.db2.gz CMIVCZLHRNBGEY-UHFFFAOYSA-N -2 3 389.227 2.176 20 0 GEADHL CCc1ccc([C@H](COC)[N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)o1 ZINC000545544876 600762384 /nfs/dbraw/zinc/76/23/84/600762384.db2.gz ZBDUOYPMKXFMNF-AWEZNQCLSA-N -2 3 383.422 2.215 20 0 GEADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-]C(C)(C)CC(=O)[O-] ZINC000737840466 600797821 /nfs/dbraw/zinc/79/78/21/600797821.db2.gz UWFFOLRMQWGASU-UHFFFAOYSA-N -2 3 384.223 2.128 20 0 GEADHL COC(=O)CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000506613340 600891221 /nfs/dbraw/zinc/89/12/21/600891221.db2.gz CHSCCZSBSHGQFR-UHFFFAOYSA-N -2 3 393.417 2.436 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2cccc(CS(C)(=O)=O)c2C)ccc1C(=O)[O-] ZINC000506652594 600894153 /nfs/dbraw/zinc/89/41/53/600894153.db2.gz GURTVYZLSPSQSL-UHFFFAOYSA-N -2 3 397.474 2.347 20 0 GEADHL O=C([O-])c1ccc(-c2nnn(Cc3nc(=O)c4c5c(sc4[n-]3)CCC5)n2)cc1 ZINC000740100104 600989538 /nfs/dbraw/zinc/98/95/38/600989538.db2.gz PTARODAJYZCDNZ-UHFFFAOYSA-N -2 3 394.416 2.286 20 0 GEADHL CC(C)c1noc(CCC[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)n1 ZINC000827175483 600994425 /nfs/dbraw/zinc/99/44/25/600994425.db2.gz SJLVHQBRZXBNCY-UHFFFAOYSA-N -2 3 389.380 2.081 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@@H]2COc3ccccc3C2)c1F ZINC000833294734 600994944 /nfs/dbraw/zinc/99/49/44/600994944.db2.gz VVVPYGRDOATZOM-SNVBAGLBSA-N -2 3 383.372 2.193 20 0 GEADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000776616787 601128935 /nfs/dbraw/zinc/12/89/35/601128935.db2.gz TURCILNZMBKIEZ-BZNIZROVSA-N -2 3 395.408 2.353 20 0 GEADHL Cc1oc(S(=O)(=O)[N-]Cc2ccc(NC(=O)NC(C)C)cc2)cc1C(=O)[O-] ZINC000567350234 601216794 /nfs/dbraw/zinc/21/67/94/601216794.db2.gz ZQEUIODPAADGBR-UHFFFAOYSA-N -2 3 395.437 2.295 20 0 GEADHL Cc1oc(S(=O)(=O)[N-]Cc2ccc(N3CCCCC3=O)cc2)cc1C(=O)[O-] ZINC000833027811 601218725 /nfs/dbraw/zinc/21/87/25/601218725.db2.gz XPZBITCENAKWOG-UHFFFAOYSA-N -2 3 392.433 2.282 20 0 GEADHL Cc1oc(S(=O)(=O)[N-]CC(=O)Nc2ccc(C)cc2Cl)cc1C(=O)[O-] ZINC000832943469 601219331 /nfs/dbraw/zinc/21/93/31/601219331.db2.gz AENBFGRTCVGLJI-UHFFFAOYSA-N -2 3 386.813 2.165 20 0 GEADHL CCCCNC(=O)C1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)CCCCC1 ZINC000829394921 601219527 /nfs/dbraw/zinc/21/95/27/601219527.db2.gz BPFOMOIUELJYJO-UHFFFAOYSA-N -2 3 386.470 2.184 20 0 GEADHL Cc1oc(S(=O)(=O)[N-]CCc2ccn(-c3ccc(F)cc3)n2)cc1C(=O)[O-] ZINC000833026969 601223527 /nfs/dbraw/zinc/22/35/27/601223527.db2.gz LWYMJVTXEMDFAC-UHFFFAOYSA-N -2 3 393.396 2.132 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2ccccc2-n2cccn2)c1F ZINC000833294664 601233054 /nfs/dbraw/zinc/23/30/54/601233054.db2.gz UOSAIERIDIXIIE-UHFFFAOYSA-N -2 3 393.371 2.327 20 0 GEADHL CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C12CCC2 ZINC000829931372 601238426 /nfs/dbraw/zinc/23/84/26/601238426.db2.gz NVIBSWJXRAAXGC-NWDGAFQWSA-N -2 3 375.393 2.289 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@@H]2OCCc3sccc32)c1F ZINC000833293637 601239730 /nfs/dbraw/zinc/23/97/30/601239730.db2.gz BKGHWBKHFMPIHJ-JTQLQIEISA-N -2 3 389.401 2.317 20 0 GEADHL CCc1cnc(CC[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)s1 ZINC000830290306 601239812 /nfs/dbraw/zinc/23/98/12/601239812.db2.gz LOIQQOJYWIQWSL-UHFFFAOYSA-N -2 3 376.406 2.203 20 0 GEADHL COC[C@@H]([N-]S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1)c1ccc(C)o1 ZINC000521999308 601261766 /nfs/dbraw/zinc/26/17/66/601261766.db2.gz VMTAOXOKSLIYCD-OAHLLOKOSA-N -2 3 383.422 2.108 20 0 GEADHL C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](C(=O)[O-])c2cccc(Cl)c2)c(C)o1 ZINC000831033837 601358081 /nfs/dbraw/zinc/35/80/81/601358081.db2.gz GIJQAVPDQMUQKU-CYBMUJFWSA-N -2 3 387.797 2.132 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(Cl)cc2)oc1C ZINC000831343289 601387717 /nfs/dbraw/zinc/38/77/17/601387717.db2.gz KRBBLVLDCJQGFT-CYBMUJFWSA-N -2 3 387.797 2.132 20 0 GEADHL CC(C)[C@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000826747544 601398950 /nfs/dbraw/zinc/39/89/50/601398950.db2.gz MZYIBFPQMYCLSL-ZUZCIYMTSA-N -2 3 377.409 2.393 20 0 GEADHL CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)o1 ZINC000829881179 601401499 /nfs/dbraw/zinc/40/14/99/601401499.db2.gz AKPYFINEQDNCJS-UHFFFAOYSA-N -2 3 387.797 2.286 20 0 GEADHL CC[S@](=O)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000830145284 601442952 /nfs/dbraw/zinc/44/29/52/601442952.db2.gz NTNQIIQAJZWKFG-BYGADWOMSA-N -2 3 395.449 2.021 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)c(Cl)cc1Cl ZINC000831343597 601444201 /nfs/dbraw/zinc/44/42/01/601444201.db2.gz PCDCILWJWGCZHM-UHFFFAOYSA-N -2 3 396.248 2.456 20 0 GEADHL CCc1oc(C(=O)[O-])cc1COC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000830390955 601464318 /nfs/dbraw/zinc/46/43/18/601464318.db2.gz SMPDJLBFZKOFLB-UHFFFAOYSA-N -2 3 385.369 2.408 20 0 GEADHL CO[C@@H](C)c1nc(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)cs1 ZINC000831501434 601523956 /nfs/dbraw/zinc/52/39/56/601523956.db2.gz SJKMULYLGMDLIX-ZETCQYMHSA-N -2 3 392.405 2.305 20 0 GEADHL O=C([O-])C[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CC1 ZINC000767071907 601527854 /nfs/dbraw/zinc/52/78/54/601527854.db2.gz FOTNUKRYNKVRQR-GFCCVEGCSA-N -2 3 379.210 2.274 20 0 GEADHL CCCCC[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1)C(=O)[O-] ZINC000829332918 601644231 /nfs/dbraw/zinc/64/42/31/601644231.db2.gz DWLUUBBBSSMBOZ-AWEZNQCLSA-N -2 3 388.461 2.276 20 0 GEADHL Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC000683317812 601743142 /nfs/dbraw/zinc/74/31/42/601743142.db2.gz BEBGSLBUEOWOBM-QGZVFWFLSA-N -2 3 396.378 2.176 20 0 GEADHL CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000825565615 607532180 /nfs/dbraw/zinc/53/21/80/607532180.db2.gz WQDDZZQDYNEEOM-UHFFFAOYSA-N -2 3 387.421 2.153 20 0 GEADHL CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000825565615 607532181 /nfs/dbraw/zinc/53/21/81/607532181.db2.gz WQDDZZQDYNEEOM-UHFFFAOYSA-N -2 3 387.421 2.153 20 0 GEADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000738336222 602076783 /nfs/dbraw/zinc/07/67/83/602076783.db2.gz BUTFMJXFEGLJKL-UHFFFAOYSA-N -2 3 392.415 2.339 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccc(Cl)nc2)c(Br)o1 ZINC000184900003 602146837 /nfs/dbraw/zinc/14/68/37/602146837.db2.gz ZLGDBFXEMIUMAQ-UHFFFAOYSA-N -2 3 395.618 2.267 20 0 GEADHL CO[C@@]1(C)C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)C1(C)C ZINC000761317560 602160577 /nfs/dbraw/zinc/16/05/77/602160577.db2.gz FERAZHQNDZSKPT-RNCFNFMXSA-N -2 3 396.259 2.222 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCc3[nH]ccc32)c(Br)o1 ZINC000833303557 602163717 /nfs/dbraw/zinc/16/37/17/602163717.db2.gz WTDOGNDOTSXFLI-SECBINFHSA-N -2 3 389.227 2.424 20 0 GEADHL Cc1ccc(C(=O)NCCC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c([O-])c1 ZINC000832912110 602323900 /nfs/dbraw/zinc/32/39/00/602323900.db2.gz VDQQHTOAVLGEFZ-IFXJQAMLSA-N -2 3 384.432 2.399 20 0 GEADHL O=C([O-])N1CC[C@@H]([N-]S(=O)(=O)c2cc(Br)ccc2Cl)C1 ZINC000740505947 602568413 /nfs/dbraw/zinc/56/84/13/602568413.db2.gz HBBPBIMDUPFKAN-MRVPVSSYSA-N -2 3 383.651 2.133 20 0 GEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@@H](CNC(=O)[O-])C2CCCCC2)c1 ZINC000739793510 602569016 /nfs/dbraw/zinc/56/90/16/602569016.db2.gz QOKXEPJIFGIFQN-LBPRGKRZSA-N -2 3 390.483 2.030 20 0 GEADHL CCn1cc(CN2CCCN(C(=O)c3ccc(NC(=O)[O-])cc3[O-])CC2)cn1 ZINC000739567402 602861084 /nfs/dbraw/zinc/86/10/84/602861084.db2.gz QYEQSXIDYGLJIY-UHFFFAOYSA-N -2 3 387.440 2.047 20 0 GEADHL O=C([O-])N1CCCC[C@@H]([N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000740521192 602869653 /nfs/dbraw/zinc/86/96/53/602869653.db2.gz YDVITWSEHKDLQC-MRVPVSSYSA-N -2 3 383.289 2.321 20 0 GEADHL O=C([O-])N1CCCc2cc(NC(=O)C(=O)NCc3ccc([O-])c(F)c3)ccc21 ZINC000740450228 602925270 /nfs/dbraw/zinc/92/52/70/602925270.db2.gz DVQUFNWXZKEWLC-UHFFFAOYSA-N -2 3 387.367 2.217 20 0 GEADHL O=C([O-])CCc1csc([N-]C(=O)c2sccc2S(=O)(=O)C(F)F)n1 ZINC000833243499 604346903 /nfs/dbraw/zinc/34/69/03/604346903.db2.gz JCXPXAMVGJBLBZ-UHFFFAOYSA-N -2 3 396.418 2.470 20 0 GEADHL Cn1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccc(Cl)cc2)nc1Cl ZINC000833054009 604408442 /nfs/dbraw/zinc/40/84/42/604408442.db2.gz JWWNXGNWJGRETJ-JTQLQIEISA-N -2 3 378.237 2.221 20 0 GEADHL Cc1cc(=O)[n-]c(CN2CCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)n1 ZINC000832899625 604494951 /nfs/dbraw/zinc/49/49/51/604494951.db2.gz QTJPWHPIEOQLGW-QGZVFWFLSA-N -2 3 376.844 2.088 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cn(C)c1=O ZINC000832898176 604625559 /nfs/dbraw/zinc/62/55/59/604625559.db2.gz FBGNRIYJYPAXBX-UHFFFAOYSA-N -2 3 391.232 2.500 20 0 GEADHL O=C([O-])C[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000455879959 604668837 /nfs/dbraw/zinc/66/88/37/604668837.db2.gz SIVWCRPZTTWRLN-LLVKDONJSA-N -2 3 395.412 2.034 20 0 GEADHL C[C@@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CCO1 ZINC000825327801 604770913 /nfs/dbraw/zinc/77/09/13/604770913.db2.gz SEIUKULRCNGAMG-KUHUBIRLSA-N -2 3 384.432 2.480 20 0 GEADHL O=C([O-])Cn1cc(CCSc2nnc([N-]c3ccccc3F)s2)nn1 ZINC000833273209 604780158 /nfs/dbraw/zinc/78/01/58/604780158.db2.gz BWBKMDUMIFKGIM-UHFFFAOYSA-N -2 3 380.430 2.432 20 0 GEADHL O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)Nc3cc(Cl)ccc3[O-])cc2)[n-]1 ZINC000833776479 604795133 /nfs/dbraw/zinc/79/51/33/604795133.db2.gz VRZAKCOGMICQDT-UHFFFAOYSA-N -3 3 387.779 2.404 20 0 GEADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(C(=O)[O-])c2O)ccc1F ZINC000833505162 604798422 /nfs/dbraw/zinc/79/84/22/604798422.db2.gz YFNGOKVJQDLYSA-UHFFFAOYSA-N -2 3 396.396 2.169 20 0 GEADHL CCc1cc(=O)[n-]c(CSCC(=O)NCc2ccc(NC(=O)[O-])cc2)n1 ZINC000830224406 604805117 /nfs/dbraw/zinc/80/51/17/604805117.db2.gz NFTABYJJNUBXBX-UHFFFAOYSA-N -2 3 376.438 2.384 20 0 GEADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-] ZINC000547602170 604872721 /nfs/dbraw/zinc/87/27/21/604872721.db2.gz PRNUFRZNUAJWDD-SNVBAGLBSA-N -2 3 384.332 2.391 20 0 GEADHL Cc1nc(C2([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(Cl)c3)CCCC2)no1 ZINC000575745585 605000703 /nfs/dbraw/zinc/00/07/03/605000703.db2.gz LNISXQIZBSJXCN-UHFFFAOYSA-N -2 3 385.829 2.477 20 0 GEADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000547591938 605046727 /nfs/dbraw/zinc/04/67/27/605046727.db2.gz JRPGMYKKKVSAKM-GXTWGEPZSA-N -2 3 387.429 2.314 20 0 GEADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(=O)OCc1ccccc1 ZINC000833446825 605210944 /nfs/dbraw/zinc/21/09/44/605210944.db2.gz LWWMEUDNEIEEES-OAHLLOKOSA-N -2 3 395.433 2.414 20 0 GEADHL C[C@@H]1OCC[C@]1(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000833633259 605412598 /nfs/dbraw/zinc/41/25/98/605412598.db2.gz DGVCWADVMYOTMS-CPFSXVBKSA-N -2 3 396.234 2.132 20 0 GEADHL O=C([O-])c1ccc(CS(=O)(=O)[N-]CC(=O)OCc2ccc(Cl)cc2)cc1 ZINC000833765077 605425465 /nfs/dbraw/zinc/42/54/65/605425465.db2.gz WCAWHVNTKYPQRO-UHFFFAOYSA-N -2 3 397.836 2.201 20 0 GEADHL CC[C@H](NC(=O)[O-])C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000827513634 605789156 /nfs/dbraw/zinc/78/91/56/605789156.db2.gz BXYPTTODJSTGJN-LBPRGKRZSA-N -2 3 383.832 2.269 20 0 GEADHL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000821476128 606210175 /nfs/dbraw/zinc/21/01/75/606210175.db2.gz JATVDSFFWVXCTL-UHFFFAOYSA-N -3 3 391.384 2.067 20 0 GEADHL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000821476128 606210176 /nfs/dbraw/zinc/21/01/76/606210176.db2.gz JATVDSFFWVXCTL-UHFFFAOYSA-N -3 3 391.384 2.067 20 0 GEADHL Cc1cccnc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822369736 606358123 /nfs/dbraw/zinc/35/81/23/606358123.db2.gz MUJMPEJZQIMRNW-UHFFFAOYSA-N -2 3 384.343 2.390 20 0 GEADHL Cc1cccnc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822369736 606358124 /nfs/dbraw/zinc/35/81/24/606358124.db2.gz MUJMPEJZQIMRNW-UHFFFAOYSA-N -2 3 384.343 2.390 20 0 GEADHL O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c(F)c1 ZINC000823387455 606431152 /nfs/dbraw/zinc/43/11/52/606431152.db2.gz KQMCDIFWTRBIBY-UHFFFAOYSA-N -2 3 397.775 2.158 20 0 GEADHL O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)c(F)c1 ZINC000823387455 606431154 /nfs/dbraw/zinc/43/11/54/606431154.db2.gz KQMCDIFWTRBIBY-UHFFFAOYSA-N -2 3 397.775 2.158 20 0 GEADHL CCNc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000821310195 606600570 /nfs/dbraw/zinc/60/05/70/606600570.db2.gz XNYSMLCGLOURCL-UHFFFAOYSA-N -2 3 380.380 2.378 20 0 GEADHL CC(C)(C)n1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc3c(c2)CCC3)n1 ZINC000819971278 606606215 /nfs/dbraw/zinc/60/62/15/606606215.db2.gz GTIIANIXRXBZLJ-UHFFFAOYSA-N -2 3 387.469 2.108 20 0 GEADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000821765814 606611558 /nfs/dbraw/zinc/61/15/58/606611558.db2.gz LPFZQBBWCQQLSF-UHFFFAOYSA-N -2 3 381.364 2.263 20 0 GEADHL CC(C)(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000819898693 606622846 /nfs/dbraw/zinc/62/28/46/606622846.db2.gz IBIDUBZJUUHUAF-UHFFFAOYSA-N -2 3 386.437 2.291 20 0 GEADHL CC(C)(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000819898693 606622847 /nfs/dbraw/zinc/62/28/47/606622847.db2.gz IBIDUBZJUUHUAF-UHFFFAOYSA-N -2 3 386.437 2.291 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)ncc1Br ZINC000822210780 606628335 /nfs/dbraw/zinc/62/83/35/606628335.db2.gz QTRZIVSBVUXPGN-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)ncc1Br ZINC000822210780 606628337 /nfs/dbraw/zinc/62/83/37/606628337.db2.gz QTRZIVSBVUXPGN-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL Cc1ccc2cccc(S(=O)(=O)[N-]c3cc(-c4nn[n-]n4)ccc3O)c2n1 ZINC000822280373 606633147 /nfs/dbraw/zinc/63/31/47/606633147.db2.gz LMKZCYVVGOPDDA-UHFFFAOYSA-N -2 3 382.405 2.230 20 0 GEADHL Cc1cncc([N-]S(=O)(=O)c2cc(Br)cc(-c3nn[n-]n3)c2)c1 ZINC000822400119 606637199 /nfs/dbraw/zinc/63/71/99/606637199.db2.gz XASIPYVHAXGVNL-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL O=S(=O)([N-]c1ccccc1OCC(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000823589144 606789106 /nfs/dbraw/zinc/78/91/06/606789106.db2.gz PJTFTQDUORHTOA-UHFFFAOYSA-N -2 3 381.364 2.311 20 0 GEADHL O=S(=O)([N-]c1ccccc1OCC(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000823589144 606789108 /nfs/dbraw/zinc/78/91/08/606789108.db2.gz PJTFTQDUORHTOA-UHFFFAOYSA-N -2 3 381.364 2.311 20 0 GEADHL CCOc1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000821430716 606866240 /nfs/dbraw/zinc/86/62/40/606866240.db2.gz FMVWLQCIMLJUFF-UHFFFAOYSA-N -2 3 381.364 2.344 20 0 GEADHL CCOc1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000821430716 606866242 /nfs/dbraw/zinc/86/62/42/606866242.db2.gz FMVWLQCIMLJUFF-UHFFFAOYSA-N -2 3 381.364 2.344 20 0 GEADHL COc1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)cc1F ZINC000821837745 606866313 /nfs/dbraw/zinc/86/63/13/606866313.db2.gz GXDKKDUJGKLLQU-UHFFFAOYSA-N -2 3 385.327 2.093 20 0 GEADHL COc1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)cc1F ZINC000821837745 606866315 /nfs/dbraw/zinc/86/63/15/606866315.db2.gz GXDKKDUJGKLLQU-UHFFFAOYSA-N -2 3 385.327 2.093 20 0 GEADHL O=S(=O)([N-]c1cccc2[nH]ccc21)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823588762 606866677 /nfs/dbraw/zinc/86/66/77/606866677.db2.gz AVKZNWPJZJLJRB-UHFFFAOYSA-N -2 3 376.348 2.427 20 0 GEADHL O=S(=O)([N-]c1cccc2[nH]ccc21)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823588762 606866679 /nfs/dbraw/zinc/86/66/79/606866679.db2.gz AVKZNWPJZJLJRB-UHFFFAOYSA-N -2 3 376.348 2.427 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c(C)c1O ZINC000822258861 606866851 /nfs/dbraw/zinc/86/68/51/606866851.db2.gz FTCRCJWHILNNET-UHFFFAOYSA-N -2 3 381.364 2.268 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c(C)c1O ZINC000822258861 606866853 /nfs/dbraw/zinc/86/68/53/606866853.db2.gz FTCRCJWHILNNET-UHFFFAOYSA-N -2 3 381.364 2.268 20 0 GEADHL O=S(=O)([N-]C1(c2ccccc2)CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823567947 606889030 /nfs/dbraw/zinc/88/90/30/606889030.db2.gz ZMGUPPGRMDNMNT-UHFFFAOYSA-N -2 3 377.376 2.113 20 0 GEADHL O=S(=O)([N-]C[C@H]1CCc2ccccc21)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572355 606891260 /nfs/dbraw/zinc/89/12/60/606891260.db2.gz HBWJUVAVEPXQTP-LLVKDONJSA-N -2 3 391.403 2.153 20 0 GEADHL Cc1cc(Cl)cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)c1 ZINC000822202253 606917795 /nfs/dbraw/zinc/91/77/95/606917795.db2.gz SIGXRENBILPSRE-UHFFFAOYSA-N -2 3 391.840 2.088 20 0 GEADHL Cc1cc(Cl)cc(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)c1 ZINC000822202253 606917797 /nfs/dbraw/zinc/91/77/97/606917797.db2.gz SIGXRENBILPSRE-UHFFFAOYSA-N -2 3 391.840 2.088 20 0 GEADHL O=S(=O)([N-]c1ccc(F)nc1)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823589169 606980899 /nfs/dbraw/zinc/98/08/99/606980899.db2.gz QYYZUWOFDQCOPX-UHFFFAOYSA-N -2 3 388.306 2.220 20 0 GEADHL O=S(=O)([N-]c1ccc(F)nc1)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823589169 606980900 /nfs/dbraw/zinc/98/09/00/606980900.db2.gz QYYZUWOFDQCOPX-UHFFFAOYSA-N -2 3 388.306 2.220 20 0 GEADHL O=C([N-]c1nnc(CC(F)(F)F)s1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823383155 607100476 /nfs/dbraw/zinc/10/04/76/607100476.db2.gz MSANVZKGPCIDPL-UHFFFAOYSA-N -2 3 391.285 2.354 20 0 GEADHL CC[C@@](NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1)(C(=O)[O-])c1ccccc1 ZINC000820913966 607104654 /nfs/dbraw/zinc/10/46/54/607104654.db2.gz LVMYKGIDSAXUEM-RBZFPXEDSA-N -2 3 395.419 2.140 20 0 GEADHL CC[C@@](NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1)(C(=O)[O-])c1ccccc1 ZINC000820913966 607104655 /nfs/dbraw/zinc/10/46/55/607104655.db2.gz LVMYKGIDSAXUEM-RBZFPXEDSA-N -2 3 395.419 2.140 20 0 GEADHL C[C@@H](c1ccccc1)n1ccc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)n1 ZINC000820571242 607112329 /nfs/dbraw/zinc/11/23/29/607112329.db2.gz WOHXKOHPNGRSRF-ZDUSSCGKSA-N -2 3 395.448 2.473 20 0 GEADHL C[C@@H](c1ccccc1)n1ccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)n1 ZINC000820571242 607112330 /nfs/dbraw/zinc/11/23/30/607112330.db2.gz WOHXKOHPNGRSRF-ZDUSSCGKSA-N -2 3 395.448 2.473 20 0 GEADHL CC1(C)CCCC[C@H]1CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000824802479 607777364 /nfs/dbraw/zinc/77/73/64/607777364.db2.gz NLVWDMVWWSMTLU-HNNXBMFYSA-N -2 3 391.497 2.419 20 0 GEADHL CC1(C)CCCC[C@H]1CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000824802479 607777365 /nfs/dbraw/zinc/77/73/65/607777365.db2.gz NLVWDMVWWSMTLU-HNNXBMFYSA-N -2 3 391.497 2.419 20 0 GEADHL O=S(=O)([N-]c1nc2ccccc2[nH]1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826492876 607792072 /nfs/dbraw/zinc/79/20/72/607792072.db2.gz JFUCQUIAORQKPG-UHFFFAOYSA-N -2 3 375.801 2.197 20 0 GEADHL O=S(=O)([N-]c1nc2ccccc2[nH]1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826492876 607792073 /nfs/dbraw/zinc/79/20/73/607792073.db2.gz JFUCQUIAORQKPG-UHFFFAOYSA-N -2 3 375.801 2.197 20 0 GEADHL CC1(CC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CCCCC1 ZINC000824817651 607806349 /nfs/dbraw/zinc/80/63/49/607806349.db2.gz PZVVGUMGOJGWRP-UHFFFAOYSA-N -2 3 377.470 2.173 20 0 GEADHL CC1(CC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CCCCC1 ZINC000824817651 607806350 /nfs/dbraw/zinc/80/63/50/607806350.db2.gz PZVVGUMGOJGWRP-UHFFFAOYSA-N -2 3 377.470 2.173 20 0 GEADHL CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(OCC(=O)[O-])c(OC)c1 ZINC000825782318 607975768 /nfs/dbraw/zinc/97/57/68/607975768.db2.gz CIIVGFJYSMTAOS-UHFFFAOYSA-N -2 3 394.391 2.375 20 0 GEADHL CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(OCC(=O)[O-])c(OC)c1 ZINC000825782318 607975769 /nfs/dbraw/zinc/97/57/69/607975769.db2.gz CIIVGFJYSMTAOS-UHFFFAOYSA-N -2 3 394.391 2.375 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3cn[nH]c3)c2)c1-c1nn[n-]n1 ZINC000826303775 608054404 /nfs/dbraw/zinc/05/44/04/608054404.db2.gz DWFXZPVPGJFCOG-UHFFFAOYSA-N -2 3 381.421 2.366 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)nn1-c1ccccc1 ZINC000826271166 608220125 /nfs/dbraw/zinc/22/01/25/608220125.db2.gz GEJPEJXRRXTQSG-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)nn1-c1ccccc1 ZINC000826271166 608220126 /nfs/dbraw/zinc/22/01/26/608220126.db2.gz GEJPEJXRRXTQSG-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)o2)cc1-c1nnn[n-]1 ZINC000825553520 608293987 /nfs/dbraw/zinc/29/39/87/608293987.db2.gz SAUNZLUISQCFKL-UHFFFAOYSA-N -2 3 392.397 2.137 20 0 GEADHL CCOC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)o2)cc1-c1nn[n-]n1 ZINC000825553520 608293989 /nfs/dbraw/zinc/29/39/89/608293989.db2.gz SAUNZLUISQCFKL-UHFFFAOYSA-N -2 3 392.397 2.137 20 0 GEADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1ccc(C(F)(F)F)cc1Cl ZINC000826492338 608307126 /nfs/dbraw/zinc/30/71/26/608307126.db2.gz FPDWYNQMVVOLHV-UHFFFAOYSA-N -2 3 393.738 2.063 20 0 GEADHL CCOC(=O)c1cnc(C=Cc2ccc(-c3nnn[n-]3)cc2F)c(C(=O)[O-])c1 ZINC000825564580 608386583 /nfs/dbraw/zinc/38/65/83/608386583.db2.gz ABHOVWRTOAINSZ-WAYWQWQTSA-N -2 3 383.339 2.446 20 0 GEADHL CCOC(=O)c1cnc(C=Cc2ccc(-c3nn[n-]n3)cc2F)c(C(=O)[O-])c1 ZINC000825564580 608386585 /nfs/dbraw/zinc/38/65/85/608386585.db2.gz ABHOVWRTOAINSZ-WAYWQWQTSA-N -2 3 383.339 2.446 20 0 GEADHL Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824858109 608493642 /nfs/dbraw/zinc/49/36/42/608493642.db2.gz HLLTZCPXWWBYDM-OAHLLOKOSA-N -2 3 395.810 2.498 20 0 GEADHL Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824858109 608493643 /nfs/dbraw/zinc/49/36/43/608493643.db2.gz HLLTZCPXWWBYDM-OAHLLOKOSA-N -2 3 395.810 2.498 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)nn1-c1ccc(C)cc1 ZINC000826281476 608583475 /nfs/dbraw/zinc/58/34/75/608583475.db2.gz UKULJUBGTPMFMI-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)nn1-c1ccc(C)cc1 ZINC000826281476 608583477 /nfs/dbraw/zinc/58/34/77/608583477.db2.gz UKULJUBGTPMFMI-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL Cc1cc(C)cc(CCC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)c1 ZINC000826264676 609255348 /nfs/dbraw/zinc/25/53/48/609255348.db2.gz WGLQXJHSSRJEJZ-UHFFFAOYSA-N -2 3 399.476 2.062 20 0 GEADHL Cc1cc(C)cc(CCC(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)c1 ZINC000826264676 609255350 /nfs/dbraw/zinc/25/53/50/609255350.db2.gz WGLQXJHSSRJEJZ-UHFFFAOYSA-N -2 3 399.476 2.062 20 0 GEADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cc(C2CCCC2)nn1C ZINC000826255775 609383330 /nfs/dbraw/zinc/38/33/30/609383330.db2.gz KCPJBINZHGFUQE-UHFFFAOYSA-N -2 3 387.469 2.367 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cc(C2CCCC2)nn1C ZINC000826255775 609383331 /nfs/dbraw/zinc/38/33/31/609383331.db2.gz KCPJBINZHGFUQE-UHFFFAOYSA-N -2 3 387.469 2.367 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ncn(C2CCCCC2)n1 ZINC000826280306 609500070 /nfs/dbraw/zinc/50/00/70/609500070.db2.gz WZBFXFKGRQYJTG-UHFFFAOYSA-N -2 3 388.457 2.073 20 0 GEADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826261144 609525832 /nfs/dbraw/zinc/52/58/32/609525832.db2.gz SMFZOAQVKARQOT-UHFFFAOYSA-N -3 3 393.812 2.328 20 0 GEADHL COCc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826165400 609526142 /nfs/dbraw/zinc/52/61/42/609526142.db2.gz SPVRTVUEFFWZFF-UHFFFAOYSA-N -2 3 379.829 2.467 20 0 GEADHL COCc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826165400 609526143 /nfs/dbraw/zinc/52/61/43/609526143.db2.gz SPVRTVUEFFWZFF-UHFFFAOYSA-N -2 3 379.829 2.467 20 0 GEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(S(C)(=O)=O)cc(C)c2C)c1 ZINC000479284826 650600694 /nfs/dbraw/zinc/60/06/94/650600694.db2.gz QNAXSVZDCBWAST-UHFFFAOYSA-N -2 3 385.463 2.222 20 0 GEADHL CSc1ccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)cn1 ZINC000532766547 650752971 /nfs/dbraw/zinc/75/29/71/650752971.db2.gz JRRGPJJYLGOPLM-UHFFFAOYSA-N -2 3 391.471 2.115 20 0 GEADHL CC(C)C[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000060051339 642832853 /nfs/dbraw/zinc/83/28/53/642832853.db2.gz GSJXSNBPVRYXFD-SECBINFHSA-N -2 3 384.332 2.391 20 0 GEADHL Cc1cccnc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000071343902 643060180 /nfs/dbraw/zinc/06/01/80/643060180.db2.gz INJXQMQFFLOMAT-UHFFFAOYSA-N -2 3 391.268 2.391 20 0 GEADHL COc1cncc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Br)c1 ZINC000542841468 650891910 /nfs/dbraw/zinc/89/19/10/650891910.db2.gz HFWFKMJTILLQJE-UHFFFAOYSA-N -2 3 387.211 2.352 20 0 GEADHL CC(=O)c1cc(S(=O)(=O)[N-][N-]C(=O)CC(C)(C)C)ccc1Br ZINC000179993568 644482786 /nfs/dbraw/zinc/48/27/86/644482786.db2.gz VQQHXWQLNQGPHZ-UHFFFAOYSA-N -2 3 391.287 2.397 20 0 GEADHL Cc1ccc(Br)c(S(=O)(=O)[N-][N-]C(=O)NCc2ccccc2)c1 ZINC000189128519 645133764 /nfs/dbraw/zinc/13/37/64/645133764.db2.gz CGQHELMAPLIOQA-UHFFFAOYSA-N -2 3 398.282 2.450 20 0 GEADHL N#Cc1ccc(C(=O)N[N-]C(=O)c2ccc(F)cc2Br)cc1[O-] ZINC000190772294 645164998 /nfs/dbraw/zinc/16/49/98/645164998.db2.gz WTONWLPPMUVPDC-UHFFFAOYSA-N -2 3 378.157 2.240 20 0 GEADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000547558971 651032200 /nfs/dbraw/zinc/03/22/00/651032200.db2.gz WGJIGHCDUBQCLT-CYBMUJFWSA-N -2 3 383.813 2.232 20 0 GEADHL CC[C@](C)(C[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC)C(=O)[O-] ZINC000547563325 651033092 /nfs/dbraw/zinc/03/30/92/651033092.db2.gz SCBFIYJVIXWUCT-CYBMUJFWSA-N -2 3 398.250 2.376 20 0 GEADHL Cc1ncc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2Br)s1 ZINC000547872747 651049273 /nfs/dbraw/zinc/04/92/73/651049273.db2.gz OEXOUZNECJYHCI-LLVKDONJSA-N -2 3 391.268 2.318 20 0 GEADHL CC[C@@H](C[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC)CC(=O)[O-] ZINC000547904321 651053786 /nfs/dbraw/zinc/05/37/86/651053786.db2.gz MWMVJWCLOOCXGC-SNVBAGLBSA-N -2 3 385.463 2.467 20 0 GEADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])CC(C)(C)C)s1 ZINC000274929675 646334886 /nfs/dbraw/zinc/33/48/86/646334886.db2.gz CFOWJZYLFAXCIS-SECBINFHSA-N -2 3 393.483 2.101 20 0 GEADHL CCC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000274966853 646337757 /nfs/dbraw/zinc/33/77/57/646337757.db2.gz IHMPXHSUMUYEQY-JTQLQIEISA-N -2 3 387.763 2.460 20 0 GEADHL C[C@@](CO)(C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)CC(=O)[O-] ZINC000275816251 646360013 /nfs/dbraw/zinc/36/00/13/646360013.db2.gz YJGZINDUTRRXJP-LBPRGKRZSA-N -2 3 389.779 2.110 20 0 GEADHL CCC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(=O)[O-] ZINC000281361805 646764905 /nfs/dbraw/zinc/76/49/05/646764905.db2.gz BVRCMFDKPBTBPT-SNVBAGLBSA-N -2 3 398.662 2.203 20 0 GEADHL Cc1nc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)sc1Br ZINC000414322298 648092895 /nfs/dbraw/zinc/09/28/95/648092895.db2.gz FKBVFTFNLVUFQA-UHFFFAOYSA-N -2 3 395.256 2.292 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCOC1 ZINC000548200895 651067791 /nfs/dbraw/zinc/06/77/91/651067791.db2.gz VBUAQAGQHNYQAW-RDDDGLTNSA-N -2 3 387.763 2.127 20 0 GEADHL COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)C(=O)[O-] ZINC000548531644 651079302 /nfs/dbraw/zinc/07/93/02/651079302.db2.gz ZWGJLBGEQQBQTF-AWEZNQCLSA-N -2 3 375.324 2.217 20 0 GEADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]CCC(C)(C)CCC(=O)[O-] ZINC000548593904 651081420 /nfs/dbraw/zinc/08/14/20/651081420.db2.gz RIPHOVNYKNXUAF-UHFFFAOYSA-N -2 3 375.418 2.172 20 0 GEADHL C[C@@H]1CCC[C@@]([N-]S(=O)(=O)c2ccc(Br)cn2)(C(=O)[O-])C1 ZINC000548771269 651085574 /nfs/dbraw/zinc/08/55/74/651085574.db2.gz YUIXOSFMDWCJGK-RNCFNFMXSA-N -2 3 377.260 2.156 20 0 GEADHL COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)(F)F)c1 ZINC000551910275 651135967 /nfs/dbraw/zinc/13/59/67/651135967.db2.gz OYPZYLDFKFCYGV-SSDOTTSWSA-N -2 3 375.752 2.280 20 0 GEADHL O=C([O-])c1ccc(I)c([N-]S(=O)(=O)c2ccoc2)c1 ZINC000551999395 651137185 /nfs/dbraw/zinc/13/71/85/651137185.db2.gz YRRLABWBDDXDME-UHFFFAOYSA-N -2 3 393.158 2.383 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)[C@H]1CCOC1 ZINC000560417870 651309043 /nfs/dbraw/zinc/30/90/43/651309043.db2.gz IKFZZFQNPIQFLG-WRWORJQWSA-N -2 3 387.763 2.127 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)[C@@H]1CCOC1 ZINC000560417866 651309093 /nfs/dbraw/zinc/30/90/93/651309093.db2.gz IKFZZFQNPIQFLG-HQJQHLMTSA-N -2 3 387.763 2.127 20 0 GEADHL CCC[C@@H](O)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000560419697 651309291 /nfs/dbraw/zinc/30/92/91/651309291.db2.gz PVWSYQSBVGYHLK-MWLCHTKSSA-N -2 3 389.779 2.251 20 0 GEADHL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000643434140 651487510 /nfs/dbraw/zinc/48/75/10/651487510.db2.gz JGTGDLFLNZNNPA-ZJUUUORDSA-N -2 3 393.237 2.473 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@@]2(C)C(=O)[O-])cc1Cl ZINC000562320100 651492210 /nfs/dbraw/zinc/49/22/10/651492210.db2.gz URDHIDRWULYTOY-UKRRQHHQSA-N -2 3 392.836 2.359 20 0 GEADHL O=C([O-])[C@H](Cc1ccncc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000647928082 651765898 /nfs/dbraw/zinc/76/58/98/651765898.db2.gz DJEIQHRHJSAAIP-LBPRGKRZSA-N -2 3 375.233 2.363 20 0 GEADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000614309353 651819771 /nfs/dbraw/zinc/81/97/71/651819771.db2.gz CDCDMIXDQCRAMN-UHFFFAOYSA-N -2 3 390.776 2.181 20 0 GEADHL Cc1ccc([C@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2scnc2C(=O)[O-])cc1 ZINC000571438256 651832278 /nfs/dbraw/zinc/83/22/78/651832278.db2.gz CHLMMJWWZMIJPP-GXTWGEPZSA-N -2 3 382.463 2.348 20 0 GEADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000572808372 651913136 /nfs/dbraw/zinc/91/31/36/651913136.db2.gz FHOGDGTTWUWZOW-UHFFFAOYSA-N -2 3 378.834 2.188 20 0 GEADHL CO[C@H](CS(=O)(=O)[N-]c1cc(Br)c(F)cc1C(=O)[O-])C1CC1 ZINC000576107285 652097443 /nfs/dbraw/zinc/09/74/43/652097443.db2.gz HOQFQNWCDBQTOL-GFCCVEGCSA-N -2 3 396.234 2.453 20 0 GEADHL CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000657142220 652133079 /nfs/dbraw/zinc/13/30/79/652133079.db2.gz AMXGGSUDEUHFJV-KOLCDFICSA-N -2 3 391.287 2.402 20 0 GEADHL O=C(OCC1=Nc2ccccc2S(=O)(=O)[N-]1)c1cc(F)cc(Cl)c1[O-] ZINC000751734606 652365683 /nfs/dbraw/zinc/36/56/83/652365683.db2.gz MVLKJWAPODQQSG-UHFFFAOYSA-N -2 3 384.772 2.364 20 0 GEADHL O=C([O-])[C@H](CC(F)F)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000582363813 652447542 /nfs/dbraw/zinc/44/75/42/652447542.db2.gz KESADVCVAIDAGA-ZETCQYMHSA-N -2 3 392.605 2.489 20 0 GEADHL COC[C@@H]([N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)c1ccc(F)c(F)c1 ZINC000663424170 652498278 /nfs/dbraw/zinc/49/82/78/652498278.db2.gz JIZYKCZDDHDQDO-GFCCVEGCSA-N -2 3 375.349 2.230 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2Br)c[nH]c1=O ZINC000756937877 652509121 /nfs/dbraw/zinc/50/91/21/652509121.db2.gz JIFZHCUBWMLDET-UHFFFAOYSA-N -2 3 393.240 2.419 20 0 GEADHL NC(=O)c1ccc([N-]S(=O)(=O)Cc2ccccc2CC(=O)[O-])cc1Cl ZINC000584264013 652514276 /nfs/dbraw/zinc/51/42/76/652514276.db2.gz CMLQGCSPUFXFBY-UHFFFAOYSA-N -2 3 382.825 2.008 20 0 GEADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C[S@@](C)=O ZINC000584502745 652523196 /nfs/dbraw/zinc/52/31/96/652523196.db2.gz UEJOYJYQXQYYFN-XMMPIXPASA-N -2 3 383.447 2.078 20 0 GEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)c[n-]1 ZINC000585731001 652535357 /nfs/dbraw/zinc/53/53/57/652535357.db2.gz WXAPQOKJSIHIGI-UHFFFAOYSA-N -2 3 392.206 2.289 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)c(=O)n(C)c1 ZINC000765144147 652826877 /nfs/dbraw/zinc/82/68/77/652826877.db2.gz VFKKYRZHIOELFJ-UHFFFAOYSA-N -2 3 391.232 2.500 20 0 GEADHL CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000771147714 653097586 /nfs/dbraw/zinc/09/75/86/653097586.db2.gz HUDVLMQSADNXSP-UHFFFAOYSA-N -2 3 386.426 2.201 20 0 GEADHL O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)c1cccc(Cl)c1[O-] ZINC000775784054 653329115 /nfs/dbraw/zinc/32/91/15/653329115.db2.gz MRJDKFLSTFKOOP-UHFFFAOYSA-N -2 3 395.289 2.469 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1cc(F)ccc1F ZINC000776505635 653353091 /nfs/dbraw/zinc/35/30/91/653353091.db2.gz LJNKJPPJOBWAIZ-NSHDSACASA-N -2 3 396.165 2.425 20 0 GEADHL COC(=O)c1nc(Cl)ccc1S(=O)(=O)[N-]CCC(C)(C)CCC(=O)[O-] ZINC000776575127 653360927 /nfs/dbraw/zinc/36/09/27/653360927.db2.gz YWOLAZSLDZBDNM-UHFFFAOYSA-N -2 3 392.861 2.081 20 0 GEADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)/C=C/c1ccccc1F ZINC000811833092 653408611 /nfs/dbraw/zinc/40/86/11/653408611.db2.gz LUCMFGKCQDHQQF-MDZDMXLPSA-N -2 3 388.417 2.286 20 0 GEADHL CC1(C)CC[C@@H](C[N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)O1 ZINC000777951981 653413656 /nfs/dbraw/zinc/41/36/56/653413656.db2.gz RQRTVBAMZDJLAI-ZETCQYMHSA-N -2 3 398.300 2.445 20 0 GEADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)C1CC1 ZINC000837288688 653419654 /nfs/dbraw/zinc/41/96/54/653419654.db2.gz PEWVKIMDAXODRF-SECBINFHSA-N -2 3 383.651 2.029 20 0 GEADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)CCC1 ZINC000837289361 653420179 /nfs/dbraw/zinc/42/01/79/653420179.db2.gz ZEHJSSADQBOBBD-UHFFFAOYSA-N -2 3 397.678 2.421 20 0 GEADHL C[C@@]1(C(=O)[O-])CCC[C@H]1[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000837289890 653420728 /nfs/dbraw/zinc/42/07/28/653420728.db2.gz IKRLECZWJYHZNK-BXKDBHETSA-N -2 3 397.678 2.419 20 0 GEADHL CO[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000840890392 653697930 /nfs/dbraw/zinc/69/79/30/653697930.db2.gz NBQNLGOHNOYZHQ-KWQFWETISA-N -2 3 398.264 2.021 20 0 GEADHL CO[C@H]([C@@H](C)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br)C1CC1 ZINC000840894602 653698698 /nfs/dbraw/zinc/69/86/98/653698698.db2.gz CVNYABNJIYPRHH-LHLIQPBNSA-N -2 3 398.300 2.301 20 0 GEADHL CCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000784898866 653700990 /nfs/dbraw/zinc/70/09/90/653700990.db2.gz JVCQMSQQDVVXNL-LLVKDONJSA-N -2 3 394.490 2.219 20 0 GEADHL COC(=O)c1sc(S(=O)(=O)[N-][C@H]2CCC[C@@]2(C)C(=O)[O-])c(C)c1Cl ZINC000788442846 653756592 /nfs/dbraw/zinc/75/65/92/653756592.db2.gz QKJYSWQXCCURDU-RMLUDKJBSA-N -2 3 395.886 2.418 20 0 GEADHL COC(=O)c1sc(S(=O)(=O)[N-][C@@H]2CCC[C@@]2(C)C(=O)[O-])c(C)c1Cl ZINC000788442848 653756603 /nfs/dbraw/zinc/75/66/03/653756603.db2.gz QKJYSWQXCCURDU-XLKFXECMSA-N -2 3 395.886 2.418 20 0 GEADHL Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000788491550 653757422 /nfs/dbraw/zinc/75/74/22/653757422.db2.gz RCHRHWGSIVBKMT-UHFFFAOYSA-N -2 3 393.849 2.355 20 0 GEADHL O=C([O-])[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC2=O ZINC000844785046 653817800 /nfs/dbraw/zinc/81/78/00/653817800.db2.gz FPWGUIPQCMTUMC-SECBINFHSA-N -2 3 385.747 2.153 20 0 GEADHL CC(C)=CCSC[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C(=O)[O-] ZINC000844790287 653818193 /nfs/dbraw/zinc/81/81/93/653818193.db2.gz RRFKNTKXUYMIQR-LLVKDONJSA-N -2 3 382.866 2.305 20 0 GEADHL CC1(C)C[C@@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)CCO1 ZINC000844895120 653825509 /nfs/dbraw/zinc/82/55/09/653825509.db2.gz FTGZHEOWMFSRNF-ZETCQYMHSA-N -2 3 398.300 2.445 20 0 GEADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](C[C@@H](C)CC)C(=O)[O-])c1 ZINC000794762973 653919076 /nfs/dbraw/zinc/91/90/76/653919076.db2.gz XPOUEIQZMDZNAZ-GXFFZTMASA-N -2 3 375.418 2.170 20 0 GEADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@H](CC(C)C)C(=O)[O-])c1 ZINC000794763457 653919525 /nfs/dbraw/zinc/91/95/25/653919525.db2.gz DQPOMZBDQAVSBQ-LBPRGKRZSA-N -2 3 375.418 2.028 20 0 GEADHL O=C(c1cccc(I)c1[O-])N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898217176 653958505 /nfs/dbraw/zinc/95/85/05/653958505.db2.gz FJZMZFZVUVTGDH-MRVPVSSYSA-N -2 3 399.188 2.055 20 0 GEADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-]C1CC(CC(=O)[O-])C1 ZINC000899933373 654039077 /nfs/dbraw/zinc/03/90/77/654039077.db2.gz PYCPSDKAERXJBL-UHFFFAOYSA-N -2 3 396.234 2.128 20 0 GEADHL Cc1cnc(Cl)c(S(=O)(=O)[N-][C@H]2CCSC3(CC(C(=O)[O-])C3)C2)c1 ZINC000899949772 654040877 /nfs/dbraw/zinc/04/08/77/654040877.db2.gz RDWAJTROLGPLCW-VTWZXRTESA-N -2 3 390.914 2.451 20 0 GEADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)C1CCC1 ZINC000853025983 654273587 /nfs/dbraw/zinc/27/35/87/654273587.db2.gz ZGWHIQFOHLIGHR-SECBINFHSA-N -2 3 397.678 2.277 20 0 GEADHL COc1cc(S(=O)(=O)[N-]C[C@@H](CCC(=O)[O-])C(F)(F)F)cnc1Cl ZINC000853071337 654276617 /nfs/dbraw/zinc/27/66/17/654276617.db2.gz IMBJZIJXQLJTSM-SSDOTTSWSA-N -2 3 390.767 2.065 20 0 GEADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]CC[C@@H]2CCCCO2)s1 ZINC000871938234 654285061 /nfs/dbraw/zinc/28/50/61/654285061.db2.gz QDGHOBGDZKKTLH-QMMMGPOBSA-N -2 3 398.300 2.446 20 0 GEADHL C[C@@H]([N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br)[C@H]1CCCOC1 ZINC000871937959 654285221 /nfs/dbraw/zinc/28/52/21/654285221.db2.gz ZYFVYPDFAFBDGH-SFYZADRCSA-N -2 3 398.300 2.302 20 0 GEADHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Br)c1)C(F)(F)F ZINC000871963668 654292678 /nfs/dbraw/zinc/29/26/78/654292678.db2.gz PRMFOOOWZZQSJL-RXMQYKEDSA-N -2 3 376.150 2.376 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCNc2ccccc2)c(Br)o1 ZINC000833304504 654304985 /nfs/dbraw/zinc/30/49/85/654304985.db2.gz NKGAEJQMRDXFJI-UHFFFAOYSA-N -2 3 389.227 2.131 20 0 GEADHL CSC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000906005016 654399929 /nfs/dbraw/zinc/39/99/29/654399929.db2.gz MFXCTBYTIQYUDB-MRVPVSSYSA-N -2 3 377.793 2.453 20 0 GEADHL O=C([O-])[C@@H]1C[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)[C@H]2C[C@H]21 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KNOOOEUVPOEMQE-NEPJUHHUSA-N -2 3 377.260 2.156 20 0 GEADHL O=C(NCCNC(=O)c1ccc(Br)c([O-])c1)c1ccc([O-])cc1 ZINC000133150982 532227574 /nfs/dbraw/zinc/22/75/74/532227574.db2.gz JLLAFRYVBCSODK-UHFFFAOYSA-N -2 3 379.210 2.020 20 0 GEADHL CC[N-]S(=O)(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000137260371 532289542 /nfs/dbraw/zinc/28/95/42/532289542.db2.gz IFMYEQPTVLXZLS-UHFFFAOYSA-N -2 3 394.396 2.203 20 0 GEADHL Cc1cnc(C[N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2C)o1 ZINC000185038657 532336718 /nfs/dbraw/zinc/33/67/18/532336718.db2.gz FUOVAZHOTIBQNR-UHFFFAOYSA-N -2 3 389.227 2.231 20 0 GEADHL Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H](c2cccs2)N(C)C)cc1C(=O)[O-] ZINC000184873111 532335146 /nfs/dbraw/zinc/33/51/46/532335146.db2.gz JVSMOBGTGWQMOA-ZDUSSCGKSA-N -2 3 386.470 2.475 20 0 GEADHL C[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)N1CCC(C)CC1 ZINC000184966269 532336380 /nfs/dbraw/zinc/33/63/80/532336380.db2.gz HLMWBLFVPCSTTR-NSHDSACASA-N -2 3 376.425 2.062 20 0 GEADHL CO[C@H](CS(=O)(=O)[N-]c1cc(Br)ccc1[O-])C1CCOCC1 ZINC000647128255 532367771 /nfs/dbraw/zinc/36/77/71/532367771.db2.gz XEHAECWYQHBBFY-CQSZACIVSA-N -2 3 394.287 2.338 20 0 GEADHL O=C(Nc1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1F)c1ncccc1[O-] ZINC000427463607 532425176 /nfs/dbraw/zinc/42/51/76/532425176.db2.gz GFQISZIJTXWGIS-UHFFFAOYSA-N -2 3 385.804 2.273 20 0 GEADHL CC(C)c1nc(S(=O)(=O)[N-]C[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])c[nH]1 ZINC000681572470 532431607 /nfs/dbraw/zinc/43/16/07/532431607.db2.gz YEDNVCWSEGBLQK-LBPRGKRZSA-N -2 3 385.873 2.408 20 0 GEADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CC1(OC)CCC1)C(=O)[O-] ZINC000650433354 532447250 /nfs/dbraw/zinc/44/72/50/532447250.db2.gz XVPPZZVQNXCMNI-LLVKDONJSA-N -2 3 377.846 2.039 20 0 GEADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cccc2c1OCCCO2)c1cccs1 ZINC000650437418 532448252 /nfs/dbraw/zinc/44/82/52/532448252.db2.gz HEBLAXUNYLSEHM-NSHDSACASA-N -2 3 383.447 2.404 20 0 GEADHL CN(C)c1ccccc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000518860922 532448319 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3 380.647 2.410 20 0 GEADHL C[N-]S(=O)(=O)c1ccc(CN=c2[n-]c(-c3cccc(Cl)c3)no2)s1 ZINC000593994125 532504779 /nfs/dbraw/zinc/50/47/79/532504779.db2.gz DGUPTCKIGRXSGW-UHFFFAOYSA-N -2 3 384.870 2.394 20 0 GEADHL O=C([O-])C1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000238033460 532514988 /nfs/dbraw/zinc/51/49/88/532514988.db2.gz QTZKHYBZTCMKPE-UHFFFAOYSA-N -2 3 379.210 2.227 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)[C@H]1CCCO1 ZINC000630421342 532518622 /nfs/dbraw/zinc/51/86/22/532518622.db2.gz DUKLTCFYRKVJPE-KCJUWKMLSA-N -2 3 398.662 2.013 20 0 GEADHL CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000564855537 532536202 /nfs/dbraw/zinc/53/62/02/532536202.db2.gz FLNIUTYJTHPACY-VFZGTOFNSA-N -2 3 388.873 2.248 20 0 GEADHL C[C@H](CC[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)CC(=O)[O-] ZINC000296943864 532556579 /nfs/dbraw/zinc/55/65/79/532556579.db2.gz MOTBPOUZRVCDLZ-SSDOTTSWSA-N -2 3 385.667 2.277 20 0 GEADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F)C(F)(F)F 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GEADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000316173056 532783187 /nfs/dbraw/zinc/78/31/87/532783187.db2.gz SBOCDNMCDISLCL-WDEREUQCSA-N -2 3 392.271 2.379 20 0 GEADHL Cc1ccncc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1 ZINC000269673861 532786083 /nfs/dbraw/zinc/78/60/83/532786083.db2.gz OWINWICIOKQWLD-UHFFFAOYSA-N -2 3 387.458 2.480 20 0 GEADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C1CCOCC1 ZINC000547614491 532787279 /nfs/dbraw/zinc/78/72/79/532787279.db2.gz FJSSJGFFQOMINU-GFCCVEGCSA-N -2 3 381.372 2.254 20 0 GEADHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000548222486 532789621 /nfs/dbraw/zinc/78/96/21/532789621.db2.gz DABROKKPRUURJP-SECBINFHSA-N -2 3 392.271 2.163 20 0 GEADHL CCOC[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC)C(C)C ZINC000325925262 532789947 /nfs/dbraw/zinc/78/99/47/532789947.db2.gz DTZLNDBYHMQQFV-GFCCVEGCSA-N -2 3 379.862 2.386 20 0 GEADHL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1F ZINC000327145262 532791421 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396.234 2.132 20 0 GEADHL CC[C@@H](C)N(C)CC[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000273726699 532832678 /nfs/dbraw/zinc/83/26/78/532832678.db2.gz RFVBNPLTQBOFNW-MRVPVSSYSA-N -2 3 399.332 2.217 20 0 GEADHL C[C@H]1C[C@@H](C[N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)CCO1 ZINC000273681167 532831162 /nfs/dbraw/zinc/83/11/62/532831162.db2.gz HKJQLIMTGWWMOL-YUMQZZPRSA-N -2 3 398.300 2.302 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCCSC2)c(Br)cc1F ZINC000273746351 532833070 /nfs/dbraw/zinc/83/30/70/532833070.db2.gz PGWVCGFGTBBRPF-ZETCQYMHSA-N -2 3 398.275 2.460 20 0 GEADHL CSCC[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F)C(=O)[O-] ZINC000274912785 532859458 /nfs/dbraw/zinc/85/94/58/532859458.db2.gz LBOHCRXJEKCQHO-VIFPVBQESA-N -2 3 375.365 2.329 20 0 GEADHL CCC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)C(=O)[O-] ZINC000274919571 532859824 /nfs/dbraw/zinc/85/98/24/532859824.db2.gz ANFIIKJFBXPPBI-LLVKDONJSA-N -2 3 398.662 2.203 20 0 GEADHL O=C([O-])[C@H](CN1CCCCC1)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000274947545 532859998 /nfs/dbraw/zinc/85/99/98/532859998.db2.gz HMIQNHLBQFECLJ-QMMMGPOBSA-N -2 3 387.310 2.272 20 0 GEADHL COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H](CCC(C)(C)C)C(=O)[O-] ZINC000417443645 532879977 /nfs/dbraw/zinc/87/99/77/532879977.db2.gz ZCKXVEPQJAFUAK-SNVBAGLBSA-N -2 3 377.484 2.401 20 0 GEADHL CCO[C@@H]1C[C@]([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)(C(=O)[O-])C1(C)C ZINC000275620554 532879832 /nfs/dbraw/zinc/87/98/32/532879832.db2.gz LAXNDMMGNATEKM-DOMZBBRYSA-N -2 3 379.837 2.416 20 0 GEADHL O=C([O-])[C@@H](CC(F)F)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000276929857 532903578 /nfs/dbraw/zinc/90/35/78/532903578.db2.gz QSTZQHQWANRYQS-ZCFIWIBFSA-N -2 3 392.605 2.489 20 0 GEADHL O=C([O-])c1csc(S(=O)(=O)[N-]C[C@H]2CCN(c3ccccc3F)C2)c1 ZINC000292790508 532918679 /nfs/dbraw/zinc/91/86/79/532918679.db2.gz XZFXTIOVOZQEBF-LLVKDONJSA-N -2 3 384.454 2.390 20 0 GEADHL CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])ccc1C ZINC000670372475 450595726 /nfs/dbraw/zinc/59/57/26/450595726.db2.gz RZWNJXHWBMJJAW-UHFFFAOYSA-N -2 3 390.870 2.063 20 0 GEADHL CN(C)c1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000736777801 598890440 /nfs/dbraw/zinc/89/04/40/598890440.db2.gz CTIWKWUVKIPBJE-UHFFFAOYSA-N -2 3 378.845 2.387 20 0 GEADHL CN(C)c1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000736777801 598890442 /nfs/dbraw/zinc/89/04/42/598890442.db2.gz CTIWKWUVKIPBJE-UHFFFAOYSA-N -2 3 378.845 2.387 20 0 GEADHL CN1CCCc2cc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3F)ccc21 ZINC000736855973 598909653 /nfs/dbraw/zinc/90/96/53/598909653.db2.gz HRCLDSWHYMQDOM-UHFFFAOYSA-N -2 3 388.428 2.189 20 0 GEADHL CN1CCCc2cc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3F)ccc21 ZINC000736855973 598909655 /nfs/dbraw/zinc/90/96/55/598909655.db2.gz HRCLDSWHYMQDOM-UHFFFAOYSA-N -2 3 388.428 2.189 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1ccn(Cc2ccccc2)n1 ZINC000737301419 598930211 /nfs/dbraw/zinc/93/02/11/598930211.db2.gz MODLBFVKUOKNQQ-UHFFFAOYSA-N -2 3 395.448 2.221 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccn(Cc2ccccc2)n1 ZINC000737301419 598930213 /nfs/dbraw/zinc/93/02/13/598930213.db2.gz MODLBFVKUOKNQQ-UHFFFAOYSA-N -2 3 395.448 2.221 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2c(Cl)nc3sccn32)cccc1-c1nn[n-]n1 ZINC000822122371 607255099 /nfs/dbraw/zinc/25/50/99/607255099.db2.gz LHOQKFDIWQLOOW-UHFFFAOYSA-N -2 3 395.857 2.339 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2c(Cl)nc3ccccn32)cccc1-c1nn[n-]n1 ZINC000822122388 607255144 /nfs/dbraw/zinc/25/51/44/607255144.db2.gz LOFBWSCHBAZYQJ-UHFFFAOYSA-N -2 3 389.828 2.277 20 0 GEADHL Cc1ccc(Cn2nccc2[N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)o1 ZINC000737343703 598968983 /nfs/dbraw/zinc/96/89/83/598968983.db2.gz UDIOXBDKBQHCPW-UHFFFAOYSA-N -2 3 399.436 2.122 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1cccc2ccccc21 ZINC000737297528 598974438 /nfs/dbraw/zinc/97/44/38/598974438.db2.gz AYIBDLOLIZNONQ-UHFFFAOYSA-N -2 3 393.428 2.447 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1cccc2ccccc21 ZINC000737297528 598974439 /nfs/dbraw/zinc/97/44/39/598974439.db2.gz AYIBDLOLIZNONQ-UHFFFAOYSA-N -2 3 393.428 2.447 20 0 GEADHL CSc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)nc1 ZINC000737191639 599192814 /nfs/dbraw/zinc/19/28/14/599192814.db2.gz SWDPUXMQKRNVRI-UHFFFAOYSA-N -2 3 382.858 2.438 20 0 GEADHL CSc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)nc1 ZINC000737191639 599192816 /nfs/dbraw/zinc/19/28/16/599192816.db2.gz SWDPUXMQKRNVRI-UHFFFAOYSA-N -2 3 382.858 2.438 20 0 GEADHL CCOC(=O)c1sc2[n-]c([C@@H](C)N3CCC(C(=O)[O-])CC3)nc(=O)c2c1C ZINC000739485827 596925265 /nfs/dbraw/zinc/92/52/65/596925265.db2.gz YMASEKQUBRPBSZ-SNVBAGLBSA-N -2 3 393.465 2.327 20 0 GEADHL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(-c4nn[n-]n4)cn3)cc(Cl)c2O1 ZINC000820814243 599230451 /nfs/dbraw/zinc/23/04/51/599230451.db2.gz UAOGRULGWRGSLT-MRVPVSSYSA-N -2 3 392.828 2.039 20 0 GEADHL O=S(=O)(Cc1cccc(C(F)(F)F)c1)[N-]c1ccc(-c2nn[n-]n2)cn1 ZINC000823566617 599232271 /nfs/dbraw/zinc/23/22/71/599232271.db2.gz JPEOIVJKUZTAHU-UHFFFAOYSA-N -2 3 384.343 2.222 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccnn1-c1ccccc1 ZINC000822223924 599234402 /nfs/dbraw/zinc/23/44/02/599234402.db2.gz PKTZEGMEVURWRS-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL O=S(=O)([N-]c1ccc(F)cc1OC(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000738342879 599237538 /nfs/dbraw/zinc/23/75/38/599237538.db2.gz RVMANQBCOOIDKH-UHFFFAOYSA-N -2 3 385.327 2.408 20 0 GEADHL O=S(=O)([N-]c1ccc(F)cc1OC(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000738342879 599237539 /nfs/dbraw/zinc/23/75/39/599237539.db2.gz RVMANQBCOOIDKH-UHFFFAOYSA-N -2 3 385.327 2.408 20 0 GEADHL COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CCCC(=O)[O-] ZINC000037417936 597311200 /nfs/dbraw/zinc/31/12/00/597311200.db2.gz ACDCBFZBZSAVFT-UHFFFAOYSA-N -2 3 386.651 2.254 20 0 GEADHL O=C([O-])c1ccc(CS(=O)(=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000821545623 597411363 /nfs/dbraw/zinc/41/13/63/597411363.db2.gz JSLSWFIYASJJNG-UHFFFAOYSA-N -2 3 376.312 2.014 20 0 GEADHL C[C@@H](NC(=O)c1nn(-c2ccccc2F)cc1[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000736124736 598256737 /nfs/dbraw/zinc/25/67/37/598256737.db2.gz HRDQROWMZIEIAB-LLVKDONJSA-N -2 3 393.382 2.388 20 0 GEADHL CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000736648116 598283099 /nfs/dbraw/zinc/28/30/99/598283099.db2.gz XWXHVFWDEWLZNG-UHFFFAOYSA-N -2 3 375.410 2.075 20 0 GEADHL CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000736648116 598283100 /nfs/dbraw/zinc/28/31/00/598283100.db2.gz XWXHVFWDEWLZNG-UHFFFAOYSA-N -2 3 375.410 2.075 20 0 GEADHL Cc1c(Br)cccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737202618 598381693 /nfs/dbraw/zinc/38/16/93/598381693.db2.gz NXRZKJLQGQMIAC-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL Cc1c(Br)cccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737202618 598381695 /nfs/dbraw/zinc/38/16/95/598381695.db2.gz NXRZKJLQGQMIAC-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL O=C(C=Cc1ccccc1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737803034 598415527 /nfs/dbraw/zinc/41/55/27/598415527.db2.gz ZWGBYPKYIOXFRY-TWGQIWQCSA-N -2 3 389.824 2.038 20 0 GEADHL O=C(C=Cc1ccccc1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737803034 598415528 /nfs/dbraw/zinc/41/55/28/598415528.db2.gz ZWGBYPKYIOXFRY-TWGQIWQCSA-N -2 3 389.824 2.038 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)n(-c2ccccc2C)n1 ZINC000737281640 598438192 /nfs/dbraw/zinc/43/81/92/598438192.db2.gz VCBVYRVTCRTNRB-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)n(-c2ccccc2C)n1 ZINC000737281640 598438194 /nfs/dbraw/zinc/43/81/94/598438194.db2.gz VCBVYRVTCRTNRB-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n(-c2ccccc2C)n1 ZINC000737281142 598438396 /nfs/dbraw/zinc/43/83/96/598438396.db2.gz QIMFSNQPGPALMR-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n(-c2ccccc2C)n1 ZINC000737281142 598438398 /nfs/dbraw/zinc/43/83/98/598438398.db2.gz QIMFSNQPGPALMR-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL O=C(C[C@H]1CCCc2ccccc21)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737818916 598516521 /nfs/dbraw/zinc/51/65/21/598516521.db2.gz GCWSNHKYMCASEQ-OAHLLOKOSA-N -2 3 397.460 2.182 20 0 GEADHL O=C(C[C@H]1CCCc2ccccc21)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737818916 598516522 /nfs/dbraw/zinc/51/65/22/598516522.db2.gz GCWSNHKYMCASEQ-OAHLLOKOSA-N -2 3 397.460 2.182 20 0 GEADHL CCN(c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cc1)C(C)C ZINC000736564227 598606921 /nfs/dbraw/zinc/60/69/21/598606921.db2.gz AXAWNUNCNKQOFF-UHFFFAOYSA-N -2 3 387.469 2.297 20 0 GEADHL O=C(Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1)c1cc(=O)[nH][n-]1 ZINC000738301154 598719442 /nfs/dbraw/zinc/71/94/42/598719442.db2.gz LKQBDEGBKIOUSP-UHFFFAOYSA-N -2 3 397.782 2.127 20 0 GEADHL Cc1sc(NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)c(-c2nn[n-]n2)c1C ZINC000737487276 598808011 /nfs/dbraw/zinc/80/80/11/598808011.db2.gz HDNRBLYVISDHKP-UHFFFAOYSA-N -2 3 398.452 2.091 20 0 GEADHL CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000736823319 598814354 /nfs/dbraw/zinc/81/43/54/598814354.db2.gz WJMVFBALJXBSJQ-UHFFFAOYSA-N -2 3 393.382 2.169 20 0 GEADHL C[C@@H](NC(=O)CC1(C(=O)[O-])Cc2ccccc2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820323714 599298958 /nfs/dbraw/zinc/29/89/58/599298958.db2.gz YUEKHEITKMCZHW-CYBMUJFWSA-N -2 3 391.431 2.304 20 0 GEADHL C[C@@H](NC(=O)CC1(C(=O)[O-])Cc2ccccc2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820323714 599298961 /nfs/dbraw/zinc/29/89/61/599298961.db2.gz YUEKHEITKMCZHW-CYBMUJFWSA-N -2 3 391.431 2.304 20 0 GEADHL CCc1ccc([C@H](C)CC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736690882 599618250 /nfs/dbraw/zinc/61/82/50/599618250.db2.gz WKOGNDPGOVVCQN-CYBMUJFWSA-N -2 3 399.476 2.428 20 0 GEADHL CCc1ccc([C@H](C)CC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736690882 599618252 /nfs/dbraw/zinc/61/82/52/599618252.db2.gz WKOGNDPGOVVCQN-CYBMUJFWSA-N -2 3 399.476 2.428 20 0 GEADHL CC(C)[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000820016503 599619449 /nfs/dbraw/zinc/61/94/49/599619449.db2.gz NFCZMMDITIVSDN-KRWDZBQOSA-N -2 3 399.476 2.253 20 0 GEADHL CC(C)[C@H](C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000820016503 599619450 /nfs/dbraw/zinc/61/94/50/599619450.db2.gz NFCZMMDITIVSDN-KRWDZBQOSA-N -2 3 399.476 2.253 20 0 GEADHL CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821051052 599619932 /nfs/dbraw/zinc/61/99/32/599619932.db2.gz XHRLKROFTWMCAP-CYBMUJFWSA-N -2 3 379.486 2.419 20 0 GEADHL CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821051052 599619933 /nfs/dbraw/zinc/61/99/33/599619933.db2.gz XHRLKROFTWMCAP-CYBMUJFWSA-N -2 3 379.486 2.419 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000822222606 599624676 /nfs/dbraw/zinc/62/46/76/599624676.db2.gz NLQBPLIULLJBDG-HUUCEWRRSA-N -2 3 389.481 2.196 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000822222606 599624677 /nfs/dbraw/zinc/62/46/77/599624677.db2.gz NLQBPLIULLJBDG-HUUCEWRRSA-N -2 3 389.481 2.196 20 0 GEADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])cc1C(=O)[O-] ZINC000068075654 599746870 /nfs/dbraw/zinc/74/68/70/599746870.db2.gz VIEYAPAXOZHBPM-UHFFFAOYSA-N -3 3 383.353 2.422 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCc3nc(-c4ccccc4)ncc3C2)o1 ZINC000740175303 599773714 /nfs/dbraw/zinc/77/37/14/599773714.db2.gz MWQNPKITJHMNCK-AWEZNQCLSA-N -2 3 399.428 2.271 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCOc2ccc(Br)cc2)o1 ZINC000740176693 599775957 /nfs/dbraw/zinc/77/59/57/599775957.db2.gz RCSJJYBQOVNARC-UHFFFAOYSA-N -2 3 390.211 2.098 20 0 GEADHL CC[C@@](C)([N-]S(=O)(=O)c1cc(Br)cc(F)c1OC)C(=O)[O-] ZINC000736864806 599776733 /nfs/dbraw/zinc/77/67/33/599776733.db2.gz YGFDGVKUUZEPQA-GFCCVEGCSA-N -2 3 384.223 2.128 20 0 GEADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C(=O)[O-] ZINC000261637608 599797243 /nfs/dbraw/zinc/79/72/43/599797243.db2.gz FSVKNJAESGPAKS-CPFSXVBKSA-N -2 3 380.825 2.215 20 0 GEADHL O=C([O-])CSCC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000389450486 599895412 /nfs/dbraw/zinc/89/54/12/599895412.db2.gz SCBMWMGWQOPXKF-UHFFFAOYSA-N -2 3 377.793 2.455 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)NC2CCC(C(=O)[O-])CC2)cc1OC ZINC000263457562 600010755 /nfs/dbraw/zinc/01/07/55/600010755.db2.gz CNFRPQKKIKBYFS-UHFFFAOYSA-N -2 3 399.469 2.222 20 0 GEADHL COc1ccc([C@@H]([N-]C(=O)C(F)(F)Oc2ccc(C=O)cc2)C(=O)[O-])cc1 ZINC000737956697 600069291 /nfs/dbraw/zinc/06/92/91/600069291.db2.gz BTVPUDJGONNZIN-OAHLLOKOSA-N -2 3 379.315 2.421 20 0 GEADHL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(N2CCOCC2)cc1 ZINC000740143658 600093275 /nfs/dbraw/zinc/09/32/75/600093275.db2.gz JMUMVTKVHARSSI-UHFFFAOYSA-N -2 3 380.397 2.161 20 0 GEADHL COC(=O)c1cc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c(F)cc1F ZINC000737663801 600094169 /nfs/dbraw/zinc/09/41/69/600094169.db2.gz CKXIEMZTSGUQIN-UHFFFAOYSA-N -2 3 389.307 2.390 20 0 GEADHL O=C([O-])c1ccc2c(c1)CN(C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])C2 ZINC000740189583 600104202 /nfs/dbraw/zinc/10/42/02/600104202.db2.gz TWFJDJGVEUUSAP-QGZVFWFLSA-N -2 3 380.400 2.237 20 0 GEADHL CC(C)(O)COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000267186613 600246092 /nfs/dbraw/zinc/24/60/92/600246092.db2.gz COLBQADSSJNURJ-UHFFFAOYSA-N -2 3 395.433 2.101 20 0 GEADHL C[C@H]1CN(c2ccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)cc2)CCO1 ZINC000265648695 600256304 /nfs/dbraw/zinc/25/63/04/600256304.db2.gz UNSLUXRUCNBVAF-ZDUSSCGKSA-N -2 3 376.434 2.411 20 0 GEADHL Cc1cc(F)ccc1N1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000738402534 600323223 /nfs/dbraw/zinc/32/32/23/600323223.db2.gz WVXSPPXPJHIGLM-CYBMUJFWSA-N -2 3 382.413 2.373 20 0 GEADHL C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)c1nnc2ccccc2c1[O-] ZINC000736823370 600360768 /nfs/dbraw/zinc/36/07/68/600360768.db2.gz KZYHAIVBGYUIOP-CYBMUJFWSA-N -2 3 392.415 2.385 20 0 GEADHL CC(C)[C@](C)(CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736348615 600399966 /nfs/dbraw/zinc/39/99/66/600399966.db2.gz AWFQQVYHSBEPEA-INIZCTEOSA-N -2 3 390.458 2.196 20 0 GEADHL Cc1noc(COc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)cc2)n1 ZINC000510157150 600412312 /nfs/dbraw/zinc/41/23/12/600412312.db2.gz UWJQDPKIGJLHML-UHFFFAOYSA-N -2 3 389.389 2.456 20 0 GEADHL CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C(=O)NCc1ccc([O-])c(F)c1 ZINC000736487627 600509291 /nfs/dbraw/zinc/50/92/91/600509291.db2.gz MWDSEVUNNOFXNE-UHFFFAOYSA-N -2 3 390.367 2.272 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])o2)cc1Cl ZINC000548593740 600517597 /nfs/dbraw/zinc/51/75/97/600517597.db2.gz DGBSHJWIMMMKTP-UHFFFAOYSA-N -2 3 390.776 2.207 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])cc1C(=O)N(C)C ZINC000523730021 600612168 /nfs/dbraw/zinc/61/21/68/600612168.db2.gz ZRWUPMKLFCAPIM-UHFFFAOYSA-N -2 3 392.433 2.204 20 0 GEADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F)[C@@H]1CCCO1 ZINC000736665794 600632535 /nfs/dbraw/zinc/63/25/35/600632535.db2.gz ZGRNSFUHDJKIMK-HQJQHLMTSA-N -2 3 396.234 2.132 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2nccs2)c(F)cc1Br ZINC000740088575 600633226 /nfs/dbraw/zinc/63/32/26/600633226.db2.gz ZQUCUCAZXFMKLB-UHFFFAOYSA-N -2 3 395.231 2.221 20 0 GEADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)Cc1cccc(F)c1 ZINC000833164767 600741581 /nfs/dbraw/zinc/74/15/81/600741581.db2.gz YSHXIDUFOCUFQT-JTQLQIEISA-N -2 3 391.342 2.465 20 0 GEADHL CCNC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000506711980 600888006 /nfs/dbraw/zinc/88/80/06/600888006.db2.gz WJWYBYANIFTCRL-UHFFFAOYSA-N -2 3 392.433 2.009 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(F)c2)ccc1C(=O)[O-] ZINC000285108374 600892703 /nfs/dbraw/zinc/89/27/03/600892703.db2.gz MJSJESAMTKOJHD-UHFFFAOYSA-N -2 3 394.424 2.470 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@@H](c2nccn2C)c2ccccc2F)cc1C(=O)[O-] ZINC000833028857 601215672 /nfs/dbraw/zinc/21/56/72/601215672.db2.gz QYXJWYZGSIMDFT-OAHLLOKOSA-N -2 3 393.396 2.227 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2ccc(N3CCOC3=O)cc2)cc1C(=O)[O-] ZINC000833029189 601219696 /nfs/dbraw/zinc/21/96/96/601219696.db2.gz ZBUUTFZUBDPTGR-SNVBAGLBSA-N -2 3 394.405 2.282 20 0 GEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000274932496 601224684 /nfs/dbraw/zinc/22/46/84/601224684.db2.gz CPUUUUFSZKBEAR-QMTHXVAHSA-N -2 3 383.447 2.275 20 0 GEADHL COC(=O)C1([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCCCCC1 ZINC000831095061 601230621 /nfs/dbraw/zinc/23/06/21/601230621.db2.gz ZLXIWDMHJYGGTI-UHFFFAOYSA-N -2 3 391.392 2.207 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCOc2ccc(F)cc2)c1F ZINC000833293998 601230633 /nfs/dbraw/zinc/23/06/33/601230633.db2.gz KOUZXVANVFPGKQ-UHFFFAOYSA-N -2 3 375.324 2.159 20 0 GEADHL Cc1nc(C)c(CC[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)s1 ZINC000832995435 601236458 /nfs/dbraw/zinc/23/64/58/601236458.db2.gz YVHCCPLIJHSDIL-UHFFFAOYSA-N -2 3 376.406 2.257 20 0 GEADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(OCCC(N)=O)cc2)c1C ZINC000614809484 601323271 /nfs/dbraw/zinc/32/32/71/601323271.db2.gz OYPCPHBNJSKPEE-UHFFFAOYSA-N -2 3 392.433 2.057 20 0 GEADHL C/C(=C\COC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000825759018 601411544 /nfs/dbraw/zinc/41/15/44/601411544.db2.gz VBQMISCZKPCLKB-RMKNXTFCSA-N -2 3 396.248 2.236 20 0 GEADHL CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000828637976 601469889 /nfs/dbraw/zinc/46/98/89/601469889.db2.gz BRDFTYQZJMVIGF-KRWDZBQOSA-N -2 3 388.461 2.276 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCN(c3c(F)cccc3F)C2)cc1C(=O)[O-] ZINC000573115735 601587099 /nfs/dbraw/zinc/58/70/99/601587099.db2.gz KSMQALLJXBWRIV-JTQLQIEISA-N -2 3 386.376 2.122 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CC2)c(Cl)cc1Cl ZINC000776574061 601613222 /nfs/dbraw/zinc/61/32/22/601613222.db2.gz INRAUUMDHUDFKT-NSHDSACASA-N -2 3 396.248 2.312 20 0 GEADHL CCOc1ccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1OC ZINC000825643801 607533885 /nfs/dbraw/zinc/53/38/85/607533885.db2.gz VMSRGNOTTAGIJW-UHFFFAOYSA-N -2 3 389.437 2.383 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)cc2)c1-c1nn[n-]n1 ZINC000826303804 607534448 /nfs/dbraw/zinc/53/44/48/607534448.db2.gz GKEOMBBWJHVLPM-UHFFFAOYSA-N -2 3 398.448 2.324 20 0 GEADHL CCOC(=O)c1sc2[n-]c([C@H](C)N3CC[C@@](C)(C(=O)[O-])C3)nc(=O)c2c1C ZINC000829901742 601948602 /nfs/dbraw/zinc/94/86/02/601948602.db2.gz QYXHKJNBULSXQJ-XTZNXHDOSA-N -2 3 393.465 2.327 20 0 GEADHL O=C([O-])Cc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1 ZINC000738623008 602071547 /nfs/dbraw/zinc/07/15/47/602071547.db2.gz ZQCJRESBADBYDV-UHFFFAOYSA-N -2 3 392.408 2.146 20 0 GEADHL Cc1ccn(C)c(=O)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000755256480 602121358 /nfs/dbraw/zinc/12/13/58/602121358.db2.gz IJUIQFWIQOLLCS-UHFFFAOYSA-N -2 3 391.232 2.500 20 0 GEADHL CC(C)(C)c1nnc(C[N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)s1 ZINC000582299143 602121481 /nfs/dbraw/zinc/12/14/81/602121481.db2.gz VZGMHAYYSNBSMD-UHFFFAOYSA-N -2 3 399.494 2.168 20 0 GEADHL CCC[C@](C)(NC(=O)[O-])C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000739300423 602133663 /nfs/dbraw/zinc/13/36/63/602133663.db2.gz IHEHVOIILFGFBW-INIZCTEOSA-N -2 3 387.458 2.222 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CC2(Cl)Cl)c(Br)o1 ZINC000833303372 602143268 /nfs/dbraw/zinc/14/32/68/602143268.db2.gz IAPANXMDLVPAGT-SCSAIBSYSA-N -2 3 393.042 2.212 20 0 GEADHL Cc1ccc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)o1 ZINC000832930125 602146220 /nfs/dbraw/zinc/14/62/20/602146220.db2.gz IVIPMEGAQNKTDU-UHFFFAOYSA-N -2 3 378.200 2.163 20 0 GEADHL C[C@@H](CCC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824400150 607559081 /nfs/dbraw/zinc/55/90/81/607559081.db2.gz AXMBWLXLCVDURG-ZDUSSCGKSA-N -2 3 385.449 2.256 20 0 GEADHL C[C@@H](CCC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824400150 607559082 /nfs/dbraw/zinc/55/90/82/607559082.db2.gz AXMBWLXLCVDURG-ZDUSSCGKSA-N -2 3 385.449 2.256 20 0 GEADHL C[C@H](CCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)NC(=O)[O-] ZINC000738902301 602733235 /nfs/dbraw/zinc/73/32/35/602733235.db2.gz BPXXXQOHCNEYMG-MRVPVSSYSA-N -2 3 382.214 2.067 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)CCC(C)(C)NC(=O)[O-])cc1OC ZINC000739515554 602825770 /nfs/dbraw/zinc/82/57/70/602825770.db2.gz NNLDMIRQFTUZGX-UHFFFAOYSA-N -2 3 387.458 2.222 20 0 GEADHL CN(Cc1ccccc1NC(=O)NCCNC(=O)c1ccc([O-])cc1)C(=O)[O-] ZINC000739718989 603334866 /nfs/dbraw/zinc/33/48/66/603334866.db2.gz ZPMYJMOUVFMJLL-UHFFFAOYSA-N -2 3 386.408 2.054 20 0 GEADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])ccc1F ZINC000828579565 603755024 /nfs/dbraw/zinc/75/50/24/603755024.db2.gz NLXCVKFKFMOAJO-UHFFFAOYSA-N -2 3 393.396 2.027 20 0 GEADHL O=C([O-])N[C@@H]1CC[C@H](C(=O)Nc2cc(I)ccc2[O-])C1 ZINC000832288827 603887791 /nfs/dbraw/zinc/88/77/91/603887791.db2.gz WMVFJVBDQNGDQC-IONNQARKSA-N -2 3 390.177 2.372 20 0 GEADHL O=C([O-])NCCCC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000832605194 603910567 /nfs/dbraw/zinc/91/05/67/603910567.db2.gz LKKQKSWWSZWMLE-UHFFFAOYSA-N -2 3 383.832 2.271 20 0 GEADHL C[C@@H](C(=O)OCC(=O)[N-]C(=O)c1cccs1)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000823731377 604027631 /nfs/dbraw/zinc/02/76/31/604027631.db2.gz MAQDSJZSPWCZFD-IAQYHMDHSA-N -2 3 390.417 2.193 20 0 GEADHL O=S(=O)([N-]C1(c2cccc(-c3nn[n-]n3)c2)CC1)c1c(F)cc(F)cc1F ZINC000826487628 607692863 /nfs/dbraw/zinc/69/28/63/607692863.db2.gz UTEXFXAHXQKOKW-UHFFFAOYSA-N -2 3 395.366 2.252 20 0 GEADHL CC(C)N1CCN(c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)c2)CC1 ZINC000833499986 604510150 /nfs/dbraw/zinc/51/01/50/604510150.db2.gz SSKSEEOGFUGFCH-UHFFFAOYSA-N -2 3 393.465 2.309 20 0 GEADHL CCC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl)C(=O)[O-] ZINC000764917321 605012673 /nfs/dbraw/zinc/01/26/73/605012673.db2.gz QCTQBFSXXIFTPY-SNVBAGLBSA-N -2 3 384.237 2.312 20 0 GEADHL CC(C)C[C@@H](CCO)C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000833475031 605042383 /nfs/dbraw/zinc/04/23/83/605042383.db2.gz GRXCNYVJZRUNGM-SECBINFHSA-N -2 3 398.275 2.063 20 0 GEADHL CCc1nc(C2([N-]S(=O)(=O)c3cccc(C)c3C(=O)[O-])CCCC2)no1 ZINC000645961888 605042841 /nfs/dbraw/zinc/04/28/41/605042841.db2.gz KBRFPHVCEQAFJG-UHFFFAOYSA-N -2 3 379.438 2.386 20 0 GEADHL C[C@@H]([N-]S(=O)(=O)c1ccccc1C(=O)[O-])c1nc(Cc2ccccc2)no1 ZINC000833523461 605044802 /nfs/dbraw/zinc/04/48/02/605044802.db2.gz PKYKEBCHIWWUBZ-GFCCVEGCSA-N -2 3 387.417 2.398 20 0 GEADHL CC(C)(C)OC(=O)N(CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C1CC1 ZINC000833434342 605193741 /nfs/dbraw/zinc/19/37/41/605193741.db2.gz JKZLVUGOLVYWDO-UHFFFAOYSA-N -2 3 388.442 2.046 20 0 GEADHL CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833445046 605210998 /nfs/dbraw/zinc/21/09/98/605210998.db2.gz VYCBYRZPAAIPDI-CQSZACIVSA-N -2 3 395.433 2.209 20 0 GEADHL CC(C)[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Br)NC(=O)[O-] ZINC000824121916 605501557 /nfs/dbraw/zinc/50/15/57/605501557.db2.gz BCEVFDCLAATDHZ-JTQLQIEISA-N -2 3 383.239 2.159 20 0 GEADHL O=C([O-])N1CCC[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Br)C1 ZINC000831984641 605501931 /nfs/dbraw/zinc/50/19/31/605501931.db2.gz ARMHCAVVVFGTLE-SECBINFHSA-N -2 3 381.223 2.009 20 0 GEADHL Cc1cnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)s1 ZINC000822399141 606356604 /nfs/dbraw/zinc/35/66/04/606356604.db2.gz AJZAJUKZKSUTIE-UHFFFAOYSA-N -2 3 390.372 2.451 20 0 GEADHL Cc1cnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)s1 ZINC000822399141 606356606 /nfs/dbraw/zinc/35/66/06/606356606.db2.gz AJZAJUKZKSUTIE-UHFFFAOYSA-N -2 3 390.372 2.451 20 0 GEADHL CC(C)(C)c1nnc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)s1 ZINC000819971064 606468227 /nfs/dbraw/zinc/46/82/27/606468227.db2.gz COZGOABTTXEJRF-UHFFFAOYSA-N -2 3 399.889 2.470 20 0 GEADHL CC(C)(C)c1nnc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)s1 ZINC000819971064 606468228 /nfs/dbraw/zinc/46/82/28/606468228.db2.gz COZGOABTTXEJRF-UHFFFAOYSA-N -2 3 399.889 2.470 20 0 GEADHL CC(C)(C)c1nnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)s1 ZINC000819971905 606468385 /nfs/dbraw/zinc/46/83/85/606468385.db2.gz WVVUUDFUUXTWLQ-UHFFFAOYSA-N -2 3 399.889 2.470 20 0 GEADHL CC(C)(C)c1nnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)s1 ZINC000819971905 606468386 /nfs/dbraw/zinc/46/83/86/606468386.db2.gz WVVUUDFUUXTWLQ-UHFFFAOYSA-N -2 3 399.889 2.470 20 0 GEADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1nnc(-c2ccccc2)s1 ZINC000822151582 606636609 /nfs/dbraw/zinc/63/66/09/606636609.db2.gz CJAZZCDDCIFIBK-UHFFFAOYSA-N -2 3 399.461 2.494 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1nnc(-c2ccccc2)s1 ZINC000822151582 606636610 /nfs/dbraw/zinc/63/66/10/606636610.db2.gz CJAZZCDDCIFIBK-UHFFFAOYSA-N -2 3 399.461 2.494 20 0 GEADHL Cc1noc(C)c1[N-]S(=O)(=O)c1cc(Br)cc(-c2nnn[n-]2)c1 ZINC000822522667 606637635 /nfs/dbraw/zinc/63/76/35/606637635.db2.gz JCQWKIDEVQKBHU-UHFFFAOYSA-N -2 3 399.230 2.035 20 0 GEADHL Cc1noc(C)c1[N-]S(=O)(=O)c1cc(Br)cc(-c2nn[n-]n2)c1 ZINC000822522667 606637636 /nfs/dbraw/zinc/63/76/36/606637636.db2.gz JCQWKIDEVQKBHU-UHFFFAOYSA-N -2 3 399.230 2.035 20 0 GEADHL Cc1cc(F)cc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nnn[n-]2)c1 ZINC000822203024 606707733 /nfs/dbraw/zinc/70/77/33/606707733.db2.gz ADPMWGPWTPCXCC-UHFFFAOYSA-N -2 3 379.421 2.067 20 0 GEADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000821589420 606751335 /nfs/dbraw/zinc/75/13/35/606751335.db2.gz MSWZPYPVYUJLRG-UHFFFAOYSA-N -2 3 378.845 2.387 20 0 GEADHL Cc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1F ZINC000822284427 606760302 /nfs/dbraw/zinc/76/03/02/606760302.db2.gz RRPKSEIETKJVME-UHFFFAOYSA-N -2 3 395.803 2.086 20 0 GEADHL Cc1cccc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1F ZINC000822284427 606760304 /nfs/dbraw/zinc/76/03/04/606760304.db2.gz RRPKSEIETKJVME-UHFFFAOYSA-N -2 3 395.803 2.086 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]C(=O)c2cccc(-c3nnn[n-]3)c2)c(Cl)cc1F ZINC000822211818 606802648 /nfs/dbraw/zinc/80/26/48/606802648.db2.gz PPGIDIOWYPWQKA-UHFFFAOYSA-N -2 3 395.803 2.086 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]C(=O)c2cccc(-c3nn[n-]n3)c2)c(Cl)cc1F ZINC000822211818 606802650 /nfs/dbraw/zinc/80/26/50/606802650.db2.gz PPGIDIOWYPWQKA-UHFFFAOYSA-N -2 3 395.803 2.086 20 0 GEADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000821589651 606820303 /nfs/dbraw/zinc/82/03/03/606820303.db2.gz XKSQDWCINKJUSJ-UHFFFAOYSA-N -2 3 398.370 2.151 20 0 GEADHL COCc1ccccc1[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821695937 606865924 /nfs/dbraw/zinc/86/59/24/606865924.db2.gz NZRNSCZNJFOXCW-UHFFFAOYSA-N -2 3 381.364 2.092 20 0 GEADHL COCc1ccccc1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821695937 606865926 /nfs/dbraw/zinc/86/59/26/606865926.db2.gz NZRNSCZNJFOXCW-UHFFFAOYSA-N -2 3 381.364 2.092 20 0 GEADHL O=S(=O)([N-]Cc1ccc(Cl)s1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823578711 606885265 /nfs/dbraw/zinc/88/52/65/606885265.db2.gz UAQWKCNFCXVSHV-UHFFFAOYSA-N -2 3 391.812 2.338 20 0 GEADHL CS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000821949926 606892187 /nfs/dbraw/zinc/89/21/87/606892187.db2.gz JWHGZASNBIZRHR-UWVGGRQHSA-N -2 3 389.453 2.097 20 0 GEADHL Cc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)o1 ZINC000822236305 606894556 /nfs/dbraw/zinc/89/45/56/606894556.db2.gz SYTJVSJNULZEJW-SECBINFHSA-N -2 3 397.407 2.346 20 0 GEADHL O=S(=O)([N-]c1ccc2[nH]c(C3CCC3)nc2c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823589010 606952580 /nfs/dbraw/zinc/95/25/80/606952580.db2.gz HUEHLORUOKNPBM-UHFFFAOYSA-N -2 3 396.436 2.206 20 0 GEADHL O=C([O-])c1cccc(F)c1NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823391766 607022292 /nfs/dbraw/zinc/02/22/92/607022292.db2.gz DQWPAVWEBAGHJY-UHFFFAOYSA-N -2 3 397.775 2.158 20 0 GEADHL Cc1cc(Cl)ccc1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000822202353 607078484 /nfs/dbraw/zinc/07/84/84/607078484.db2.gz WKDMGFCMFGFOCC-UHFFFAOYSA-N -2 3 391.840 2.088 20 0 GEADHL Cc1cc(Cl)ccc1C(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000822202353 607078486 /nfs/dbraw/zinc/07/84/86/607078486.db2.gz WKDMGFCMFGFOCC-UHFFFAOYSA-N -2 3 391.840 2.088 20 0 GEADHL C[C@H]1CC[C@@H](CC(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000820683876 607096508 /nfs/dbraw/zinc/09/65/08/607096508.db2.gz IQNLJFRZGCRREX-VHSXEESVSA-N -2 3 383.861 2.151 20 0 GEADHL C[C@H]1CC[C@@H](CC(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000820683876 607096509 /nfs/dbraw/zinc/09/65/09/607096509.db2.gz IQNLJFRZGCRREX-VHSXEESVSA-N -2 3 383.861 2.151 20 0 GEADHL CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000820155224 607102621 /nfs/dbraw/zinc/10/26/21/607102621.db2.gz LFFOZBBPEQEECY-UHFFFAOYSA-N -2 3 397.391 2.370 20 0 GEADHL O=S(=O)([N-]c1cc(F)ccc1OC(F)F)c1cccc(-c2nnn[n-]2)c1 ZINC000823583337 607113528 /nfs/dbraw/zinc/11/35/28/607113528.db2.gz NPNAEYWYZVNRCP-UHFFFAOYSA-N -2 3 385.327 2.408 20 0 GEADHL O=S(=O)([N-]c1cc(F)ccc1OC(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000823583337 607113529 /nfs/dbraw/zinc/11/35/29/607113529.db2.gz NPNAEYWYZVNRCP-UHFFFAOYSA-N -2 3 385.327 2.408 20 0 GEADHL Cc1noc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1C ZINC000822530600 607173114 /nfs/dbraw/zinc/17/31/14/607173114.db2.gz JECNJOBDCCHCFZ-UHFFFAOYSA-N -2 3 388.331 2.291 20 0 GEADHL Cc1noc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1C ZINC000822530600 607173115 /nfs/dbraw/zinc/17/31/15/607173115.db2.gz JECNJOBDCCHCFZ-UHFFFAOYSA-N -2 3 388.331 2.291 20 0 GEADHL CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nnn[n-]2)s1 ZINC000824135519 607780018 /nfs/dbraw/zinc/78/00/18/607780018.db2.gz GBQDBPWOLORRRA-UHFFFAOYSA-N -2 3 397.507 2.406 20 0 GEADHL CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)c2sccc2-c2nn[n-]n2)s1 ZINC000824135519 607780019 /nfs/dbraw/zinc/78/00/19/607780019.db2.gz GBQDBPWOLORRRA-UHFFFAOYSA-N -2 3 397.507 2.406 20 0 GEADHL Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826273793 607982917 /nfs/dbraw/zinc/98/29/17/607982917.db2.gz UPSJUHDJUNWFNT-UHFFFAOYSA-N -2 3 383.393 2.026 20 0 GEADHL Cc1ccc(-c2ncco2)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826273793 607982918 /nfs/dbraw/zinc/98/29/18/607982918.db2.gz UPSJUHDJUNWFNT-UHFFFAOYSA-N -2 3 383.393 2.026 20 0 GEADHL CCC(CC)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825096653 608075486 /nfs/dbraw/zinc/07/54/86/608075486.db2.gz PGPBFFVDUVFOAK-SECBINFHSA-N -2 3 385.877 2.397 20 0 GEADHL CCC(CC)[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825096653 608075487 /nfs/dbraw/zinc/07/54/87/608075487.db2.gz PGPBFFVDUVFOAK-SECBINFHSA-N -2 3 385.877 2.397 20 0 GEADHL CC[C@H](C)CCCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825060740 608141145 /nfs/dbraw/zinc/14/11/45/608141145.db2.gz RWHOONUANJTHAK-ZDUSSCGKSA-N -2 3 379.486 2.419 20 0 GEADHL CC[C@H](C)CCCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825060740 608141146 /nfs/dbraw/zinc/14/11/46/608141146.db2.gz RWHOONUANJTHAK-ZDUSSCGKSA-N -2 3 379.486 2.419 20 0 GEADHL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825759663 608266702 /nfs/dbraw/zinc/26/67/02/608266702.db2.gz MMSLMEJHEIXPFH-UHFFFAOYSA-N -2 3 395.876 2.179 20 0 GEADHL CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825759663 608266704 /nfs/dbraw/zinc/26/67/04/608266704.db2.gz MMSLMEJHEIXPFH-UHFFFAOYSA-N -2 3 395.876 2.179 20 0 GEADHL Cc1[n-]n(-c2ccccc2Cl)c(=O)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824858887 608493660 /nfs/dbraw/zinc/49/36/60/608493660.db2.gz MIUBTLYVSSJZJG-HNNXBMFYSA-N -2 3 395.810 2.498 20 0 GEADHL Cc1[n-]n(-c2ccccc2Cl)c(=O)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824858887 608493661 /nfs/dbraw/zinc/49/36/61/608493661.db2.gz MIUBTLYVSSJZJG-HNNXBMFYSA-N -2 3 395.810 2.498 20 0 GEADHL CC(C)c1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824214040 608493726 /nfs/dbraw/zinc/49/37/26/608493726.db2.gz DWLFXZGXEZVBOF-INIZCTEOSA-N -2 3 389.419 2.480 20 0 GEADHL CC(C)c1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824214040 608493727 /nfs/dbraw/zinc/49/37/27/608493727.db2.gz DWLFXZGXEZVBOF-INIZCTEOSA-N -2 3 389.419 2.480 20 0 GEADHL Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824859862 608493867 /nfs/dbraw/zinc/49/38/67/608493867.db2.gz RHVMRWAPYISKIC-KRWDZBQOSA-N -2 3 389.419 2.461 20 0 GEADHL Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824859862 608493868 /nfs/dbraw/zinc/49/38/68/608493868.db2.gz RHVMRWAPYISKIC-KRWDZBQOSA-N -2 3 389.419 2.461 20 0 GEADHL O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826456689 609290787 /nfs/dbraw/zinc/29/07/87/609290787.db2.gz SAVUYCYDDXCKGE-UHFFFAOYSA-N -2 3 383.755 2.116 20 0 GEADHL O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826456689 609290789 /nfs/dbraw/zinc/29/07/89/609290789.db2.gz SAVUYCYDDXCKGE-UHFFFAOYSA-N -2 3 383.755 2.116 20 0 GEADHL Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000826315958 609469960 /nfs/dbraw/zinc/46/99/60/609469960.db2.gz ZLDGOAXZLIAKOX-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826315958 609469964 /nfs/dbraw/zinc/46/99/64/609469964.db2.gz ZLDGOAXZLIAKOX-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL CC(C)(C)c1nc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)no1 ZINC000824142446 609521577 /nfs/dbraw/zinc/52/15/77/609521577.db2.gz SVRRRJDMSBYJPU-UHFFFAOYSA-N -2 3 383.821 2.001 20 0 GEADHL CC(C)(C)c1nc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)no1 ZINC000824142446 609521579 /nfs/dbraw/zinc/52/15/79/609521579.db2.gz SVRRRJDMSBYJPU-UHFFFAOYSA-N -2 3 383.821 2.001 20 0 GEADHL O=S(=O)([N-]c1ccc2c(c1)CCO2)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826493128 609526912 /nfs/dbraw/zinc/52/69/12/609526912.db2.gz VBFULAKKPJZJAI-UHFFFAOYSA-N -2 3 377.813 2.256 20 0 GEADHL CNC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1OC ZINC000507932974 650469988 /nfs/dbraw/zinc/46/99/88/650469988.db2.gz AXRNUZNGMHVPHC-UHFFFAOYSA-N -2 3 388.804 2.354 20 0 GEADHL CCC[C@H](NC(=O)c1c([O-])cnc2c(Br)cccc21)c1nnn[n-]1 ZINC000486784105 650721622 /nfs/dbraw/zinc/72/16/22/650721622.db2.gz WLQCTJBNSRDBTJ-JTQLQIEISA-N -2 3 391.229 2.487 20 0 GEADHL CCC[C@H](NC(=O)c1c([O-])cnc2c(Br)cccc21)c1nn[n-]n1 ZINC000486784105 650721623 /nfs/dbraw/zinc/72/16/23/650721623.db2.gz WLQCTJBNSRDBTJ-JTQLQIEISA-N -2 3 391.229 2.487 20 0 GEADHL CC(C)CN(CC(=O)[O-])C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000532260269 650746980 /nfs/dbraw/zinc/74/69/80/650746980.db2.gz FFVNRBPGMMUORZ-UHFFFAOYSA-N -2 3 381.226 2.473 20 0 GEADHL Cc1csc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)n1 ZINC000038090801 642517031 /nfs/dbraw/zinc/51/70/31/642517031.db2.gz DKNUMCNVAWZQIN-UHFFFAOYSA-N -2 3 391.268 2.391 20 0 GEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1sccc1Br ZINC000103059382 643152197 /nfs/dbraw/zinc/15/21/97/643152197.db2.gz FTFRZJXDIUVVBY-UHFFFAOYSA-N -2 3 386.256 2.492 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccccc2OC)cc1F ZINC000498005407 650845291 /nfs/dbraw/zinc/84/52/91/650845291.db2.gz FOBMVDSPINRBJD-UHFFFAOYSA-N -2 3 388.442 2.397 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2O)cc1F ZINC000498020727 650845811 /nfs/dbraw/zinc/84/58/11/650845811.db2.gz RTFQCTMIDVISCN-UHFFFAOYSA-N -2 3 392.405 2.233 20 0 GEADHL C[C@@]1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CCCS1 ZINC000124180803 643682380 /nfs/dbraw/zinc/68/23/80/643682380.db2.gz GBFWDSGMWSEJBA-NSHDSACASA-N -2 3 384.273 2.304 20 0 GEADHL O=C([N-][N-]S(=O)(=O)c1ccc(Br)cc1)NCc1ccccc1 ZINC000189127861 645133543 /nfs/dbraw/zinc/13/35/43/645133543.db2.gz VXPHABMXBRUWRH-UHFFFAOYSA-N -2 3 384.255 2.142 20 0 GEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccsc2)c1 ZINC000547541671 651030113 /nfs/dbraw/zinc/03/01/13/651030113.db2.gz CRQAEEWEKNERBF-JTQLQIEISA-N -2 3 375.449 2.091 20 0 GEADHL CCCSC[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000547582786 651035392 /nfs/dbraw/zinc/03/53/92/651035392.db2.gz XLPQYXPTVCIAAQ-ZETCQYMHSA-N -2 3 388.330 2.385 20 0 GEADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@](C)(CO)CC(=O)[O-] ZINC000548030582 651061604 /nfs/dbraw/zinc/06/16/04/651061604.db2.gz KVYIPPUXSYOVPC-OAHLLOKOSA-N -2 3 375.830 2.146 20 0 GEADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOCC2)c1Cl ZINC000274980754 646338227 /nfs/dbraw/zinc/33/82/27/646338227.db2.gz LOSFHIHXHPCAGB-UHFFFAOYSA-N -2 3 382.265 2.462 20 0 GEADHL COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(C)(C)C ZINC000275053611 646345128 /nfs/dbraw/zinc/34/51/28/646345128.db2.gz XPBMBZZJCBTQIS-JTQLQIEISA-N -2 3 375.418 2.028 20 0 GEADHL 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SSVMNWJAUVSWDT-GFCCVEGCSA-N -2 3 377.344 2.183 20 0 GEADHL Cc1cc2cccnc2c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)(F)F)c1 ZINC000671645371 532723020 /nfs/dbraw/zinc/72/30/20/532723020.db2.gz JWYSAWDMKGPLKY-NSHDSACASA-N -2 3 376.356 2.475 20 0 GEADHL COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000581357146 532754232 /nfs/dbraw/zinc/75/42/32/532754232.db2.gz DXVCZWYIZBNSLC-NEPJUHHUSA-N -2 3 381.431 2.126 20 0 GEADHL O=C([O-])c1csc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)n1 ZINC000581924113 532759124 /nfs/dbraw/zinc/75/91/24/532759124.db2.gz BENLCEFUMQZARL-UHFFFAOYSA-N -2 3 384.332 2.478 20 0 GEADHL O=C([O-])c1cn(CCCC[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)nn1 ZINC000583071684 532764590 /nfs/dbraw/zinc/76/45/90/532764590.db2.gz KFHOTDKIKQAVNA-UHFFFAOYSA-N -2 3 393.252 2.042 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2COc3ccccc32)c(Br)o1 ZINC000315457906 532782179 /nfs/dbraw/zinc/78/21/79/532782179.db2.gz SNHUNLXMPNJTSI-MRVPVSSYSA-N -2 3 388.195 2.152 20 0 GEADHL COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000317138257 532783984 /nfs/dbraw/zinc/78/39/84/532783984.db2.gz VBZDFNWICAGHSQ-TZMCWYRMSA-N -2 3 392.271 2.379 20 0 GEADHL COC(=O)C(C)(C)CS(=O)(=O)[N-]c1cc(Br)cc(C(=O)[O-])c1 ZINC000287216672 532787113 /nfs/dbraw/zinc/78/71/13/532787113.db2.gz MVDXSWCGHUZFRD-UHFFFAOYSA-N -2 3 394.243 2.088 20 0 GEADHL C[C@H]1CC[C@@](C[N-]S(=O)(=O)c2ccc(Br)cn2)(CC(=O)[O-])C1 ZINC000547569538 532787089 /nfs/dbraw/zinc/78/70/89/532787089.db2.gz MRHCRROQXXXQLR-HZMBPMFUSA-N -2 3 391.287 2.404 20 0 GEADHL CC[C@H](C[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)CC(=O)[O-] ZINC000547613479 532787645 /nfs/dbraw/zinc/78/76/45/532787645.db2.gz CPXKLLZKPYJKRX-VIFPVBQESA-N -2 3 380.825 2.217 20 0 GEADHL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1Cl ZINC000326956293 532791061 /nfs/dbraw/zinc/79/10/61/532791061.db2.gz BRSFQVQDAATOHF-UHFFFAOYSA-N -2 3 386.788 2.385 20 0 GEADHL COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C ZINC000327191800 532791853 /nfs/dbraw/zinc/79/18/53/532791853.db2.gz BDYPJAITTIRFSB-LBPRGKRZSA-N -2 3 375.443 2.098 20 0 GEADHL CCO[C@@H]1C[C@]([N-]S(=O)(=O)c2cccc(Cl)c2F)(C(=O)[O-])C1(C)C ZINC000548685193 532792973 /nfs/dbraw/zinc/79/29/73/532792973.db2.gz OINXDRFQBIGFRL-ABAIWWIYSA-N -2 3 379.837 2.416 20 0 GEADHL COc1ccc(OC)c(S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F)c1 ZINC000327937756 532793205 /nfs/dbraw/zinc/79/32/05/532793205.db2.gz QDERVQJDPFOFQG-SECBINFHSA-N -2 3 385.360 2.025 20 0 GEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@@](C)(CCC(C)(C)C)C(=O)[O-])c1 ZINC000551587717 532801039 /nfs/dbraw/zinc/80/10/39/532801039.db2.gz IEVUAAWRHRHSIZ-HNNXBMFYSA-N -2 3 377.484 2.483 20 0 GEADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccccc1-c1ccno1)C(F)(F)F ZINC000551914923 532802655 /nfs/dbraw/zinc/80/26/55/532802655.db2.gz AFIJAGJCWLVELO-SECBINFHSA-N -2 3 378.328 2.273 20 0 GEADHL CCc1coc([N-]C(=O)c2sccc2S(=O)(=O)[N-]c2cnn(C)c2)n1 ZINC000551957932 532802901 /nfs/dbraw/zinc/80/29/01/532802901.db2.gz VYZBPQMMDRBPSZ-UHFFFAOYSA-N -2 3 381.439 2.085 20 0 GEADHL C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)CCO1 ZINC000273680034 532830709 /nfs/dbraw/zinc/83/07/09/532830709.db2.gz HKJQLIMTGWWMOL-SFYZADRCSA-N -2 3 398.300 2.302 20 0 GEADHL C[C@H]1C[C@H](C[N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)CCO1 ZINC000273680032 532831060 /nfs/dbraw/zinc/83/10/60/532831060.db2.gz HKJQLIMTGWWMOL-JGVFFNPUSA-N -2 3 398.300 2.302 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CSCCS2)c(Cl)cc1F ZINC000273703676 532831328 /nfs/dbraw/zinc/83/13/28/532831328.db2.gz NZXLTMBRGRXMRG-ZETCQYMHSA-N -2 3 385.891 2.304 20 0 GEADHL O=C([O-])[C@@H](CN1CCCCC1)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000274947615 532860106 /nfs/dbraw/zinc/86/01/06/532860106.db2.gz HNXINFCWLUGREA-LLVKDONJSA-N -2 3 381.281 2.211 20 0 GEADHL O=C([O-])[C@@H](CN1CCCCC1)[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000274947543 532860324 /nfs/dbraw/zinc/86/03/24/532860324.db2.gz HMIQNHLBQFECLJ-MRVPVSSYSA-N -2 3 387.310 2.272 20 0 GEADHL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]C(C)(C)C[C@H](C)C(=O)[O-] ZINC000275036212 532861643 /nfs/dbraw/zinc/86/16/43/532861643.db2.gz DFPLARJQPZOCNS-VIFPVBQESA-N -2 3 377.846 2.294 20 0 GEADHL COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(C)(C)C ZINC000275038294 532862323 /nfs/dbraw/zinc/86/23/23/532862323.db2.gz VAVDEHNCRWUSLC-SNVBAGLBSA-N -2 3 375.418 2.028 20 0 GEADHL O=C([O-])CCCN1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000275045378 532862197 /nfs/dbraw/zinc/86/21/97/532862197.db2.gz WGCZJVMPTZZBQG-UHFFFAOYSA-N -2 3 378.853 2.087 20 0 GEADHL COC(=O)[C@H](CN=c1nc(C(F)(F)F)[n-]s1)Cc1ccc([O-])c(F)c1 ZINC000420642233 532884817 /nfs/dbraw/zinc/88/48/17/532884817.db2.gz VMRLSLBSFLWFIL-QMMMGPOBSA-N -2 3 379.335 2.267 20 0 GEADHL COCc1nc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)cs1 ZINC000290734611 532888355 /nfs/dbraw/zinc/88/83/55/532888355.db2.gz WJDKKAPSHABRHS-UHFFFAOYSA-N -2 3 390.870 2.428 20 0 GEADHL CCn1ncc2ccc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3F)cc21 ZINC000736730920 598843451 /nfs/dbraw/zinc/84/34/51/598843451.db2.gz KYHKLTJKTURVAV-UHFFFAOYSA-N -2 3 387.400 2.176 20 0 GEADHL CCn1ncc2ccc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3F)cc21 ZINC000736730920 598843453 /nfs/dbraw/zinc/84/34/53/598843453.db2.gz KYHKLTJKTURVAV-UHFFFAOYSA-N -2 3 387.400 2.176 20 0 GEADHL C[C@H](C1CC1)n1nccc1[N-]S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000735963944 598866488 /nfs/dbraw/zinc/86/64/88/598866488.db2.gz ROZHTJZVLLVTSP-SECBINFHSA-N -2 3 393.860 2.488 20 0 GEADHL CC(C)[C@@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735710193 598909373 /nfs/dbraw/zinc/90/93/73/598909373.db2.gz NBXHEPIPPSMJCQ-QGZVFWFLSA-N -2 3 399.476 2.187 20 0 GEADHL CC(C)[C@@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735710193 598909374 /nfs/dbraw/zinc/90/93/74/598909374.db2.gz NBXHEPIPPSMJCQ-QGZVFWFLSA-N -2 3 399.476 2.187 20 0 GEADHL O=S(=O)([N-]c1cccc(C(F)(F)F)n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738341651 598910481 /nfs/dbraw/zinc/91/04/81/598910481.db2.gz IDRLXFGGIPCMRL-UHFFFAOYSA-N -2 3 388.306 2.220 20 0 GEADHL O=S(=O)([N-]c1cccc(C(F)(F)F)n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738341651 598910483 /nfs/dbraw/zinc/91/04/83/598910483.db2.gz IDRLXFGGIPCMRL-UHFFFAOYSA-N -2 3 388.306 2.220 20 0 GEADHL CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736351553 598924632 /nfs/dbraw/zinc/92/46/32/598924632.db2.gz SLLAKVDOYPKNHA-CYBMUJFWSA-N -2 3 377.470 2.278 20 0 GEADHL CC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736351553 598924633 /nfs/dbraw/zinc/92/46/33/598924633.db2.gz SLLAKVDOYPKNHA-CYBMUJFWSA-N -2 3 377.470 2.278 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1ccn(-c2ccccc2)n1 ZINC000737301367 598930062 /nfs/dbraw/zinc/93/00/62/598930062.db2.gz KYEVAAIUQLIDDC-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccn(-c2ccccc2)n1 ZINC000737301367 598930063 /nfs/dbraw/zinc/93/00/63/598930063.db2.gz KYEVAAIUQLIDDC-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL COc1cc(F)c(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2C)cc1OC ZINC000821720563 607255632 /nfs/dbraw/zinc/25/56/32/607255632.db2.gz VCGVTVZIXHNSDQ-UHFFFAOYSA-N -2 3 393.400 2.132 20 0 GEADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1cc(CC(C)(C)C)nn1C ZINC000737225964 599029445 /nfs/dbraw/zinc/02/94/45/599029445.db2.gz WJVGPQMWNLKQMW-UHFFFAOYSA-N -2 3 389.485 2.298 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1cc(CC(C)(C)C)nn1C ZINC000737225964 599029446 /nfs/dbraw/zinc/02/94/46/599029446.db2.gz WJVGPQMWNLKQMW-UHFFFAOYSA-N -2 3 389.485 2.298 20 0 GEADHL Cc1ccccc1[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737421806 599191082 /nfs/dbraw/zinc/19/10/82/599191082.db2.gz MKGPMAXRUPRFKM-AWEZNQCLSA-N -2 3 399.476 2.315 20 0 GEADHL Cc1ccccc1[C@@H](C)CC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737421806 599191084 /nfs/dbraw/zinc/19/10/84/599191084.db2.gz MKGPMAXRUPRFKM-AWEZNQCLSA-N -2 3 399.476 2.315 20 0 GEADHL O=C([O-])CCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000485538813 597281159 /nfs/dbraw/zinc/28/11/59/597281159.db2.gz ARLIDBPYHGLJRH-UHFFFAOYSA-N -2 3 380.397 2.221 20 0 GEADHL C[C@H](C(=O)[O-])N(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000675992033 597462456 /nfs/dbraw/zinc/46/24/56/597462456.db2.gz WTRRVUQFTQLKAN-LLVKDONJSA-N -2 3 380.397 2.172 20 0 GEADHL O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000738077944 598409681 /nfs/dbraw/zinc/40/96/81/598409681.db2.gz JSKQZWIVGFMNEF-UHFFFAOYSA-N -2 3 394.222 2.116 20 0 GEADHL O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000738077944 598409682 /nfs/dbraw/zinc/40/96/82/598409682.db2.gz JSKQZWIVGFMNEF-UHFFFAOYSA-N -2 3 394.222 2.116 20 0 GEADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)ccc1F ZINC000737236944 598416425 /nfs/dbraw/zinc/41/64/25/598416425.db2.gz VHAGXSAVOKMOHV-UHFFFAOYSA-N -2 3 395.803 2.086 20 0 GEADHL Cc1cc(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)ccc1F ZINC000737236944 598416426 /nfs/dbraw/zinc/41/64/26/598416426.db2.gz VHAGXSAVOKMOHV-UHFFFAOYSA-N -2 3 395.803 2.086 20 0 GEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1c(Cl)nc2sccn21 ZINC000728506371 598505371 /nfs/dbraw/zinc/50/53/71/598505371.db2.gz MBCLRHDXKRAAQK-UHFFFAOYSA-N -2 3 381.830 2.030 20 0 GEADHL O=C(C[C@@H]1CCCc2ccccc21)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737818912 598516280 /nfs/dbraw/zinc/51/62/80/598516280.db2.gz GCWSNHKYMCASEQ-HNNXBMFYSA-N -2 3 397.460 2.182 20 0 GEADHL O=C(C[C@@H]1CCCc2ccccc21)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737818912 598516282 /nfs/dbraw/zinc/51/62/82/598516282.db2.gz GCWSNHKYMCASEQ-HNNXBMFYSA-N -2 3 397.460 2.182 20 0 GEADHL CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000736664492 598598793 /nfs/dbraw/zinc/59/87/93/598598793.db2.gz MDZWOLHQAGZJNJ-UHFFFAOYSA-N -2 3 390.400 2.020 20 0 GEADHL CC[C@@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000736354273 598785204 /nfs/dbraw/zinc/78/52/04/598785204.db2.gz SUGALPAJBQAMNV-INIZCTEOSA-N -2 3 399.476 2.082 20 0 GEADHL CC[C@@H](Cc1ccccc1)C(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000736354273 598785205 /nfs/dbraw/zinc/78/52/05/598785205.db2.gz SUGALPAJBQAMNV-INIZCTEOSA-N -2 3 399.476 2.082 20 0 GEADHL CC(C)Cn1cc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cn1 ZINC000820108927 599305542 /nfs/dbraw/zinc/30/55/42/599305542.db2.gz VLBPKWHLRPIFBF-UHFFFAOYSA-N -2 3 381.849 2.173 20 0 GEADHL CC(C)Cn1cc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cn1 ZINC000820108927 599305544 /nfs/dbraw/zinc/30/55/44/599305544.db2.gz VLBPKWHLRPIFBF-UHFFFAOYSA-N -2 3 381.849 2.173 20 0 GEADHL COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC000736949167 599382018 /nfs/dbraw/zinc/38/20/18/599382018.db2.gz FNJGFJKRUJZDIP-UHFFFAOYSA-N -2 3 393.812 2.108 20 0 GEADHL COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC000736949167 599382020 /nfs/dbraw/zinc/38/20/20/599382020.db2.gz FNJGFJKRUJZDIP-UHFFFAOYSA-N -2 3 393.812 2.108 20 0 GEADHL Cc1cnn(-c2ccc(C)cc2[N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC000822224984 607377846 /nfs/dbraw/zinc/37/78/46/607377846.db2.gz IOZGAVAXXGLXQD-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL Cc1cnn(-c2ccc(C)cc2[N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC000822224984 607377848 /nfs/dbraw/zinc/37/78/48/607377848.db2.gz IOZGAVAXXGLXQD-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL O=S(=O)([N-]c1n[nH]c2c1cccc2Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000823589008 607381481 /nfs/dbraw/zinc/38/14/81/607381481.db2.gz HTLXAFXUFIRWOU-UHFFFAOYSA-N -2 3 375.801 2.197 20 0 GEADHL O=S(=O)([N-]c1n[nH]c2c1cccc2Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000823589008 607381483 /nfs/dbraw/zinc/38/14/83/607381483.db2.gz HTLXAFXUFIRWOU-UHFFFAOYSA-N -2 3 375.801 2.197 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3)CCOCC2)o1 ZINC000563883732 599772598 /nfs/dbraw/zinc/77/25/98/599772598.db2.gz WMKZFRGMSNOYTJ-UHFFFAOYSA-N -2 3 383.397 2.144 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccc3c(c2)OCCO3)C2CC2)o1 ZINC000645956328 599773303 /nfs/dbraw/zinc/77/33/03/599773303.db2.gz PRZSNCGBKICKEU-MRXNPFEDSA-N -2 3 379.390 2.179 20 0 GEADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)N(C)c2ccccc2C(=O)[O-])ccc1F ZINC000736478384 599838240 /nfs/dbraw/zinc/83/82/40/599838240.db2.gz ZHTMYRGUOTXNGG-UHFFFAOYSA-N -2 3 394.424 2.487 20 0 GEADHL COc1ccc([C@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)C(=O)[O-])cc1 ZINC000737968526 599895459 /nfs/dbraw/zinc/89/54/59/599895459.db2.gz HCUAYYBLANTZSI-AWEZNQCLSA-N -2 3 375.324 2.217 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)ccc1O ZINC000740304633 599927065 /nfs/dbraw/zinc/92/70/65/599927065.db2.gz VVJUTDNKMCXOEV-UHFFFAOYSA-N -2 3 376.390 2.166 20 0 GEADHL CC[C@]([N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C)(C(=O)OC)c1ccccc1 ZINC000736923170 599939005 /nfs/dbraw/zinc/93/90/05/599939005.db2.gz FLWRSKJMXPAYMR-LJQANCHMSA-N -2 3 391.445 2.450 20 0 GEADHL Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC000738997843 600071482 /nfs/dbraw/zinc/07/14/82/600071482.db2.gz WSHISQHDFZYVAZ-UHFFFAOYSA-N -2 3 378.388 2.406 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2ccccc2N2CCN(C)CC2)c1C(=O)[O-] ZINC000738746331 600103802 /nfs/dbraw/zinc/10/38/02/600103802.db2.gz XAAXSWUWGKRYKY-UHFFFAOYSA-N -2 3 389.477 2.246 20 0 GEADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])c2ccc(C)cc2)c1 ZINC000737692341 600171327 /nfs/dbraw/zinc/17/13/27/600171327.db2.gz ZVWSMLGRILLMEP-CQSZACIVSA-N -2 3 395.408 2.067 20 0 GEADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@@](C)(C(=O)[O-])C1CC1 ZINC000737840484 600238994 /nfs/dbraw/zinc/23/89/94/600238994.db2.gz VRUFIMFGMGSILD-CYBMUJFWSA-N -2 3 396.234 2.128 20 0 GEADHL Cc1c(C[S@@](C)=O)cccc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000738287134 600254948 /nfs/dbraw/zinc/25/49/48/600254948.db2.gz AOGDNMMWOUXMJC-XMMPIXPASA-N -2 3 383.447 2.078 20 0 GEADHL CCOc1ccc(C[C@@H](CNC(=O)c2nnc3ccccc3c2[O-])C(=O)[O-])cc1 ZINC000737205599 600360960 /nfs/dbraw/zinc/36/09/60/600360960.db2.gz NANVHCPPISJJGS-AWEZNQCLSA-N -2 3 395.415 2.407 20 0 GEADHL C[C@@H]1CCc2c(sc(NC(=O)COC(=O)c3cncc([O-])c3)c2C(=O)[O-])C1 ZINC000736801042 600371274 /nfs/dbraw/zinc/37/12/74/600371274.db2.gz IWXDVJKKGYCBNL-SECBINFHSA-N -2 3 390.417 2.467 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)cc1C(=O)[O-] ZINC000042122794 600541379 /nfs/dbraw/zinc/54/13/79/600541379.db2.gz IJCHQYSZAYZHBX-UHFFFAOYSA-N -2 3 390.417 2.321 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cccn3)cc2)cc1C(=O)[O-] ZINC000048382568 600542433 /nfs/dbraw/zinc/54/24/33/600542433.db2.gz YCKRMVQPJNDXHT-UHFFFAOYSA-N -2 3 387.417 2.439 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N(C)C(=O)[O-])cc2)ccc1OC ZINC000737680275 600544474 /nfs/dbraw/zinc/54/44/74/600544474.db2.gz GXFRZHLTEABWCX-UHFFFAOYSA-N -2 3 394.405 2.397 20 0 GEADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F)[C@H]1CCCO1 ZINC000736665796 600632766 /nfs/dbraw/zinc/63/27/66/600632766.db2.gz ZGRNSFUHDJKIMK-RDDDGLTNSA-N -2 3 396.234 2.132 20 0 GEADHL O=C([O-])c1ccc(OCCOC(=O)CNC(=O)c2ccc([O-])cc2)c(Cl)c1 ZINC000833109505 600657258 /nfs/dbraw/zinc/65/72/58/600657258.db2.gz DXPBWCFIOLMVIR-UHFFFAOYSA-N -2 3 393.779 2.096 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c[nH]1 ZINC000299548020 600677521 /nfs/dbraw/zinc/67/75/21/600677521.db2.gz CKZPRPVQKVEMPP-AWEZNQCLSA-N -2 3 376.394 2.242 20 0 GEADHL O=C([O-])c1cc(Br)ccc1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000607614399 600693196 /nfs/dbraw/zinc/69/31/96/600693196.db2.gz GVYOSENVASFHIE-JTQLQIEISA-N -2 3 378.244 2.458 20 0 GEADHL COC(=O)Nc1ccc(C(=O)OCc2cn3cccc(C(=O)[O-])c3n2)cc1[O-] ZINC000831211153 600733317 /nfs/dbraw/zinc/73/33/17/600733317.db2.gz YQWRUXUGACDMBA-UHFFFAOYSA-N -2 3 385.332 2.273 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCN(c3ccccc3Cl)C2=O)o1 ZINC000833325174 600762215 /nfs/dbraw/zinc/76/22/15/600762215.db2.gz UVVVLEULXPTSPM-LLVKDONJSA-N -2 3 398.824 2.105 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000507586848 600815223 /nfs/dbraw/zinc/81/52/23/600815223.db2.gz XNTCPXQMSGOSNM-UHFFFAOYSA-N -3 3 379.390 2.348 20 0 GEADHL O=C([O-])c1n[nH]c2ccc([N-]S(=O)(=O)CCOc3ccc(F)cc3)cc21 ZINC000740278453 601048288 /nfs/dbraw/zinc/04/82/88/601048288.db2.gz SSOJJWZFAQJGHL-UHFFFAOYSA-N -2 3 379.369 2.221 20 0 GEADHL Cc1oc(S(=O)(=O)[N-]Cc2ccnc(OCC(F)(F)F)c2)cc1C(=O)[O-] ZINC000833027327 601217056 /nfs/dbraw/zinc/21/70/56/601217056.db2.gz QYTAFIYBTWCOKD-UHFFFAOYSA-N -2 3 394.327 2.101 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2cccc(N3CCOC3=O)c2)cc1C(=O)[O-] ZINC000833028749 601219569 /nfs/dbraw/zinc/21/95/69/601219569.db2.gz QNPAFTXQEDUUTR-SNVBAGLBSA-N -2 3 394.405 2.282 20 0 GEADHL Cc1ccc([C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)N2CCCC2)o1 ZINC000832924161 601220017 /nfs/dbraw/zinc/22/00/17/601220017.db2.gz XPDAODJZXDTRKG-AWEZNQCLSA-N -2 3 382.438 2.303 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(F)cc3F)C2)cc1C(=O)[O-] ZINC000833027507 601220921 /nfs/dbraw/zinc/22/09/21/601220921.db2.gz FZZXISLMBGUZQS-LLVKDONJSA-N -2 3 386.376 2.122 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCN(c3ccc(Cl)cc3)C2=O)cc1C(=O)[O-] ZINC000833027147 601222578 /nfs/dbraw/zinc/22/25/78/601222578.db2.gz CYEMJWUOTBRGKR-CYBMUJFWSA-N -2 3 398.824 2.023 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@@H](Cn2cccn2)c2ccccc2)cc1C(=O)[O-] ZINC000833027043 601222649 /nfs/dbraw/zinc/22/26/49/601222649.db2.gz AHLIJLBDCMBZTI-HNNXBMFYSA-N -2 3 375.406 2.203 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCc2ccc(F)cc2F)c1F ZINC000833294443 601236344 /nfs/dbraw/zinc/23/63/44/601236344.db2.gz SUTJLNNRYABMKQ-UHFFFAOYSA-N -2 3 377.315 2.462 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@@H]2OCCc3ccccc32)c1F ZINC000833293940 601236474 /nfs/dbraw/zinc/23/64/74/601236474.db2.gz JJYBQWRDLQFKRY-ZDUSSCGKSA-N -2 3 383.372 2.255 20 0 GEADHL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000530887929 601250465 /nfs/dbraw/zinc/25/04/65/601250465.db2.gz NOGHKEWHIZSCDJ-UHFFFAOYSA-N -3 3 379.390 2.455 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)CCO3)cc1C(=O)[O-] ZINC000832468511 601362894 /nfs/dbraw/zinc/36/28/94/601362894.db2.gz FVVDGTIUVMCKLU-UHFFFAOYSA-N -2 3 378.406 2.023 20 0 GEADHL COC(=O)[C@@H]([N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000831078722 601388414 /nfs/dbraw/zinc/38/84/14/601388414.db2.gz OTSJWEONAWCQCR-HNNXBMFYSA-N -2 3 397.836 2.372 20 0 GEADHL COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000831079464 601388589 /nfs/dbraw/zinc/38/85/89/601388589.db2.gz VHOFGKFMAMAFKN-AWEZNQCLSA-N -2 3 383.809 2.231 20 0 GEADHL O=C([O-])C[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CC1 ZINC000767071908 601527922 /nfs/dbraw/zinc/52/79/22/601527922.db2.gz FOTNUKRYNKVRQR-LBPRGKRZSA-N -2 3 379.210 2.274 20 0 GEADHL CCCCC[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)C(=O)[O-] ZINC000829333375 601638515 /nfs/dbraw/zinc/63/85/15/601638515.db2.gz MHFWUBQHXBYAIX-AWEZNQCLSA-N -2 3 386.445 2.030 20 0 GEADHL CC(C)(CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C(=O)[O-] ZINC000510120052 601706177 /nfs/dbraw/zinc/70/61/77/601706177.db2.gz RJTUBVPAYRLTSO-UHFFFAOYSA-N -2 3 394.424 2.467 20 0 GEADHL CS(=O)(=O)[N-]c1cc(C(=O)OCc2ccc(C(=O)[O-])c(F)c2)ccc1F ZINC000832699279 601727049 /nfs/dbraw/zinc/72/70/49/601727049.db2.gz CWVAVVVPQKOJRN-UHFFFAOYSA-N -2 3 385.344 2.392 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCCS2)c(F)cc1Br ZINC000833303369 601802372 /nfs/dbraw/zinc/80/23/72/601802372.db2.gz HVXMJWLJMAAETB-SSDOTTSWSA-N -2 3 398.275 2.460 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c(N(C)C)n1 ZINC000826291652 607532366 /nfs/dbraw/zinc/53/23/66/607532366.db2.gz PCXKNBWTHSWUIX-UHFFFAOYSA-N -2 3 393.860 2.090 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c(N(C)C)n1 ZINC000826291652 607532368 /nfs/dbraw/zinc/53/23/68/607532368.db2.gz PCXKNBWTHSWUIX-UHFFFAOYSA-N -2 3 393.860 2.090 20 0 GEADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000832993343 601875795 /nfs/dbraw/zinc/87/57/95/601875795.db2.gz UDRNSBVFXJXXHD-UHFFFAOYSA-N -2 3 382.351 2.159 20 0 GEADHL C[C@@H](CC[N-]S(=O)(=O)c1cc(Br)ccc1Cl)NC(=O)[O-] ZINC000738907425 602101091 /nfs/dbraw/zinc/10/10/91/602101091.db2.gz TVMLSHWXLODYGW-ZETCQYMHSA-N -2 3 385.667 2.427 20 0 GEADHL O=C([O-])c1csc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)c1 ZINC000833342642 602179212 /nfs/dbraw/zinc/17/92/12/602179212.db2.gz JEWRNPRGPQGGHQ-UHFFFAOYSA-N -2 3 384.410 2.278 20 0 GEADHL CC(C)C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)C(=O)[O-])c(Cl)cc1Cl ZINC000737630136 602246590 /nfs/dbraw/zinc/24/65/90/602246590.db2.gz FRZDLEJUKQTLHN-MRVPVSSYSA-N -2 3 397.280 2.131 20 0 GEADHL COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)C(=O)[O-])c2)cc1 ZINC000485878662 602253611 /nfs/dbraw/zinc/25/36/11/602253611.db2.gz BXXMKNIEAAYWGV-GFCCVEGCSA-N -2 3 392.433 2.007 20 0 GEADHL O=C([O-])Nc1cccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000833288872 602293872 /nfs/dbraw/zinc/29/38/72/602293872.db2.gz NSHMDNYOBKNTDM-UHFFFAOYSA-N -2 3 384.392 2.472 20 0 GEADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)cc1C(=O)[O-] ZINC000533165254 602321665 /nfs/dbraw/zinc/32/16/65/602321665.db2.gz NSBKNYWUBBMIFY-UHFFFAOYSA-N -3 3 383.353 2.422 20 0 GEADHL Cc1ccc(NC(=O)CN(C)C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1F ZINC000740133944 602324672 /nfs/dbraw/zinc/32/46/72/602324672.db2.gz BRTAGPPSHALYLW-UHFFFAOYSA-N -2 3 395.412 2.483 20 0 GEADHL CN(CCCC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O)C(=O)[O-] ZINC000737429042 602522663 /nfs/dbraw/zinc/52/26/63/602522663.db2.gz AHZGBFPOOBEXRI-UHFFFAOYSA-N -2 3 397.375 2.405 20 0 GEADHL O=C([O-])NCc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000740673775 602593576 /nfs/dbraw/zinc/59/35/76/602593576.db2.gz HWXQABKYCUWJOU-INIZCTEOSA-N -2 3 383.404 2.403 20 0 GEADHL CN(CCCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000739680839 602732736 /nfs/dbraw/zinc/73/27/36/602732736.db2.gz YWFKOOPDXAVJFX-UHFFFAOYSA-N -2 3 382.214 2.020 20 0 GEADHL COc1ccccc1[C@@H](C[N-]S(=O)(=O)c1cccnc1Cl)NC(=O)[O-] ZINC000739965873 602878451 /nfs/dbraw/zinc/87/84/51/602878451.db2.gz YIMGULNWYNIXFB-LLVKDONJSA-N -2 3 385.829 2.031 20 0 GEADHL O=C([O-])Nc1ccc(F)c(NC(=O)NCCNC(=O)c2ccc([O-])cc2)c1 ZINC000740705992 603038596 /nfs/dbraw/zinc/03/85/96/603038596.db2.gz WAFFEZZJXZMUDO-UHFFFAOYSA-N -2 3 376.344 2.173 20 0 GEADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)c(C)o1 ZINC000828578711 603544169 /nfs/dbraw/zinc/54/41/69/603544169.db2.gz CMKFUNPKVZUINB-SECBINFHSA-N -2 3 381.410 2.077 20 0 GEADHL CC(C)[C@@H](CCN(C)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-])NC(=O)[O-] ZINC000824078198 603606960 /nfs/dbraw/zinc/60/69/60/603606960.db2.gz IJAHAGBMFKHFGW-HZPDHXFCSA-N -2 3 391.468 2.138 20 0 GEADHL C[C@H](C(=O)OCC(=O)[N-]C(=O)c1cccs1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823731378 604027267 /nfs/dbraw/zinc/02/72/67/604027267.db2.gz MAQDSJZSPWCZFD-NHYWBVRUSA-N -2 3 390.417 2.193 20 0 GEADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]Cc1ccc([C@@H](C)NC(=O)[O-])cc1 ZINC000830862009 604335276 /nfs/dbraw/zinc/33/52/76/604335276.db2.gz SBGLLLJCKVJZMI-SECBINFHSA-N -2 3 386.861 2.189 20 0 GEADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]Cc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000830862011 604335496 /nfs/dbraw/zinc/33/54/96/604335496.db2.gz SBGLLLJCKVJZMI-VIFPVBQESA-N -2 3 386.861 2.189 20 0 GEADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2cc(F)ccc2Br)o1 ZINC000548262870 604480082 /nfs/dbraw/zinc/48/00/82/604480082.db2.gz DIPJRZYVBGFSMC-UHFFFAOYSA-N -2 3 378.175 2.358 20 0 GEADHL CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1nc2cccc(C(=O)[O-])c2[nH]1 ZINC000833665306 604502280 /nfs/dbraw/zinc/50/22/80/604502280.db2.gz GHKUSZVDEMVGRJ-UHFFFAOYSA-N -2 3 388.405 2.275 20 0 GEADHL C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Br)cc2F)CCO1 ZINC000833597772 604704934 /nfs/dbraw/zinc/70/49/34/604704934.db2.gz MOLJAUZEWICZMG-HTQZYQBOSA-N -2 3 396.234 2.132 20 0 GEADHL O=C([O-])C[C@H]1CCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000833212370 604752712 /nfs/dbraw/zinc/75/27/12/604752712.db2.gz WIDLOBAJHVAGLV-SNVBAGLBSA-N -2 3 379.210 2.370 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ncccc2Br)cc1C(=O)[O-] ZINC000387967635 604796534 /nfs/dbraw/zinc/79/65/34/604796534.db2.gz JJIRCMVENDOJSV-UHFFFAOYSA-N -2 3 387.211 2.352 20 0 GEADHL C[C@@H](Sc1ccccc1C(=O)NCCNC(=O)c1ccc([O-])cc1)C(=O)[O-] ZINC000827916894 604914657 /nfs/dbraw/zinc/91/46/57/604914657.db2.gz WBAGLAZBUNYDSM-GFCCVEGCSA-N -2 3 388.445 2.117 20 0 GEADHL CCc1nc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2[O-])sc1C(=O)[O-] ZINC000833675092 605007413 /nfs/dbraw/zinc/00/74/13/605007413.db2.gz BRAOYJRRBDKGTJ-LBPRGKRZSA-N -2 3 389.433 2.353 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cc1CC(=O)[O-] ZINC000539195437 605041449 /nfs/dbraw/zinc/04/14/49/605041449.db2.gz XDPPUMABGVNSEN-UHFFFAOYSA-N -3 3 379.390 2.130 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1CC(=O)[O-] ZINC000540340280 605041731 /nfs/dbraw/zinc/04/17/31/605041731.db2.gz DJHJLEUBCPINFC-UHFFFAOYSA-N -3 3 399.808 2.475 20 0 GEADHL CN(C[C@@H]1CCCN1C(=O)NCc1ccc([O-])c(Br)c1)C(=O)[O-] ZINC000828205543 605190496 /nfs/dbraw/zinc/19/04/96/605190496.db2.gz DHCRMSAKIVDGFG-NSHDSACASA-N -2 3 386.246 2.439 20 0 GEADHL O=C([O-])NC[C@@H]1CCCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000832534313 605191588 /nfs/dbraw/zinc/19/15/88/605191588.db2.gz UMRMOUXSYWAISQ-NSHDSACASA-N -2 3 386.246 2.344 20 0 GEADHL CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCc1cc(C(=O)[O-])ccc1Cl ZINC000833427551 605817502 /nfs/dbraw/zinc/81/75/02/605817502.db2.gz UUZFCLIGBPMIPV-GFCCVEGCSA-N -2 3 377.846 2.045 20 0 GEADHL Cc1ccc(F)c(-n2cc([O-])c(C(=O)Nc3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC000822240239 606197006 /nfs/dbraw/zinc/19/70/06/606197006.db2.gz YNAGQBDSOYKRNB-UHFFFAOYSA-N -2 3 379.355 2.458 20 0 GEADHL Cc1ccc(F)c(-n2cc([O-])c(C(=O)Nc3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC000822240239 606197007 /nfs/dbraw/zinc/19/70/07/606197007.db2.gz YNAGQBDSOYKRNB-UHFFFAOYSA-N -2 3 379.355 2.458 20 0 GEADHL Cc1cc2cccnc2c(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2O)c1 ZINC000822211636 606212462 /nfs/dbraw/zinc/21/24/62/606212462.db2.gz IKNPVAOLNRNVNV-UHFFFAOYSA-N -2 3 382.405 2.230 20 0 GEADHL Cn1cnc2cc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)c(Cl)c3)ccc21 ZINC000822698778 606359672 /nfs/dbraw/zinc/35/96/72/606359672.db2.gz DZYMEXMWFHKSHX-UHFFFAOYSA-N -2 3 389.828 2.208 20 0 GEADHL CCCCCc1nnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000821061541 606468320 /nfs/dbraw/zinc/46/83/20/606468320.db2.gz PRELANRSVKPUOO-UHFFFAOYSA-N -2 3 397.461 2.391 20 0 GEADHL CCCCCc1nnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000821061541 606468321 /nfs/dbraw/zinc/46/83/21/606468321.db2.gz PRELANRSVKPUOO-UHFFFAOYSA-N -2 3 397.461 2.391 20 0 GEADHL Cc1ccnc([N-]S(=O)(=O)c2cc(Br)cc(-c3nnn[n-]3)c2)c1 ZINC000822378472 606637288 /nfs/dbraw/zinc/63/72/88/606637288.db2.gz AJQGIUZATSUULN-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL Cc1ccnc([N-]S(=O)(=O)c2cc(Br)cc(-c3nn[n-]n3)c2)c1 ZINC000822378472 606637289 /nfs/dbraw/zinc/63/72/89/606637289.db2.gz AJQGIUZATSUULN-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL CC(C)(C)n1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cccc3cccnc32)n1 ZINC000819971284 606706832 /nfs/dbraw/zinc/70/68/32/606706832.db2.gz HPPYXUKBVAJREQ-UHFFFAOYSA-N -2 3 398.452 2.167 20 0 GEADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2nn(C)cc2-c2nnn[n-]2)c1Cl ZINC000822240203 606709565 /nfs/dbraw/zinc/70/95/65/606709565.db2.gz WQOSCXSCOHTORG-UHFFFAOYSA-N -2 3 388.240 2.016 20 0 GEADHL CC(C)CC1(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC000820062155 606747384 /nfs/dbraw/zinc/74/73/84/606747384.db2.gz IDRVBYXOUZHPKI-UHFFFAOYSA-N -2 3 391.497 2.419 20 0 GEADHL CC(C)CC1(C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC000820062155 606747386 /nfs/dbraw/zinc/74/73/86/606747386.db2.gz IDRVBYXOUZHPKI-UHFFFAOYSA-N -2 3 391.497 2.419 20 0 GEADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000821589435 606751177 /nfs/dbraw/zinc/75/11/77/606751177.db2.gz NEEXNUAQUWEPMS-UHFFFAOYSA-N -2 3 380.380 2.012 20 0 GEADHL O=S(=O)([N-]c1nnc(C(F)F)s1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823589046 606751644 /nfs/dbraw/zinc/75/16/44/606751644.db2.gz JTMCAYMZGFNHEQ-UHFFFAOYSA-N -2 3 393.788 2.110 20 0 GEADHL O=S(=O)([N-]c1nnc(C(F)F)s1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823589046 606751645 /nfs/dbraw/zinc/75/16/45/606751645.db2.gz JTMCAYMZGFNHEQ-UHFFFAOYSA-N -2 3 393.788 2.110 20 0 GEADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)Cc2cccc(F)c2)c1 ZINC000821588555 606820076 /nfs/dbraw/zinc/82/00/76/606820076.db2.gz YHMIOJLSBOIOMW-UHFFFAOYSA-N -2 3 376.417 2.014 20 0 GEADHL Cc1cc(F)c(S(=O)(=O)[N-]c2cc(N(C)C)ccc2-c2nn[n-]n2)cc1F ZINC000822203262 606821066 /nfs/dbraw/zinc/82/10/66/606821066.db2.gz LGJWADKPEWAISB-UHFFFAOYSA-N -2 3 394.407 2.320 20 0 GEADHL O=S(=O)([N-]c1ccc2c(c1)CCC2)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823588988 606865773 /nfs/dbraw/zinc/86/57/73/606865773.db2.gz GYKMQLMEAKAOIR-UHFFFAOYSA-N -2 3 377.376 2.434 20 0 GEADHL O=S(=O)([N-]c1ccc2c(c1)CCC2)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823588988 606865775 /nfs/dbraw/zinc/86/57/75/606865775.db2.gz GYKMQLMEAKAOIR-UHFFFAOYSA-N -2 3 377.376 2.434 20 0 GEADHL COc1ccc(F)c([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000821827704 606865950 /nfs/dbraw/zinc/86/59/50/606865950.db2.gz IYLVGQYYQFVHOO-UHFFFAOYSA-N -2 3 385.327 2.093 20 0 GEADHL COc1ccc(F)c([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000821827704 606865952 /nfs/dbraw/zinc/86/59/52/606865952.db2.gz IYLVGQYYQFVHOO-UHFFFAOYSA-N -2 3 385.327 2.093 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c2n[nH]cc21 ZINC000822258914 606866411 /nfs/dbraw/zinc/86/64/11/606866411.db2.gz HILKWFFIMOOYGN-UHFFFAOYSA-N -2 3 391.363 2.130 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c2n[nH]cc21 ZINC000822258914 606866413 /nfs/dbraw/zinc/86/64/13/606866413.db2.gz HILKWFFIMOOYGN-UHFFFAOYSA-N -2 3 391.363 2.130 20 0 GEADHL O=S(=O)([N-][C@H]1CCCc2occc21)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572801 606885252 /nfs/dbraw/zinc/88/52/52/606885252.db2.gz NBZKOWXHICXDSU-LBPRGKRZSA-N -2 3 381.364 2.094 20 0 GEADHL C[C@@]1(c2ccccc2)C[C@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820634183 606893623 /nfs/dbraw/zinc/89/36/23/606893623.db2.gz FVBUCJKFSHZMIW-PBHICJAKSA-N -2 3 391.403 2.153 20 0 GEADHL CC[C@](NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1)(C(=O)[O-])c1ccccc1 ZINC000820913970 607104508 /nfs/dbraw/zinc/10/45/08/607104508.db2.gz LVMYKGIDSAXUEM-ZUOKHONESA-N -2 3 395.419 2.140 20 0 GEADHL CC[C@](NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1)(C(=O)[O-])c1ccccc1 ZINC000820913970 607104509 /nfs/dbraw/zinc/10/45/09/607104509.db2.gz LVMYKGIDSAXUEM-ZUOKHONESA-N -2 3 395.419 2.140 20 0 GEADHL C[C@@H](c1ccccc1)n1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820570918 607112310 /nfs/dbraw/zinc/11/23/10/607112310.db2.gz UBPIFNXQLLMQBM-ZDUSSCGKSA-N -2 3 395.448 2.473 20 0 GEADHL C[C@@H](c1ccccc1)n1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820570918 607112311 /nfs/dbraw/zinc/11/23/11/607112311.db2.gz UBPIFNXQLLMQBM-ZDUSSCGKSA-N -2 3 395.448 2.473 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)cccc1C(F)(F)F ZINC000822122563 607155587 /nfs/dbraw/zinc/15/55/87/607155587.db2.gz NZPNQURIKQSTPQ-UHFFFAOYSA-N -2 3 384.343 2.390 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)cccc1C(F)(F)F ZINC000822122563 607155589 /nfs/dbraw/zinc/15/55/89/607155589.db2.gz NZPNQURIKQSTPQ-UHFFFAOYSA-N -2 3 384.343 2.390 20 0 GEADHL CC1(C)CCCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824802975 607776480 /nfs/dbraw/zinc/77/64/80/607776480.db2.gz PXYZYLXFYOGGOH-CYBMUJFWSA-N -2 3 377.470 2.278 20 0 GEADHL CC1(C)CCCC[C@@H]1CC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824802975 607776481 /nfs/dbraw/zinc/77/64/81/607776481.db2.gz PXYZYLXFYOGGOH-CYBMUJFWSA-N -2 3 377.470 2.278 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)n[nH]c1C(F)(F)F ZINC000826280267 607843951 /nfs/dbraw/zinc/84/39/51/607843951.db2.gz VDDZABUCWDBQQW-UHFFFAOYSA-N -2 3 387.347 2.026 20 0 GEADHL CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824305034 608234736 /nfs/dbraw/zinc/23/47/36/608234736.db2.gz JSENKKKIZAAGSC-UHFFFAOYSA-N -2 3 377.405 2.022 20 0 GEADHL O=S(=O)([N-]c1ccc(-c2ncco2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826492313 608268522 /nfs/dbraw/zinc/26/85/22/608268522.db2.gz CPEKFKUQCMZJOL-UHFFFAOYSA-N -2 3 386.368 2.462 20 0 GEADHL O=S(=O)([N-]c1ccc(-c2ncco2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826492313 608268524 /nfs/dbraw/zinc/26/85/24/608268524.db2.gz CPEKFKUQCMZJOL-UHFFFAOYSA-N -2 3 386.368 2.462 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)nn1-c1ccc(C)cc1 ZINC000826281215 608583153 /nfs/dbraw/zinc/58/31/53/608583153.db2.gz JIKDTNXJMRPDOE-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)nn1-c1ccc(C)cc1 ZINC000826281215 608583156 /nfs/dbraw/zinc/58/31/56/608583156.db2.gz JIKDTNXJMRPDOE-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC(C)(C)C1 ZINC000824864353 609142248 /nfs/dbraw/zinc/14/22/48/609142248.db2.gz AORVSLHSKHJODI-WFASDCNBSA-N -2 3 391.497 2.275 20 0 GEADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC(C)(C)C1 ZINC000824864353 609142250 /nfs/dbraw/zinc/14/22/50/609142250.db2.gz AORVSLHSKHJODI-WFASDCNBSA-N -2 3 391.497 2.275 20 0 GEADHL Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000826280300 609274376 /nfs/dbraw/zinc/27/43/76/609274376.db2.gz WSDSRYZIOBMKHC-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL Cc1nn(-c2ccccc2)cc1[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000826280300 609274378 /nfs/dbraw/zinc/27/43/78/609274378.db2.gz WSDSRYZIOBMKHC-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL O=C(Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)c1cc(F)ccc1[O-] ZINC000826458461 609314351 /nfs/dbraw/zinc/31/43/51/609314351.db2.gz QSKBHJOGPNFCHU-UHFFFAOYSA-N -2 3 383.318 2.289 20 0 GEADHL CCCS(=O)(=O)[N-]C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825342877 609386306 /nfs/dbraw/zinc/38/63/06/609386306.db2.gz XLNPTTORPPUIJU-UHFFFAOYSA-N -2 3 387.421 2.129 20 0 GEADHL CCCS(=O)(=O)[N-]C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825342877 609386309 /nfs/dbraw/zinc/38/63/09/609386309.db2.gz XLNPTTORPPUIJU-UHFFFAOYSA-N -2 3 387.421 2.129 20 0 GEADHL O=C([N-]N1Cc2ccccc2C1=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000826444639 609427561 /nfs/dbraw/zinc/42/75/61/609427561.db2.gz OFLDPLGTCUVSSX-UHFFFAOYSA-N -2 3 389.202 2.474 20 0 GEADHL O=S(=O)([N-]c1nc(-c2cccs2)ns1)c1cccc(-c2nnn[n-]2)c1 ZINC000826492740 609451232 /nfs/dbraw/zinc/45/12/32/609451232.db2.gz ASMOOXCXTRWHMZ-UHFFFAOYSA-N -2 3 391.463 2.248 20 0 GEADHL O=S(=O)([N-]c1nc(-c2cccs2)ns1)c1cccc(-c2nn[n-]n2)c1 ZINC000826492740 609451234 /nfs/dbraw/zinc/45/12/34/609451234.db2.gz ASMOOXCXTRWHMZ-UHFFFAOYSA-N -2 3 391.463 2.248 20 0 GEADHL Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826315887 609470361 /nfs/dbraw/zinc/47/03/61/609470361.db2.gz XSRYVLPOGCWUSO-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826461350 609528860 /nfs/dbraw/zinc/52/88/60/609528860.db2.gz QWYXDABKZCTAHY-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826461350 609528862 /nfs/dbraw/zinc/52/88/62/609528862.db2.gz QWYXDABKZCTAHY-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccn2)c(F)c1 ZINC000446723374 649987608 /nfs/dbraw/zinc/98/76/08/649987608.db2.gz QUKBYYUMBPWLDH-UHFFFAOYSA-N -2 3 379.822 2.046 20 0 GEADHL O=C([O-])c1cc(F)c(Br)cc1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000451077887 650084196 /nfs/dbraw/zinc/08/41/96/650084196.db2.gz KWTANIUORJZDAC-SSDOTTSWSA-N -2 3 382.207 2.207 20 0 GEADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000515023103 650584659 /nfs/dbraw/zinc/58/46/59/650584659.db2.gz AGEJGIXTKSESAI-UHFFFAOYSA-N -2 3 384.863 2.250 20 0 GEADHL CCc1ncsc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000479116900 650596228 /nfs/dbraw/zinc/59/62/28/650596228.db2.gz ULXJVYCKPUJCDL-UHFFFAOYSA-N -2 3 379.460 2.017 20 0 GEADHL Cc1cc(=O)n2[n-]c([N-]S(=O)(=O)c3c(Cl)ccc(C)c3Cl)nc2n1 ZINC000484430963 650686924 /nfs/dbraw/zinc/68/69/24/650686924.db2.gz LHIOQICKAMGJSK-UHFFFAOYSA-N -2 3 388.236 2.142 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c(F)c1 ZINC000057116720 642805212 /nfs/dbraw/zinc/80/52/12/642805212.db2.gz VXUAABQSSTULJG-UHFFFAOYSA-N -2 3 380.369 2.276 20 0 GEADHL CCOc1ccccc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000057115966 642805389 /nfs/dbraw/zinc/80/53/89/642805389.db2.gz PDYZWWOGPADQOJ-UHFFFAOYSA-N -2 3 388.442 2.397 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccn2)cc1F ZINC000540561561 650864575 /nfs/dbraw/zinc/86/45/75/650864575.db2.gz OUTDKAXUJAVWAL-UHFFFAOYSA-N -2 3 393.849 2.437 20 0 GEADHL O=C([O-])C1([N-]S(=O)(=O)c2cc(Br)ccc2Br)CC1 ZINC000201846372 645383465 /nfs/dbraw/zinc/38/34/65/645383465.db2.gz BJKLMTSGSYRQOZ-UHFFFAOYSA-N -2 3 399.060 2.107 20 0 GEADHL CCc1ncc(S(=O)(=O)[N-][C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])s1 ZINC000547598437 651038097 /nfs/dbraw/zinc/03/80/97/651038097.db2.gz VUSXOAKBEGWNPD-ZDUSSCGKSA-N -2 3 379.463 2.161 20 0 GEADHL O=C([O-])[C@@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000547881645 651050835 /nfs/dbraw/zinc/05/08/35/651050835.db2.gz KGDVKJDQIPTFEF-GZMMTYOYSA-N -2 3 385.335 2.003 20 0 GEADHL CCc1ncsc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000269502951 646042402 /nfs/dbraw/zinc/04/24/02/646042402.db2.gz XOOPDUSQCQLJCV-UHFFFAOYSA-N -2 3 379.460 2.017 20 0 GEADHL CCc1cnc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)CC)c(F)c2)s1 ZINC000271853789 646234279 /nfs/dbraw/zinc/23/42/79/646234279.db2.gz HOUVLWBBHYCROB-UHFFFAOYSA-N -2 3 393.487 2.407 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)n2)cc1F ZINC000271907965 646239567 /nfs/dbraw/zinc/23/95/67/646239567.db2.gz PVOYCLYQHGRGMK-UHFFFAOYSA-N -2 3 387.458 2.400 20 0 GEADHL CCO[C@H]1C[C@@]([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)(C(=O)[O-])C1(C)C ZINC000275770248 646358870 /nfs/dbraw/zinc/35/88/70/646358870.db2.gz SUTJTGCZDMXBJQ-IINYFYTJSA-N -2 3 397.280 2.325 20 0 GEADHL Cc1ncc(S(=O)(=O)[N-]C[C@@H](Cc2cc(F)c(F)c(F)c2)C(=O)[O-])s1 ZINC000277316860 646401986 /nfs/dbraw/zinc/40/19/86/646401986.db2.gz MAYYAEDOWJDUNB-SECBINFHSA-N -2 3 394.396 2.091 20 0 GEADHL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000365111576 647659390 /nfs/dbraw/zinc/65/93/90/647659390.db2.gz DMULNFNSXBOIKX-UHFFFAOYSA-N -3 3 379.785 2.019 20 0 GEADHL CCCc1ncc(C[N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)o1 ZINC000414344033 648096939 /nfs/dbraw/zinc/09/69/39/648096939.db2.gz RGADBLIQGLQTAC-UHFFFAOYSA-N -2 3 388.829 2.222 20 0 GEADHL COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1cc(F)c(F)cc1C(=O)[O-] ZINC000548526625 651079135 /nfs/dbraw/zinc/07/91/35/651079135.db2.gz LLOHJGPXICBFGL-ISVAXAHUSA-N -2 3 377.365 2.137 20 0 GEADHL COc1cccc([C@@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)C(=O)[O-])c1 ZINC000548531671 651079283 /nfs/dbraw/zinc/07/92/83/651079283.db2.gz TUKCIENKUODMDX-CQSZACIVSA-N -2 3 375.324 2.217 20 0 GEADHL Cc1cc(C)n(C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C(=O)[O-])n1 ZINC000548537818 651079550 /nfs/dbraw/zinc/07/95/50/651079550.db2.gz GNBPPPSEDXLOQN-GFCCVEGCSA-N -2 3 392.264 2.238 20 0 GEADHL Cc1cc(CS(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Br)on1 ZINC000548596711 651081441 /nfs/dbraw/zinc/08/14/41/651081441.db2.gz RYYSUCPXCMXJPD-UHFFFAOYSA-N -2 3 375.200 2.386 20 0 GEADHL C[C@H]([C@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-])C1CC1 ZINC000548992899 651091027 /nfs/dbraw/zinc/09/10/27/651091027.db2.gz UTVOJXUSPOQLQM-MADCSZMMSA-N -2 3 380.235 2.366 20 0 GEADHL O=C([O-])C[C@H](CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1)C(F)(F)F ZINC000556778868 651252282 /nfs/dbraw/zinc/25/22/82/651252282.db2.gz IRJPOLBXHQQGNA-ZETCQYMHSA-N -2 3 394.293 2.422 20 0 GEADHL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000643434139 651487082 /nfs/dbraw/zinc/48/70/82/651487082.db2.gz JGTGDLFLNZNNPA-VHSXEESVSA-N -2 3 393.237 2.473 20 0 GEADHL Cc1ccc([C@H]2OCCC[C@H]2[N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000571043425 651807994 /nfs/dbraw/zinc/80/79/94/651807994.db2.gz COUKSIWNDUMKPI-IUODEOHRSA-N -2 3 382.463 2.348 20 0 GEADHL Cc1nc(CC[N-]S(=O)(=O)c2cccnc2C(F)(F)F)sc1C(=O)[O-] ZINC000571307752 651825393 /nfs/dbraw/zinc/82/53/93/651825393.db2.gz ONWFPYDNBLFHSW-UHFFFAOYSA-N -2 3 395.384 2.085 20 0 GEADHL C[C@@](CCF)(NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000659215771 652349399 /nfs/dbraw/zinc/34/93/99/652349399.db2.gz NWZMGPLDPYIUOS-HNNXBMFYSA-N -2 3 385.189 2.223 20 0 GEADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1Br)C(F)F ZINC000579772098 652353791 /nfs/dbraw/zinc/35/37/91/652353791.db2.gz ODZAGWKVFYPWKM-ZCFIWIBFSA-N -2 3 390.177 2.223 20 0 GEADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cc(Br)ccc1F)C1CCC1 ZINC000663255859 652486894 /nfs/dbraw/zinc/48/68/94/652486894.db2.gz SBBIREBHSMHZFI-JTQLQIEISA-N -2 3 380.235 2.367 20 0 GEADHL C[C@@H]1CCCc2nc(S(=O)(=O)[N-]C[C@@H](CCC(=O)[O-])C(F)(F)F)cn21 ZINC000663293929 652490208 /nfs/dbraw/zinc/49/02/08/652490208.db2.gz MULJHSBBGXIEJB-NXEZZACHSA-N -2 3 383.392 2.102 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)[C@@H]1CCCO1 ZINC000630424967 652508054 /nfs/dbraw/zinc/50/80/54/652508054.db2.gz YIRPDFKATWFYNI-GZMMTYOYSA-N -2 3 398.662 2.013 20 0 GEADHL CN(C)C(=O)COc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])cc1 ZINC000584220258 652513780 /nfs/dbraw/zinc/51/37/80/652513780.db2.gz ARPQTXWILZAAIO-UHFFFAOYSA-N -2 3 384.841 2.313 20 0 GEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000584409138 652520209 /nfs/dbraw/zinc/52/02/09/652520209.db2.gz MATYLHQLGABBHL-WCQYABFASA-N -2 3 382.463 2.288 20 0 GEADHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CCC2)c(F)cc1Br ZINC000666156069 652568011 /nfs/dbraw/zinc/56/80/11/652568011.db2.gz JVDQIWUNMSIHLE-GFCCVEGCSA-N -2 3 380.235 2.428 20 0 GEADHL COC(=O)C1([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)CCCC1 ZINC000761244779 652638428 /nfs/dbraw/zinc/63/84/28/652638428.db2.gz RUTBTGCYMKMBNZ-UHFFFAOYSA-N -2 3 396.248 2.456 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCc2ccc(F)cc2F)c(F)cc1F ZINC000761277911 652640820 /nfs/dbraw/zinc/64/08/20/652640820.db2.gz VCALJIWRAHFUCV-UHFFFAOYSA-N -2 3 377.315 2.462 20 0 GEADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H](CC1CC1)C(=O)[O-] ZINC000806640407 653172001 /nfs/dbraw/zinc/17/20/01/653172001.db2.gz JRKWOFGDRMOTAN-SNVBAGLBSA-N -2 3 396.234 2.128 20 0 GEADHL COC(=O)c1sc(S(=O)(=O)[N-][C@H](CC2CC2)C(=O)[O-])c(C)c1Cl ZINC000806640676 653172100 /nfs/dbraw/zinc/17/21/00/653172100.db2.gz RJNVVSDFTJVQIL-MRVPVSSYSA-N -2 3 381.859 2.028 20 0 GEADHL COc1cccc(C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2F)C(=O)[O-])c1 ZINC000681561546 653185861 /nfs/dbraw/zinc/18/58/61/653185861.db2.gz QHUVNJOBFLPSEZ-CQSZACIVSA-N -2 3 387.816 2.462 20 0 GEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)C(F)F)cc2)c1 ZINC000775670427 653321436 /nfs/dbraw/zinc/32/14/36/653321436.db2.gz ZFBKCVSZBMAHIH-UHFFFAOYSA-N -2 3 393.389 2.198 20 0 GEADHL O=C([O-])[C@@H](CC(F)F)[N-]S(=O)(=O)c1cc2ccc(Cl)nc2cc1F ZINC000776505432 653353218 /nfs/dbraw/zinc/35/32/18/653353218.db2.gz JZOGEMZRFFZODE-SECBINFHSA-N -2 3 382.747 2.414 20 0 GEADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl)C(=O)[O-] ZINC000776539895 653355584 /nfs/dbraw/zinc/35/55/84/653355584.db2.gz QUGBLCZMFCQQLI-ZETCQYMHSA-N -2 3 384.237 2.169 20 0 GEADHL CC(C)C[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)C(=O)[O-] ZINC000837283390 653418081 /nfs/dbraw/zinc/41/80/81/653418081.db2.gz DZTJTMRVBGKTIS-VIFPVBQESA-N -2 3 385.667 2.275 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)[C@H](C)C(=O)[O-])c(Cl)cc1Cl ZINC000837290819 653421121 /nfs/dbraw/zinc/42/11/21/653421121.db2.gz CQDAFNKDGJSNFK-NKWVEPMBSA-N -2 3 384.237 2.168 20 0 GEADHL CC[C@H](CC[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C)C(=O)[O-] ZINC000837291930 653422074 /nfs/dbraw/zinc/42/20/74/653422074.db2.gz MKRVUYBWAGAMOU-MRVPVSSYSA-N -2 3 383.875 2.276 20 0 GEADHL O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000837292597 653422459 /nfs/dbraw/zinc/42/24/59/653422459.db2.gz JJXRVWCYWLQOAM-VIFPVBQESA-N -2 3 383.651 2.029 20 0 GEADHL O=C([O-])[C@H](CC1CCC1)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000837295051 653424308 /nfs/dbraw/zinc/42/43/08/653424308.db2.gz ZIJVRJBQACPJIE-JTQLQIEISA-N -2 3 397.678 2.419 20 0 GEADHL O=C(COC(=O)c1ccc(Br)c([O-])c1)[N-]C(=O)c1ccccc1 ZINC000778829929 653458922 /nfs/dbraw/zinc/45/89/22/653458922.db2.gz SUHDRHPWFUBTTR-UHFFFAOYSA-N -2 3 378.178 2.268 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cnc1Br ZINC000782917254 653672244 /nfs/dbraw/zinc/67/22/44/653672244.db2.gz JRTCCDYYWSAQMA-UHFFFAOYSA-N -3 3 387.211 2.357 20 0 GEADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]CCC[C@@H]2CCOC2)s1 ZINC000840895691 653699172 /nfs/dbraw/zinc/69/91/72/653699172.db2.gz SDOKUHBCGKNCGB-MRVPVSSYSA-N -2 3 398.300 2.304 20 0 GEADHL CCC(CC)[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000784896779 653701032 /nfs/dbraw/zinc/70/10/32/653701032.db2.gz NRMUXMQHTNFLAU-JTQLQIEISA-N -2 3 394.490 2.074 20 0 GEADHL CO[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)CC(C)C ZINC000841491563 653720679 /nfs/dbraw/zinc/72/06/79/653720679.db2.gz LJKGXRJIJJRVJQ-QMMMGPOBSA-N -2 3 384.248 2.080 20 0 GEADHL COC(=O)c1sc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])o2)c(C)c1Cl ZINC000788441487 653756404 /nfs/dbraw/zinc/75/64/04/653756404.db2.gz KSUDIURURAKXEJ-UHFFFAOYSA-N -2 3 393.826 2.266 20 0 GEADHL COC(=O)c1sc(S(=O)(=O)[N-]Cc2cc(C(=O)[O-])co2)c(C)c1Cl ZINC000788443544 653756791 /nfs/dbraw/zinc/75/67/91/653756791.db2.gz XXPFXRQBROABKC-UHFFFAOYSA-N -2 3 393.826 2.266 20 0 GEADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl)C(=O)OC ZINC000843288102 653783391 /nfs/dbraw/zinc/78/33/91/653783391.db2.gz NUMAZYXANOWTFH-ZETCQYMHSA-N -2 3 384.237 2.169 20 0 GEADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC2=O)C(F)(F)F ZINC000844800721 653819105 /nfs/dbraw/zinc/81/91/05/653819105.db2.gz MBZSAVJSKXTGHI-MRVPVSSYSA-N -2 3 399.774 2.400 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCOC3(CCCC3)C2)c(F)cc1F ZINC000844898095 653827156 /nfs/dbraw/zinc/82/71/56/653827156.db2.gz HYHKQPCIMGGLTD-JTQLQIEISA-N -2 3 375.393 2.433 20 0 GEADHL CC(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CCO1 ZINC000844900013 653828396 /nfs/dbraw/zinc/82/83/96/653828396.db2.gz YYXKYIDFXOXDRJ-DTWKUNHWSA-N -2 3 396.259 2.222 20 0 GEADHL CCc1ncc(S(=O)(=O)[N-][C@H]2CCSC3(CC(C(=O)[O-])C3)C2)s1 ZINC000899949823 654040836 /nfs/dbraw/zinc/04/08/36/654040836.db2.gz SHLLGSXOMBDFDB-XIRUVYRFSA-N -2 3 376.525 2.113 20 0 GEADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCOC[C@@H]2CC(=O)[O-])c1Cl ZINC000899949948 654041270 /nfs/dbraw/zinc/04/12/70/654041270.db2.gz MDRZHAXRHHJKOX-ONGXEEELSA-N -2 3 382.265 2.460 20 0 GEADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@H](c1ccccc1)C1CCOCC1 ZINC000829448246 654067928 /nfs/dbraw/zinc/06/79/28/654067928.db2.gz ZFCKTPQANAZWLF-CQSZACIVSA-N -2 3 382.463 2.288 20 0 GEADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccsc2)c1 ZINC000920315120 654210314 /nfs/dbraw/zinc/21/03/14/654210314.db2.gz IQCIVTWHUJKXIN-GFCCVEGCSA-N -2 3 387.410 2.168 20 0 GEADHL COC[C@H]([N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br)C(C)C ZINC000871888801 654273291 /nfs/dbraw/zinc/27/32/91/654273291.db2.gz BMOIOUKWQZAFCB-QMMMGPOBSA-N -2 3 386.289 2.158 20 0 GEADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H]1CC=C(C(=O)[O-])C1 ZINC000853069988 654276193 /nfs/dbraw/zinc/27/61/93/654276193.db2.gz UGRMGZGPTMXEPH-MRVPVSSYSA-N -2 3 394.218 2.049 20 0 GEADHL CSC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000906005726 654400251 /nfs/dbraw/zinc/40/02/51/654400251.db2.gz SLQQXMAFHVZEEQ-MRVPVSSYSA-N -2 3 388.692 2.197 20 0 GEADHL O=C([N-]C[C@H]1CCCN(Cc2ncc(Br)cc2[O-])C1)C(F)(F)F ZINC000894547479 654485254 /nfs/dbraw/zinc/48/52/54/654485254.db2.gz UOTGUZXPNYTJAJ-SECBINFHSA-N -2 3 396.207 2.440 20 0 GEADHL CC(C)Cn1[n-]c(CC(=O)NCc2ccc([O-])c(Br)c2)cc1=O ZINC000934944366 654867370 /nfs/dbraw/zinc/86/73/70/654867370.db2.gz IAONKWSJYMNKDV-UHFFFAOYSA-N -2 3 382.258 2.159 20 0 GEADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)s1 ZINC000123636262 532103440 /nfs/dbraw/zinc/10/34/40/532103440.db2.gz JHTYTNFVMCCOPW-UHFFFAOYSA-N -2 3 386.256 2.492 20 0 GEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)s1 ZINC000123636262 532103444 /nfs/dbraw/zinc/10/34/44/532103444.db2.gz JHTYTNFVMCCOPW-UHFFFAOYSA-N -2 3 386.256 2.492 20 0 GEADHL CC1(C)CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000127654762 532156291 /nfs/dbraw/zinc/15/62/91/532156291.db2.gz FTRAOBMDCCGQCQ-AWEZNQCLSA-N -2 3 378.491 2.444 20 0 GEADHL C[N-]S(=O)(=O)c1cc(C(=O)[N-]c2nnc(/C=C/c3ccco3)s2)co1 ZINC000134477551 532257727 /nfs/dbraw/zinc/25/77/27/532257727.db2.gz JYOSFMMSVWYZIC-SNAWJCMRSA-N -2 3 380.407 2.055 20 0 GEADHL Cc1nccn1CCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000185055819 532336779 /nfs/dbraw/zinc/33/67/79/532336779.db2.gz HIEGOJBUEUXIDG-UHFFFAOYSA-N -2 3 389.836 2.441 20 0 GEADHL Cc1noc(C)c1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Br)c1 ZINC000184963238 532336253 /nfs/dbraw/zinc/33/62/53/532336253.db2.gz AXHQRBOCMMHFAJ-UHFFFAOYSA-N -2 3 389.227 2.231 20 0 GEADHL CO[C@H](CS(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1)C1CCOCC1 ZINC000647125267 532368885 /nfs/dbraw/zinc/36/88/85/532368885.db2.gz JFALXGINODFCRW-CQSZACIVSA-N -2 3 377.846 2.222 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)[C@H]1CCOC2(CCC2)C1 ZINC000372268149 532379931 /nfs/dbraw/zinc/37/99/31/532379931.db2.gz OYGSKEUTEMTQHU-CABZTGNLSA-N -2 3 379.887 2.482 20 0 GEADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1CCOc2ccc(F)cc21 ZINC000516461443 532385782 /nfs/dbraw/zinc/38/57/82/532385782.db2.gz OQKDKPNRIIQNPL-SNVBAGLBSA-N -2 3 387.410 2.396 20 0 GEADHL CC(C)(C)OCC[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)C(=O)[O-] ZINC000516463287 532386756 /nfs/dbraw/zinc/38/67/56/532386756.db2.gz GAJVHAIMONSXJR-SECBINFHSA-N -2 3 384.376 2.037 20 0 GEADHL COc1cc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)(F)F)ccc1Cl ZINC000516631558 532389574 /nfs/dbraw/zinc/38/95/74/532389574.db2.gz DOULIXTVBIHIKO-ZETCQYMHSA-N -2 3 375.752 2.280 20 0 GEADHL CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)cc1 ZINC000427296998 532420481 /nfs/dbraw/zinc/42/04/81/532420481.db2.gz XQNZMGRWQPHWMH-UHFFFAOYSA-N -2 3 387.410 2.118 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1cc(F)ccc1F ZINC000681567176 532430727 /nfs/dbraw/zinc/43/07/27/532430727.db2.gz KMARNKXEVLDGBE-ZDUSSCGKSA-N -2 3 381.278 2.486 20 0 GEADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000681567942 532431145 /nfs/dbraw/zinc/43/11/45/532431145.db2.gz HEWGCVQDYFMHRC-LLVKDONJSA-N -2 3 378.328 2.414 20 0 GEADHL CCn1cc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)nc1C ZINC000681572839 532431566 /nfs/dbraw/zinc/43/15/66/532431566.db2.gz NHRNVDDWHWSASV-CYBMUJFWSA-N -2 3 385.873 2.402 20 0 GEADHL CN(CCC(=O)[O-])C(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000428041357 532441212 /nfs/dbraw/zinc/44/12/12/532441212.db2.gz PKBJIMBHWAONGE-UHFFFAOYSA-N -2 3 388.511 2.296 20 0 GEADHL O=C([O-])CCCNC(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000428095552 532443138 /nfs/dbraw/zinc/44/31/38/532443138.db2.gz KMCYOWYYGDPXAU-UHFFFAOYSA-N -2 3 388.511 2.344 20 0 GEADHL Cc1noc([C@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C(F)(F)F)c2)n1 ZINC000650435875 532447884 /nfs/dbraw/zinc/44/78/84/532447884.db2.gz UGLKCMGSVFPUIE-LURJTMIESA-N -2 3 379.316 2.135 20 0 GEADHL CO[C@@H](C)CS(=O)(=O)[N-]c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000282275262 532452720 /nfs/dbraw/zinc/45/27/20/532452720.db2.gz UKTIBOAXGGAYQU-ZDUSSCGKSA-N -2 3 384.479 2.264 20 0 GEADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000519073118 532454600 /nfs/dbraw/zinc/45/46/00/532454600.db2.gz TVNNDUCXDBRUHK-ZDUSSCGKSA-N -2 3 387.816 2.462 20 0 GEADHL COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])CC(C)(C)C)c1 ZINC000562321215 532462099 /nfs/dbraw/zinc/46/20/99/532462099.db2.gz WTDJQBSPTVVJGK-GFCCVEGCSA-N -2 3 375.418 2.170 20 0 GEADHL CCOC1(CS(=O)(=O)[N-]c2c(C)cc(F)cc2C(=O)[O-])CCOCC1 ZINC000629289864 532484451 /nfs/dbraw/zinc/48/44/51/532484451.db2.gz TZHHCIHESLVYNB-UHFFFAOYSA-N -2 3 375.418 2.160 20 0 GEADHL CSCC[C@@H]([N-]S(=O)(=O)c1ccc(Br)c(F)c1)C(=O)[O-] ZINC000230012397 532491652 /nfs/dbraw/zinc/49/16/52/532491652.db2.gz BKOYKVYBEBGOMX-SNVBAGLBSA-N -2 3 386.264 2.073 20 0 GEADHL O=C([O-])C1([N-]S(=O)(=O)c2cc(Br)ccc2Cl)CCOCC1 ZINC000374421911 532502716 /nfs/dbraw/zinc/50/27/16/532502716.db2.gz IFELTIYBRWXODN-UHFFFAOYSA-N -2 3 398.662 2.015 20 0 GEADHL O=C([O-])C1([N-]S(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)CC1 ZINC000282922145 532507074 /nfs/dbraw/zinc/50/70/74/532507074.db2.gz SRNCOOVTVGQDDF-GFCCVEGCSA-N -2 3 389.857 2.183 20 0 GEADHL CS(=O)(=O)[N-]c1nnc([N-]C(=O)c2cccc(F)c2Br)s1 ZINC000432410420 532538362 /nfs/dbraw/zinc/53/83/62/532538362.db2.gz OQGJRYMADOUFDP-UHFFFAOYSA-N -2 3 395.235 2.064 20 0 GEADHL O=C([O-])c1coc(C[N-]S(=O)(=O)c2ccc(F)cc2Br)c1 ZINC000526950817 532541825 /nfs/dbraw/zinc/54/18/25/532541825.db2.gz PDXJLHUSJQOIGA-UHFFFAOYSA-N -2 3 378.175 2.358 20 0 GEADHL COc1ccsc1S(=O)(=O)[N-]c1cc(C)ccc1[N-]S(C)(=O)=O ZINC000471118747 532542605 /nfs/dbraw/zinc/54/26/05/532542605.db2.gz JSKWSSIKCPZVNL-UHFFFAOYSA-N -2 3 376.481 2.237 20 0 GEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)c2ccccc2)c1 ZINC000594679469 532519577 /nfs/dbraw/zinc/51/95/77/532519577.db2.gz DXIYXASKFMDABW-YGRLFVJLSA-N -2 3 383.447 2.070 20 0 GEADHL CCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC)C(=O)[O-] ZINC000262338549 532589797 /nfs/dbraw/zinc/58/97/97/532589797.db2.gz CFKACHJVYQJXLD-PWSUYJOCSA-N -2 3 379.862 2.285 20 0 GEADHL C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1)C(=O)[O-] ZINC000262450966 532594833 /nfs/dbraw/zinc/59/48/33/532594833.db2.gz FPPFUYVXVSTPKV-JQWIXIFHSA-N -2 3 377.846 2.039 20 0 GEADHL COCC1(C[N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)CCC1 ZINC000284001504 532572363 /nfs/dbraw/zinc/57/23/63/532572363.db2.gz YXXRPQCCXFNRSF-UHFFFAOYSA-N -2 3 398.300 2.304 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)c(C)c1O ZINC000433598771 532573870 /nfs/dbraw/zinc/57/38/70/532573870.db2.gz HRZOVLOSGXVOJL-UHFFFAOYSA-N -2 3 388.442 2.320 20 0 GEADHL CO[C@@H](C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)CC(=O)[O-] ZINC000530435877 532619864 /nfs/dbraw/zinc/61/98/64/532619864.db2.gz VZPUJOVRKZKOMG-LLVKDONJSA-N -2 3 390.870 2.232 20 0 GEADHL CC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1)C(=O)[O-] ZINC000566172852 532597707 /nfs/dbraw/zinc/59/77/07/532597707.db2.gz HAYSTGQQQIPTJL-MEDUHNTESA-N -2 3 391.873 2.287 20 0 GEADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C[C@H](C)Oc1cccc(F)c1 ZINC000566176419 532597820 /nfs/dbraw/zinc/59/78/20/532597820.db2.gz HRNPADMWXCRVHN-VIFPVBQESA-N -2 3 389.426 2.340 20 0 GEADHL COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C1(CC(=O)[O-])CC1 ZINC000566313005 532603787 /nfs/dbraw/zinc/60/37/87/532603787.db2.gz ZNKDERNCQWAUEM-SNVBAGLBSA-N -2 3 377.846 2.039 20 0 GEADHL COc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2c(F)cccc2F)c(F)c1 ZINC000567008242 532635434 /nfs/dbraw/zinc/63/54/34/532635434.db2.gz MVRQEUUOBHMELE-AWEZNQCLSA-N -2 3 375.324 2.217 20 0 GEADHL O=C([O-])CSCC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000285013250 532638620 /nfs/dbraw/zinc/63/86/20/532638620.db2.gz HNRLYEXDCSERDO-UHFFFAOYSA-N -2 3 377.793 2.455 20 0 GEADHL CCSCC[C@H](C)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000437724643 532663040 /nfs/dbraw/zinc/66/30/40/532663040.db2.gz WSZKRABNGJTFHJ-JTQLQIEISA-N -2 3 384.520 2.007 20 0 GEADHL CC(C)(C)OC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC000285299666 532667521 /nfs/dbraw/zinc/66/75/21/532667521.db2.gz YBYNPFIPRUDNBY-JTQLQIEISA-N -2 3 387.351 2.391 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CCC2CCCCC2)c(F)c1 ZINC000477130478 532646960 /nfs/dbraw/zinc/64/69/60/532646960.db2.gz ADWYNABDDHEXMA-UHFFFAOYSA-N -2 3 378.491 2.446 20 0 GEADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2cccc(N3CCCC3=O)c2)c1 ZINC000298428242 532649575 /nfs/dbraw/zinc/64/95/75/532649575.db2.gz UNJXMPDWJMTULB-UHFFFAOYSA-N -2 3 380.447 2.052 20 0 GEADHL CCC[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)c1nnn[n-]1 ZINC000532335062 532650816 /nfs/dbraw/zinc/65/08/16/532650816.db2.gz AUIZUAJXGUZXND-LLVKDONJSA-N -2 3 391.229 2.075 20 0 GEADHL CCC[C@@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)c1nn[n-]n1 ZINC000532335062 532650822 /nfs/dbraw/zinc/65/08/22/532650822.db2.gz AUIZUAJXGUZXND-LLVKDONJSA-N -2 3 391.229 2.075 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H](C(=O)[O-])c3ccccc32)s1 ZINC000567470966 532655257 /nfs/dbraw/zinc/65/52/57/532655257.db2.gz VJHBVRPETSZMJM-NWDGAFQWSA-N -2 3 381.431 2.126 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000377923803 532674489 /nfs/dbraw/zinc/67/44/89/532674489.db2.gz YAFMYLOSVIQBGU-UHFFFAOYSA-N -3 3 379.785 2.019 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000377923803 532674494 /nfs/dbraw/zinc/67/44/94/532674494.db2.gz YAFMYLOSVIQBGU-UHFFFAOYSA-N -3 3 379.785 2.019 20 0 GEADHL CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)[N-]c1ccccc1F ZINC000536389031 532691499 /nfs/dbraw/zinc/69/14/99/532691499.db2.gz MXDIUZZKWOGDDO-UHFFFAOYSA-N -2 3 388.442 2.397 20 0 GEADHL COc1ccc(Br)c(S(=O)(=O)[N-][C@H](C)[C@@H](C(=O)[O-])C(C)C)c1 ZINC000569686241 532702563 /nfs/dbraw/zinc/70/25/63/532702563.db2.gz FIEKWVJBAIPJSW-RNCFNFMXSA-N -2 3 394.287 2.481 20 0 GEADHL COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000387564767 532705191 /nfs/dbraw/zinc/70/51/91/532705191.db2.gz VDAGDPVGHSNUIT-GXSJLCMTSA-N -2 3 392.271 2.379 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]2C2CCCCC2)c(F)c1 ZINC000608032602 532709167 /nfs/dbraw/zinc/70/91/67/532709167.db2.gz RLYWFTANBSXLHJ-UKRRQHHQSA-N -2 3 390.502 2.444 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cnc2onc(C3CC3)c2c1)c1cccs1 ZINC000646042621 532721652 /nfs/dbraw/zinc/72/16/52/532721652.db2.gz FWOPCXFEAUMBKX-CYBMUJFWSA-N -2 3 379.419 2.266 20 0 GEADHL O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cc(F)ccc1[O-] ZINC000442972164 532737748 /nfs/dbraw/zinc/73/77/48/532737748.db2.gz XLLFBJFZICVBBW-UHFFFAOYSA-N -2 3 390.795 2.032 20 0 GEADHL C=CCC[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1OC)C(=O)[O-] ZINC000316362476 532783146 /nfs/dbraw/zinc/78/31/46/532783146.db2.gz QDMSMEBFPLHEFM-SNVBAGLBSA-N -2 3 378.244 2.155 20 0 GEADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1C=C[C@@H](C(=O)[O-])C1 ZINC000316910500 532783701 /nfs/dbraw/zinc/78/37/01/532783701.db2.gz YPIIYCDCJMSVFH-KOLCDFICSA-N -2 3 390.255 2.155 20 0 GEADHL COc1ccc(Br)cc1S(=O)(=O)[N-]CC1(C(=O)[O-])CCCC1 ZINC000317231686 532783714 /nfs/dbraw/zinc/78/37/14/532783714.db2.gz ZZTULDGVLJWFPD-UHFFFAOYSA-N -2 3 392.271 2.381 20 0 GEADHL Cc1nc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2c(Cl)cccc2Cl)cn1C ZINC000547910651 532788416 /nfs/dbraw/zinc/78/84/16/532788416.db2.gz BGJNLLGTUGUSGC-GFCCVEGCSA-N -2 3 378.237 2.140 20 0 GEADHL O=C([O-])[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000326635590 532790101 /nfs/dbraw/zinc/79/01/01/532790101.db2.gz WESMVOFBBKEFSM-LURJTMIESA-N -2 3 381.250 2.269 20 0 GEADHL CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c([N-]S(C)(=O)=O)c2)c1 ZINC000326660883 532790424 /nfs/dbraw/zinc/79/04/24/532790424.db2.gz HFHNSDHRAJRRHI-UHFFFAOYSA-N -2 3 386.426 2.201 20 0 GEADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000327047402 532791526 /nfs/dbraw/zinc/79/15/26/532791526.db2.gz XXVGOZKNBWBWTG-UHFFFAOYSA-N -3 3 385.781 2.302 20 0 GEADHL CN1C(=O)Cc2cc(S(=O)(=O)[N-]c3c(Cl)cccc3C(=O)[O-])ccc21 ZINC000327703797 532792487 /nfs/dbraw/zinc/79/24/87/532792487.db2.gz XZYNNGFPLVYQDR-UHFFFAOYSA-N -2 3 380.809 2.358 20 0 GEADHL CCOC(=O)[C@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000273703814 532831463 /nfs/dbraw/zinc/83/14/63/532831463.db2.gz OBQQQJWGTJWOTQ-SSDOTTSWSA-N -2 3 384.237 2.169 20 0 GEADHL CO[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br)C(C)C ZINC000273720381 532832650 /nfs/dbraw/zinc/83/26/50/532832650.db2.gz MHUWYRRLEMIVAG-SSDOTTSWSA-N -2 3 386.289 2.158 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)(C)C)cc1Cl ZINC000274878444 532858521 /nfs/dbraw/zinc/85/85/21/532858521.db2.gz CDVZTHVXWDRKPB-GFCCVEGCSA-N -2 3 380.825 2.215 20 0 GEADHL CSCC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC000274944263 532860156 /nfs/dbraw/zinc/86/01/56/532860156.db2.gz RORSFOYVJGMJMF-VIFPVBQESA-N -2 3 375.365 2.329 20 0 GEADHL CCC(=O)C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000275025475 532861675 /nfs/dbraw/zinc/86/16/75/532861675.db2.gz PHHAFMQARVPWFH-JTQLQIEISA-N -2 3 398.662 2.203 20 0 GEADHL COC(=O)Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCCCC[C@@H]2C(=O)[O-])s1 ZINC000275055425 532863038 /nfs/dbraw/zinc/86/30/38/532863038.db2.gz TUEAUKPUNNBJOY-QWHCGFSZSA-N -2 3 389.495 2.166 20 0 GEADHL CCO[C@@H]1C[C@]([N-]S(=O)(=O)c2cc(C)c(F)cc2F)(C(=O)[O-])C1(C)C ZINC000275588346 532879718 /nfs/dbraw/zinc/87/97/18/532879718.db2.gz IAQGTXJKBBZCJN-CJNGLKHVSA-N -2 3 377.409 2.210 20 0 GEADHL COCc1nc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2C)cs1 ZINC000290618341 532885433 /nfs/dbraw/zinc/88/54/33/532885433.db2.gz KDDVIWNCUVSGPR-UHFFFAOYSA-N -2 3 390.870 2.428 20 0 GEADHL CC(C)(C)OC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-] ZINC000290863440 532891082 /nfs/dbraw/zinc/89/10/82/532891082.db2.gz AFOSPIOXIAZBSY-ZETCQYMHSA-N -2 3 375.390 2.314 20 0 GEADHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2c(C)nn(C)c2C)sc1Cl ZINC000276473792 532896622 /nfs/dbraw/zinc/89/66/22/532896622.db2.gz QZRNVXMZXAGHTE-LLVKDONJSA-N -2 3 377.875 2.164 20 0 GEADHL C[C@@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)[N-]OC/C=C/Cl ZINC000292106394 532913230 /nfs/dbraw/zinc/91/32/30/532913230.db2.gz CNJJICUJTGHTBZ-ILFKPUCNSA-N -2 3 386.779 2.173 20 0 GEADHL CCOC(=O)C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1[O-])C(F)(F)F ZINC000594699990 450596684 /nfs/dbraw/zinc/59/66/84/450596684.db2.gz OKBSNJDNGCWSHL-VIFPVBQESA-N -2 3 375.752 2.208 20 0 GEADHL CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1C ZINC000735481130 598842658 /nfs/dbraw/zinc/84/26/58/598842658.db2.gz FEDBWJKKQMTZQL-UHFFFAOYSA-N -2 3 390.400 2.073 20 0 GEADHL CC(=O)Nc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1C ZINC000735481130 598842660 /nfs/dbraw/zinc/84/26/60/598842660.db2.gz FEDBWJKKQMTZQL-UHFFFAOYSA-N -2 3 390.400 2.073 20 0 GEADHL CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000735484421 598842930 /nfs/dbraw/zinc/84/29/30/598842930.db2.gz LUCKMIOAVGVNRB-UHFFFAOYSA-N -2 3 390.400 2.073 20 0 GEADHL CC(=O)Nc1ccc(C)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000735484421 598842932 /nfs/dbraw/zinc/84/29/32/598842932.db2.gz LUCKMIOAVGVNRB-UHFFFAOYSA-N -2 3 390.400 2.073 20 0 GEADHL Cc1ccc2oc(C(=O)[N-]S(=O)(=O)c3cc(-c4nnn[n-]4)ccc3C)cc2c1 ZINC000737374123 598977145 /nfs/dbraw/zinc/97/71/45/598977145.db2.gz KHJZEVXHHSJIPL-UHFFFAOYSA-N -2 3 397.416 2.348 20 0 GEADHL Cc1ccc2oc(C(=O)[N-]S(=O)(=O)c3cc(-c4nn[n-]n4)ccc3C)cc2c1 ZINC000737374123 598977147 /nfs/dbraw/zinc/97/71/47/598977147.db2.gz KHJZEVXHHSJIPL-UHFFFAOYSA-N -2 3 397.416 2.348 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cccc(Br)n1 ZINC000737300605 599192577 /nfs/dbraw/zinc/19/25/77/599192577.db2.gz DASJTTNFCCTSFR-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL CCOc1ccc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])cc1C(=O)[O-] ZINC000818244804 597315212 /nfs/dbraw/zinc/31/52/12/597315212.db2.gz UCLARUJJDGUWRG-UHFFFAOYSA-N -3 3 379.390 2.211 20 0 GEADHL O=C([O-])[C@H]1CCN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C1 ZINC000821400025 597654440 /nfs/dbraw/zinc/65/44/40/597654440.db2.gz WDEHIPUYQXKNNJ-FUHWJXTLSA-N -2 3 382.416 2.187 20 0 GEADHL CC(C)[C@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C(=O)[O-] ZINC000820049101 597655301 /nfs/dbraw/zinc/65/53/01/597655301.db2.gz BQFVJDJMDLRUPU-HKUYNNGSSA-N -2 3 384.432 2.479 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc(C(=O)[O-])cc2)cc1OC ZINC000506768142 598154879 /nfs/dbraw/zinc/15/48/79/598154879.db2.gz UNCFQVDXJWZYQB-UHFFFAOYSA-N -2 3 378.406 2.407 20 0 GEADHL COc1cc(F)c(S(=O)(=O)[N-]c2cc(-c3nnn[n-]3)ccc2C)c(F)c1 ZINC000737054207 598366349 /nfs/dbraw/zinc/36/63/49/598366349.db2.gz NVQZTVNBEOOBMC-UHFFFAOYSA-N -2 3 381.364 2.263 20 0 GEADHL COc1cc(F)c(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2C)c(F)c1 ZINC000737054207 598366351 /nfs/dbraw/zinc/36/63/51/598366351.db2.gz NVQZTVNBEOOBMC-UHFFFAOYSA-N -2 3 381.364 2.263 20 0 GEADHL Cn1c2ccc(Cl)cc2nc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737594815 598416361 /nfs/dbraw/zinc/41/63/61/598416361.db2.gz AVYQSORHZQKOEX-UHFFFAOYSA-N -2 3 389.828 2.208 20 0 GEADHL Cn1c2ccc(Cl)cc2nc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737594815 598416363 /nfs/dbraw/zinc/41/63/63/598416363.db2.gz AVYQSORHZQKOEX-UHFFFAOYSA-N -2 3 389.828 2.208 20 0 GEADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000736634526 598499960 /nfs/dbraw/zinc/49/99/60/598499960.db2.gz JUDFIZKKUZXBGY-UHFFFAOYSA-N -2 3 387.421 2.096 20 0 GEADHL Cn1nccc1S(=O)(=O)[N-]c1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737629509 598556980 /nfs/dbraw/zinc/55/69/80/598556980.db2.gz WTBRMADLHJSFTR-UHFFFAOYSA-N -2 3 397.420 2.193 20 0 GEADHL Cn1nccc1S(=O)(=O)[N-]c1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737629509 598556982 /nfs/dbraw/zinc/55/69/82/598556982.db2.gz WTBRMADLHJSFTR-UHFFFAOYSA-N -2 3 397.420 2.193 20 0 GEADHL CCc1cc(-c2nn[n-]n2)c(NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)s1 ZINC000736679401 598566449 /nfs/dbraw/zinc/56/64/49/598566449.db2.gz SRVMSSKOWHJUPX-UHFFFAOYSA-N -2 3 398.452 2.037 20 0 GEADHL CC(C)CCOc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735820874 598637090 /nfs/dbraw/zinc/63/70/90/598637090.db2.gz YREJVVIHJXPZCM-UHFFFAOYSA-N -2 3 388.453 2.487 20 0 GEADHL Cc1ccc(C(C)(C)C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000737318859 598727965 /nfs/dbraw/zinc/72/79/65/598727965.db2.gz YKWMDSCPRQZIRI-UHFFFAOYSA-N -2 3 399.476 2.099 20 0 GEADHL Cc1ccc(C(C)(C)C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000737318859 598727967 /nfs/dbraw/zinc/72/79/67/598727967.db2.gz YKWMDSCPRQZIRI-UHFFFAOYSA-N -2 3 399.476 2.099 20 0 GEADHL C[C@H](NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820323608 599298771 /nfs/dbraw/zinc/29/87/71/599298771.db2.gz YMMJQIKSQHIGLR-RBZFPXEDSA-N -2 3 379.420 2.477 20 0 GEADHL C[C@H](NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820323608 599298774 /nfs/dbraw/zinc/29/87/74/599298774.db2.gz YMMJQIKSQHIGLR-RBZFPXEDSA-N -2 3 379.420 2.477 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1C(F)(F)F ZINC000822209576 599306069 /nfs/dbraw/zinc/30/60/69/599306069.db2.gz OQWCWMKNZVPKTF-UHFFFAOYSA-N -2 3 384.343 2.390 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1C(F)(F)F ZINC000822209576 599306071 /nfs/dbraw/zinc/30/60/71/599306071.db2.gz OQWCWMKNZVPKTF-UHFFFAOYSA-N -2 3 384.343 2.390 20 0 GEADHL O=S(=O)([N-]c1cccc(Oc2nccnc2-c2nnn[n-]2)c1)c1ccccc1 ZINC000823589063 599580880 /nfs/dbraw/zinc/58/08/80/599580880.db2.gz KXZRWBJCCTXEKZ-UHFFFAOYSA-N -2 3 395.404 2.250 20 0 GEADHL O=S(=O)([N-]c1cccc(Oc2nccnc2-c2nn[n-]n2)c1)c1ccccc1 ZINC000823589063 599580883 /nfs/dbraw/zinc/58/08/83/599580883.db2.gz KXZRWBJCCTXEKZ-UHFFFAOYSA-N -2 3 395.404 2.250 20 0 GEADHL CCc1ccc([C@@H](C)CC(=O)[N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736691568 599618055 /nfs/dbraw/zinc/61/80/55/599618055.db2.gz XGDWBVBSHDONGO-ZDUSSCGKSA-N -2 3 399.476 2.428 20 0 GEADHL CCc1ccc([C@@H](C)CC(=O)[N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736691568 599618057 /nfs/dbraw/zinc/61/80/57/599618057.db2.gz XGDWBVBSHDONGO-ZDUSSCGKSA-N -2 3 399.476 2.428 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)[C@H]1C[C@H]1C1CCCCC1 ZINC000823285058 599620070 /nfs/dbraw/zinc/62/00/70/599620070.db2.gz MSFGMMUABDHWDP-HOTGVXAUSA-N -2 3 389.481 2.029 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)[C@H]1C[C@H]1C1CCCCC1 ZINC000823285058 599620071 /nfs/dbraw/zinc/62/00/71/599620071.db2.gz MSFGMMUABDHWDP-HOTGVXAUSA-N -2 3 389.481 2.029 20 0 GEADHL C[C@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000819865767 599620492 /nfs/dbraw/zinc/62/04/92/599620492.db2.gz HKGISRTZOWGFQY-JTQLQIEISA-N -2 3 391.840 2.129 20 0 GEADHL C[C@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000819865767 599620493 /nfs/dbraw/zinc/62/04/93/599620493.db2.gz HKGISRTZOWGFQY-JTQLQIEISA-N -2 3 391.840 2.129 20 0 GEADHL O=C([O-])Nc1cc(NC(=O)NCCNC(=O)c2ccc([O-])cc2)ccc1F ZINC000740009013 599715292 /nfs/dbraw/zinc/71/52/92/599715292.db2.gz VIRYPRMVLLKBTQ-UHFFFAOYSA-N -2 3 376.344 2.173 20 0 GEADHL O=C([O-])CC[N-]S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC000484581633 599768889 /nfs/dbraw/zinc/76/88/89/599768889.db2.gz FJYMHWZOIXASOK-UHFFFAOYSA-N -2 3 391.268 2.326 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCNc2ccc(C(F)(F)F)cn2)o1 ZINC000740175764 599771372 /nfs/dbraw/zinc/77/13/72/599771372.db2.gz XUCQBYGRORQTJK-UHFFFAOYSA-N -2 3 393.343 2.172 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2nn(-c3ccccc3)c3c2CCC3)o1 ZINC000740177155 599772851 /nfs/dbraw/zinc/77/28/51/599772851.db2.gz HSROOJGLWFJJJZ-UHFFFAOYSA-N -2 3 387.417 2.131 20 0 GEADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-]CCCCC(=O)[O-] ZINC000737840498 599774441 /nfs/dbraw/zinc/77/44/41/599774441.db2.gz WOAUBHLEYJQFPB-UHFFFAOYSA-N -2 3 384.223 2.130 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCc2cc(Br)ccc2F)o1 ZINC000740176505 599775020 /nfs/dbraw/zinc/77/50/20/599775020.db2.gz JSABDRCVEKXCRX-UHFFFAOYSA-N -2 3 392.202 2.400 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(Br)c(F)c2)o1 ZINC000740176445 599775928 /nfs/dbraw/zinc/77/59/28/599775928.db2.gz DGFJRSLZCMTSOL-UHFFFAOYSA-N -2 3 378.175 2.358 20 0 GEADHL CCOC(=O)c1oc2ccccc2c1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000737156151 599777993 /nfs/dbraw/zinc/77/79/93/599777993.db2.gz GWJUYZUHVHWLKM-UHFFFAOYSA-N -2 3 393.373 2.379 20 0 GEADHL O=C([O-])c1sc2ccccc2c1CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000739436982 599810446 /nfs/dbraw/zinc/81/04/46/599810446.db2.gz YFBCZHCGJKBHNG-UHFFFAOYSA-N -2 3 380.381 2.413 20 0 GEADHL CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000738202613 599810614 /nfs/dbraw/zinc/81/06/14/599810614.db2.gz JMXNKPBWRBOPST-HNNXBMFYSA-N -2 3 384.413 2.238 20 0 GEADHL Cc1nc(COc2ccc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)cc2)no1 ZINC000594578305 599838467 /nfs/dbraw/zinc/83/84/67/599838467.db2.gz RGUPHTQHIQFOQE-UHFFFAOYSA-N -2 3 389.389 2.456 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2c(F)cccc2-n2cccn2)ccc1O ZINC000740087626 600058615 /nfs/dbraw/zinc/05/86/15/600058615.db2.gz IOPJDHNFFNDPKI-UHFFFAOYSA-N -2 3 377.353 2.216 20 0 GEADHL CC[C@]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C)(C(=O)OC)c1ccccc1 ZINC000736920385 600135443 /nfs/dbraw/zinc/13/54/43/600135443.db2.gz MOAPRBQUAHRWNP-LJQANCHMSA-N -2 3 391.445 2.450 20 0 GEADHL CC[C@@]([N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1)(C(=O)OC)c1ccccc1 ZINC000736920170 600232854 /nfs/dbraw/zinc/23/28/54/600232854.db2.gz JBTYRXAZTBLPAU-IBGZPJMESA-N -2 3 391.445 2.283 20 0 GEADHL COC(=O)N(C)Cc1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000737630702 600300425 /nfs/dbraw/zinc/30/04/25/600300425.db2.gz GCMNIOSHNYMXKN-UHFFFAOYSA-N -2 3 394.405 2.089 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C(=O)[O-])cc2)cc1C(=O)[O-] ZINC000738063518 600300718 /nfs/dbraw/zinc/30/07/18/600300718.db2.gz ANNWHNJLVVCFLK-UHFFFAOYSA-N -3 3 394.405 2.304 20 0 GEADHL CC(C)C[C@H](CNC(=O)OC(C)(C)C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736404475 600346347 /nfs/dbraw/zinc/34/63/47/600346347.db2.gz CDADCWLFPKXONY-LLVKDONJSA-N -2 3 390.458 2.196 20 0 GEADHL O=C([O-])CCCOc1ccc(CN/C=C2/C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000739683305 600493600 /nfs/dbraw/zinc/49/36/00/600493600.db2.gz SZMCWGZHQRDJAP-QGOAFFKASA-N -2 3 380.400 2.331 20 0 GEADHL Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCc1ccc(C(=O)[O-])o1 ZINC000738837428 600498854 /nfs/dbraw/zinc/49/88/54/600498854.db2.gz BAHZMHWSVWJUNG-UHFFFAOYSA-N -2 3 382.376 2.093 20 0 GEADHL COC(=O)CCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cc1 ZINC000517153065 600545134 /nfs/dbraw/zinc/54/51/34/600545134.db2.gz ANRRMRJELRQNJN-UHFFFAOYSA-N -2 3 393.417 2.300 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC[C@@H]2CCCO2)c(F)cc1Br ZINC000740088354 600633118 /nfs/dbraw/zinc/63/31/18/600633118.db2.gz UADABLJPFDRDPW-QMMMGPOBSA-N -2 3 396.234 2.134 20 0 GEADHL COC(=O)C[C@@H]([N-]S(=O)(=O)c1csc(C(=O)[O-])c1)c1cccs1 ZINC000320411132 600699858 /nfs/dbraw/zinc/69/98/58/600699858.db2.gz HSNYCEHSROPDFR-SECBINFHSA-N -2 3 375.449 2.091 20 0 GEADHL COC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F)C(C)C ZINC000831654826 600763917 /nfs/dbraw/zinc/76/39/17/600763917.db2.gz HOYSUHKGPGPANK-LLVKDONJSA-N -2 3 398.250 2.236 20 0 GEADHL C[C@@H]([N-]S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1)c1nc(C(C)(C)C)no1 ZINC000575800797 600799279 /nfs/dbraw/zinc/79/92/79/600799279.db2.gz ZZQHMXDEJFMEFW-LLVKDONJSA-N -2 3 397.453 2.260 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)ccc1-n1cnnn1 ZINC000738463842 600888307 /nfs/dbraw/zinc/88/83/07/600888307.db2.gz XMFAUCMBUAOZRF-UHFFFAOYSA-N -2 3 393.812 2.123 20 0 GEADHL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])c(F)cc1Br ZINC000738822834 600898380 /nfs/dbraw/zinc/89/83/80/600898380.db2.gz DDONJWVDORGMEZ-UHFFFAOYSA-N -2 3 392.206 2.427 20 0 GEADHL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000524812642 600899314 /nfs/dbraw/zinc/89/93/14/600899314.db2.gz CYVDXEPMVGQRQP-UHFFFAOYSA-N -3 3 393.417 2.313 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2cnn(-c3ccccc3)c2)c1F ZINC000833293989 600992799 /nfs/dbraw/zinc/99/27/99/600992799.db2.gz KMXOVEIZPAIOPT-UHFFFAOYSA-N -2 3 393.371 2.327 20 0 GEADHL COc1cc(OC)c([N-]S(=O)(=O)Cc2ccccc2C(=O)[O-])c(C(=O)[O-])c1 ZINC000737900546 601120489 /nfs/dbraw/zinc/12/04/89/601120489.db2.gz WLVVVVZBWYAANP-UHFFFAOYSA-N -3 3 395.389 2.042 20 0 GEADHL COc1ccc([C@@H](CC(=O)[O-])[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000013195902 601187387 /nfs/dbraw/zinc/18/73/87/601187387.db2.gz ZLCVORAGYQUTTK-CYBMUJFWSA-N -2 3 380.378 2.098 20 0 GEADHL Cc1nc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(O)c(C(=O)[O-])c3)c2)n[nH]1 ZINC000832990942 601205722 /nfs/dbraw/zinc/20/57/22/601205722.db2.gz NNYXNOZJCJYWEJ-UHFFFAOYSA-N -2 3 388.405 2.293 20 0 GEADHL CCN(CC)C(=O)C1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)CCCCC1 ZINC000829642997 601217455 /nfs/dbraw/zinc/21/74/55/601217455.db2.gz RWGMWLBYVGMKLD-UHFFFAOYSA-N -2 3 386.470 2.136 20 0 GEADHL CC(C)(O)COc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1 ZINC000485269963 601224004 /nfs/dbraw/zinc/22/40/04/601224004.db2.gz JKRNHRXJTUEBQD-UHFFFAOYSA-N -2 3 379.434 2.264 20 0 GEADHL Cc1cc(Br)c(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)s1 ZINC000832857880 601270378 /nfs/dbraw/zinc/27/03/78/601270378.db2.gz CMQUDIIDWXABPE-UHFFFAOYSA-N -2 3 398.300 2.121 20 0 GEADHL Cc1ccc(CC(=O)[N-]OCC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)cc1 ZINC000832928786 601351698 /nfs/dbraw/zinc/35/16/98/601351698.db2.gz JHMNEKSSZGFKDS-UHFFFAOYSA-N -2 3 388.445 2.472 20 0 GEADHL C[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)OC/C=C(/C)C(=O)[O-])c1Cl ZINC000831038271 601356535 /nfs/dbraw/zinc/35/65/35/601356535.db2.gz LAPQUMNOIWVCCE-ALCCZGGFSA-N -2 3 382.221 2.089 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(Cl)cc2)s1 ZINC000831444933 601387512 /nfs/dbraw/zinc/38/75/12/601387512.db2.gz WWYXGMNSDKLFMQ-LBPRGKRZSA-N -2 3 389.838 2.292 20 0 GEADHL COC(=O)[C@H]([N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000831078413 601387648 /nfs/dbraw/zinc/38/76/48/601387648.db2.gz LGAZVCVUVOBJRL-OAHLLOKOSA-N -2 3 397.836 2.372 20 0 GEADHL COCCC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000831671427 601393495 /nfs/dbraw/zinc/39/34/95/601393495.db2.gz TUXPEAJFOQNVBC-UHFFFAOYSA-N -2 3 398.250 2.380 20 0 GEADHL CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)o1 ZINC000829881650 601401466 /nfs/dbraw/zinc/40/14/66/601401466.db2.gz RKUWPOOOAFGASH-UHFFFAOYSA-N -2 3 387.797 2.286 20 0 GEADHL CC[S@](=O)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000830145287 601443081 /nfs/dbraw/zinc/44/30/81/601443081.db2.gz NTNQIIQAJZWKFG-MZEXLTETSA-N -2 3 395.449 2.021 20 0 GEADHL O=C([O-])CCc1nnc([N-]C(=O)c2ncccc2OCC(F)(F)F)s1 ZINC000833241373 601565662 /nfs/dbraw/zinc/56/56/62/601565662.db2.gz AAJKNNSLAAAEJV-UHFFFAOYSA-N -2 3 376.316 2.144 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCN(c3c(F)cccc3F)C2)cc1C(=O)[O-] ZINC000573115736 601587035 /nfs/dbraw/zinc/58/70/35/601587035.db2.gz KSMQALLJXBWRIV-SNVBAGLBSA-N -2 3 386.376 2.122 20 0 GEADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@H](CC(=O)[O-])C1CC1 ZINC000776575661 601613203 /nfs/dbraw/zinc/61/32/03/601613203.db2.gz TUJIBOXSVJXXJJ-SNVBAGLBSA-N -2 3 396.234 2.128 20 0 GEADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C1CC1 ZINC000776575655 601613206 /nfs/dbraw/zinc/61/32/06/601613206.db2.gz TUJIBOXSVJXXJJ-JTQLQIEISA-N -2 3 396.234 2.128 20 0 GEADHL CN1CCN(c2ccccc2[N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])CC1 ZINC000830960679 601847779 /nfs/dbraw/zinc/84/77/79/601847779.db2.gz WXLKRDSAQNXPCV-UHFFFAOYSA-N -2 3 393.440 2.077 20 0 GEADHL C[C@H](C[C@H](O)c1ccccc1)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000827403285 601884049 /nfs/dbraw/zinc/88/40/49/601884049.db2.gz ALCYOBQYXNJYIZ-MFKMUULPSA-N -2 3 385.388 2.454 20 0 GEADHL Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000738974892 601944753 /nfs/dbraw/zinc/94/47/53/601944753.db2.gz HZRQLNALFJUBJR-CQSZACIVSA-N -2 3 399.403 2.222 20 0 GEADHL O=C([O-])N1CCC[C@H](C[N-]S(=O)(=O)c2cc(Br)ccc2F)C1 ZINC000740514070 601988827 /nfs/dbraw/zinc/98/88/27/601988827.db2.gz XMKUFQCOZJNUDA-SECBINFHSA-N -2 3 395.250 2.257 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000826303815 607538375 /nfs/dbraw/zinc/53/83/75/607538375.db2.gz GZCUXXLNEWZJMI-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000826303815 607538376 /nfs/dbraw/zinc/53/83/76/607538376.db2.gz GZCUXXLNEWZJMI-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL CC(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000761321417 602161520 /nfs/dbraw/zinc/16/15/20/602161520.db2.gz XVYMOKDCPNZISN-LDYMZIIASA-N -2 3 396.259 2.080 20 0 GEADHL C[C@@H](CCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000824400649 607559167 /nfs/dbraw/zinc/55/91/67/607559167.db2.gz JRWQUNPTMWWXLV-AWEZNQCLSA-N -2 3 399.476 2.397 20 0 GEADHL C[C@@H](CCC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000824400649 607559168 /nfs/dbraw/zinc/55/91/68/607559168.db2.gz JRWQUNPTMWWXLV-AWEZNQCLSA-N -2 3 399.476 2.397 20 0 GEADHL O=C([O-])N[C@@H](CCC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000740536666 602501018 /nfs/dbraw/zinc/50/10/18/602501018.db2.gz HRPHJKGWIZLSOV-INIZCTEOSA-N -2 3 380.408 2.272 20 0 GEADHL O=C([O-])N[C@@H](CCC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000740536666 602501020 /nfs/dbraw/zinc/50/10/20/602501020.db2.gz HRPHJKGWIZLSOV-INIZCTEOSA-N -2 3 380.408 2.272 20 0 GEADHL O=C([O-])N1CCCc2cc(NC(=O)NCCNC(=O)c3ccc([O-])cc3)ccc21 ZINC000740441884 602605420 /nfs/dbraw/zinc/60/54/20/602605420.db2.gz PBILRYKOEAMCFF-UHFFFAOYSA-N -2 3 398.419 2.374 20 0 GEADHL Cc1cc(Br)c(S(=O)(=O)[N-]CCN(C(=O)[O-])C2CC2)s1 ZINC000829900731 603113324 /nfs/dbraw/zinc/11/33/24/603113324.db2.gz UUWNCJMXKGPNPL-UHFFFAOYSA-N -2 3 383.289 2.240 20 0 GEADHL Cc1n[nH]c(C)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826321624 607634038 /nfs/dbraw/zinc/63/40/38/607634038.db2.gz JRZTVKHDCDAJGM-UHFFFAOYSA-N -2 3 387.347 2.026 20 0 GEADHL Cc1n[nH]c(C)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826321624 607634039 /nfs/dbraw/zinc/63/40/39/607634039.db2.gz JRZTVKHDCDAJGM-UHFFFAOYSA-N -2 3 387.347 2.026 20 0 GEADHL CC(C)(CC(=O)Nc1cc(I)ccc1[O-])NC(=O)[O-] ZINC000823885790 603731798 /nfs/dbraw/zinc/73/17/98/603731798.db2.gz KPTANXVJBZZYRW-UHFFFAOYSA-N -2 3 378.166 2.372 20 0 GEADHL O=C([O-])N[C@H]1CC[C@@H](C(=O)Nc2cc(I)ccc2[O-])C1 ZINC000832288824 603887948 /nfs/dbraw/zinc/88/79/48/603887948.db2.gz WMVFJVBDQNGDQC-APPZFPTMSA-N -2 3 390.177 2.372 20 0 GEADHL O=C([O-])N1CC[C@H](CCNC(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000831665186 604270904 /nfs/dbraw/zinc/27/09/04/604270904.db2.gz BDBHAZCNGNYTLF-JTQLQIEISA-N -2 3 386.246 2.344 20 0 GEADHL O=C([O-])c1csc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000833342815 604489233 /nfs/dbraw/zinc/48/92/33/604489233.db2.gz PPINNNILPPWGMG-UHFFFAOYSA-N -2 3 375.406 2.142 20 0 GEADHL CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000833661856 604528558 /nfs/dbraw/zinc/52/85/58/604528558.db2.gz MAFYYGMIRBEFMR-UHFFFAOYSA-N -2 3 390.392 2.321 20 0 GEADHL C[C@@H](CC(=O)Nc1ccccc1[N-]S(C)(=O)=O)C1CCN(C(=O)[O-])CC1 ZINC000824703986 604676918 /nfs/dbraw/zinc/67/69/18/604676918.db2.gz VZLANIPGRXUWBR-LBPRGKRZSA-N -2 3 383.470 2.413 20 0 GEADHL COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc3c(cc2[O-])OCO3)cc1OC ZINC000833732064 604690859 /nfs/dbraw/zinc/69/08/59/604690859.db2.gz JXIVTNQLAPKGKJ-LBPRGKRZSA-N -2 3 389.360 2.084 20 0 GEADHL C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Br)cc2F)CCO1 ZINC000833597775 604704979 /nfs/dbraw/zinc/70/49/79/604704979.db2.gz MOLJAUZEWICZMG-YUMQZZPRSA-N -2 3 396.234 2.132 20 0 GEADHL COC(=O)c1cccc2[n-]c(NC(=O)Cc3[nH]c(C(C)=O)c(C)c3C(=O)[O-])nc21 ZINC000833716403 604868129 /nfs/dbraw/zinc/86/81/29/604868129.db2.gz FOYKAWWUELKMLL-UHFFFAOYSA-N -2 3 398.375 2.068 20 0 GEADHL Cc1ccccc1S(=O)(=O)[N-]c1ccc(-c2n[nH]c(CNC(=O)[O-])n2)cc1 ZINC000833908814 606017516 /nfs/dbraw/zinc/01/75/16/606017516.db2.gz HLZPSLZPLQLNDE-UHFFFAOYSA-N -2 3 387.421 2.349 20 0 GEADHL O=C([O-])Nc1ccccc1CC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000834270424 606069813 /nfs/dbraw/zinc/06/98/13/606069813.db2.gz HEHNBRXHCVJGSU-UHFFFAOYSA-N -2 3 383.404 2.009 20 0 GEADHL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(OCCNC(=O)[O-])cc3)ccc2O1 ZINC000833839698 606079758 /nfs/dbraw/zinc/07/97/58/606079758.db2.gz WBWHBWXMIHTJHT-GFCCVEGCSA-N -2 3 392.433 2.457 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nnn[n-]3)c2)oc1C ZINC000821668160 606203427 /nfs/dbraw/zinc/20/34/27/606203427.db2.gz RZJAUAMQVGUGCL-UHFFFAOYSA-N -2 3 397.800 2.009 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nn[n-]n3)c2)oc1C ZINC000821668160 606203429 /nfs/dbraw/zinc/20/34/29/606203429.db2.gz RZJAUAMQVGUGCL-UHFFFAOYSA-N -2 3 397.800 2.009 20 0 GEADHL COc1ccccc1-c1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n[nH]1 ZINC000821877883 606435188 /nfs/dbraw/zinc/43/51/88/606435188.db2.gz YGIWJUWFBQFRPX-UHFFFAOYSA-N -2 3 397.420 2.066 20 0 GEADHL CC(C)Cc1nnc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)s1 ZINC000820108955 606468245 /nfs/dbraw/zinc/46/82/45/606468245.db2.gz WKZYGEVVHOMIIS-UHFFFAOYSA-N -2 3 399.889 2.371 20 0 GEADHL CC(C)Cc1nnc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)s1 ZINC000820108955 606468246 /nfs/dbraw/zinc/46/82/46/606468246.db2.gz WKZYGEVVHOMIIS-UHFFFAOYSA-N -2 3 399.889 2.371 20 0 GEADHL Cc1ccc(F)cc1S(=O)(=O)[N-]c1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000822241346 606606553 /nfs/dbraw/zinc/60/65/53/606606553.db2.gz SKSCHLFIJZQUMF-UHFFFAOYSA-N -2 3 379.421 2.067 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2cc(Br)cc(-c3nnn[n-]3)c2)nc1 ZINC000822259095 606637010 /nfs/dbraw/zinc/63/70/10/606637010.db2.gz MILJIOFIZARTJQ-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2cc(Br)cc(-c3nn[n-]n3)c2)nc1 ZINC000822259095 606637011 /nfs/dbraw/zinc/63/70/11/606637011.db2.gz MILJIOFIZARTJQ-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL CCCCc1nc2cc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)ccc2[nH]1 ZINC000821083192 606708965 /nfs/dbraw/zinc/70/89/65/606708965.db2.gz VDCSUCUUWNDHRD-UHFFFAOYSA-N -2 3 398.452 2.281 20 0 GEADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2-c2nn[n-]n2)cc1 ZINC000821426704 606751163 /nfs/dbraw/zinc/75/11/63/606751163.db2.gz GUCQUZGNVBRJKE-UHFFFAOYSA-N -2 3 388.453 2.132 20 0 GEADHL Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(N(C)C)ccc2-c2nn[n-]n2)c1 ZINC000822203114 606821041 /nfs/dbraw/zinc/82/10/41/606821041.db2.gz FIISTPMUCZFKKC-UHFFFAOYSA-N -2 3 376.417 2.181 20 0 GEADHL C[C@H](Cc1ccsc1)[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820308115 606886156 /nfs/dbraw/zinc/88/61/56/606886156.db2.gz RHIPRHGBFAGTQC-MRVPVSSYSA-N -2 3 385.421 2.116 20 0 GEADHL CS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC000821949925 606892223 /nfs/dbraw/zinc/89/22/23/606892223.db2.gz JWHGZASNBIZRHR-NXEZZACHSA-N -2 3 389.453 2.097 20 0 GEADHL C[C@]1(c2ccccc2)C[C@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820634187 606893590 /nfs/dbraw/zinc/89/35/90/606893590.db2.gz FVBUCJKFSHZMIW-RHSMWYFYSA-N -2 3 391.403 2.153 20 0 GEADHL CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821453426 606894448 /nfs/dbraw/zinc/89/44/48/606894448.db2.gz AEQTYJJLECPPQM-RYUDHWBXSA-N -2 3 389.453 2.097 20 0 GEADHL CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821453427 606894583 /nfs/dbraw/zinc/89/45/83/606894583.db2.gz AEQTYJJLECPPQM-VXGBXAGGSA-N -2 3 389.453 2.097 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1ccc(Br)nc1 ZINC000822223772 606981080 /nfs/dbraw/zinc/98/10/80/606981080.db2.gz JTWTWNOXOURSOO-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL O=S(=O)([N-]c1ncc(-c2nnn[n-]2)s1)c1ccc(F)c(C(F)(F)F)c1 ZINC000823589132 607027045 /nfs/dbraw/zinc/02/70/45/607027045.db2.gz ORHJGSNMUWIWOA-UHFFFAOYSA-N -2 3 394.335 2.282 20 0 GEADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000820541555 607103799 /nfs/dbraw/zinc/10/37/99/607103799.db2.gz GSFBLNXQLGHJCF-CJNGLKHVSA-N -2 3 395.419 2.356 20 0 GEADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000820541555 607103800 /nfs/dbraw/zinc/10/38/00/607103800.db2.gz GSFBLNXQLGHJCF-CJNGLKHVSA-N -2 3 395.419 2.356 20 0 GEADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)c1Cl ZINC000753778124 607809163 /nfs/dbraw/zinc/80/91/63/607809163.db2.gz LBNRGVGMEUBPBH-UHFFFAOYSA-N -3 3 393.812 2.328 20 0 GEADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2C)c1 ZINC000826261139 607809511 /nfs/dbraw/zinc/80/95/11/607809511.db2.gz SLGSPZNKUSMEGG-UHFFFAOYSA-N -3 3 391.384 2.122 20 0 GEADHL CC(C)(C)SCCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824124603 607836279 /nfs/dbraw/zinc/83/62/79/607836279.db2.gz WPDXRPIKYNBSOR-UHFFFAOYSA-N -2 3 397.526 2.125 20 0 GEADHL CC(C)(C)SCCCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824124603 607836280 /nfs/dbraw/zinc/83/62/80/607836280.db2.gz WPDXRPIKYNBSOR-UHFFFAOYSA-N -2 3 397.526 2.125 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCCC(C)(C)C1 ZINC000826279011 607924366 /nfs/dbraw/zinc/92/43/66/607924366.db2.gz BRNZYQQGJPMSAJ-ZDUSSCGKSA-N -2 3 377.470 2.196 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H]1CCCC(C)(C)C1 ZINC000826279011 607924367 /nfs/dbraw/zinc/92/43/67/607924367.db2.gz BRNZYQQGJPMSAJ-ZDUSSCGKSA-N -2 3 377.470 2.196 20 0 GEADHL O=S(=O)([N-]C1CCC(F)(F)CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826488607 608056930 /nfs/dbraw/zinc/05/69/30/608056930.db2.gz UQKWAKPWVWGCGY-UHFFFAOYSA-N -2 3 379.339 2.001 20 0 GEADHL O=C(c1ccc([O-])c(Cl)c1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826473458 608084107 /nfs/dbraw/zinc/08/41/07/608084107.db2.gz YYERZMLFIRRFRN-INIZCTEOSA-N -2 3 385.811 2.439 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)nn1-c1ccccc1 ZINC000826271102 608220115 /nfs/dbraw/zinc/22/01/15/608220115.db2.gz CEWFSJQQBDGKGI-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)nn1-c1ccccc1 ZINC000826271102 608220117 /nfs/dbraw/zinc/22/01/17/608220117.db2.gz CEWFSJQQBDGKGI-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)nn1-c1ccccc1 ZINC000826303850 608220258 /nfs/dbraw/zinc/22/02/58/608220258.db2.gz IPYFCFZKJNPMHK-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)nn1-c1ccccc1 ZINC000826303850 608220259 /nfs/dbraw/zinc/22/02/59/608220259.db2.gz IPYFCFZKJNPMHK-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL CC(C)(C)Oc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000824119434 608236325 /nfs/dbraw/zinc/23/63/25/608236325.db2.gz IRZWUUIMENBXHL-UHFFFAOYSA-N -2 3 392.416 2.379 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2cccnc2OCC(F)F)c1-c1nnn[n-]1 ZINC000826304080 608236886 /nfs/dbraw/zinc/23/68/86/608236886.db2.gz VFWIOPJPBYNJTA-UHFFFAOYSA-N -2 3 396.379 2.015 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2cccnc2OCC(F)F)c1-c1nn[n-]n1 ZINC000826304080 608236888 /nfs/dbraw/zinc/23/68/88/608236888.db2.gz VFWIOPJPBYNJTA-UHFFFAOYSA-N -2 3 396.379 2.015 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)cnn1CC(C)C ZINC000826255589 608267430 /nfs/dbraw/zinc/26/74/30/608267430.db2.gz CPYFUWFCFAEYLX-UHFFFAOYSA-N -2 3 375.458 2.137 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)cnn1CC(C)C ZINC000826255589 608267431 /nfs/dbraw/zinc/26/74/31/608267431.db2.gz CPYFUWFCFAEYLX-UHFFFAOYSA-N -2 3 375.458 2.137 20 0 GEADHL COc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000826186937 608292807 /nfs/dbraw/zinc/29/28/07/608292807.db2.gz RFJWVSBWAFVTOV-UHFFFAOYSA-N -2 3 389.437 2.463 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccccc2-c2nnn[n-]2)nn1-c1ccc(C)cc1 ZINC000826281113 608583420 /nfs/dbraw/zinc/58/34/20/608583420.db2.gz FPQRSJIVCKQFCH-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)nn1-c1ccc(C)cc1 ZINC000826281113 608583422 /nfs/dbraw/zinc/58/34/22/608583422.db2.gz FPQRSJIVCKQFCH-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000824029039 609282186 /nfs/dbraw/zinc/28/21/86/609282186.db2.gz ADLKOCORHPXTHA-UHFFFAOYSA-N -2 3 393.812 2.229 20 0 GEADHL CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000824029039 609282187 /nfs/dbraw/zinc/28/21/87/609282187.db2.gz ADLKOCORHPXTHA-UHFFFAOYSA-N -2 3 393.812 2.229 20 0 GEADHL Cc1nc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)c(Cl)cc1Cl ZINC000826327420 609339946 /nfs/dbraw/zinc/33/99/46/609339946.db2.gz GWOFBRDLPUQXNV-UHFFFAOYSA-N -2 3 386.224 2.073 20 0 GEADHL Cc1nc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)c(Cl)cc1Cl ZINC000826327420 609339948 /nfs/dbraw/zinc/33/99/48/609339948.db2.gz GWOFBRDLPUQXNV-UHFFFAOYSA-N -2 3 386.224 2.073 20 0 GEADHL Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000826304000 609470025 /nfs/dbraw/zinc/47/00/25/609470025.db2.gz QJJZNSXNKGMDPQ-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL Cc1ccnn1-c1ccccc1[N-]S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000826304000 609470028 /nfs/dbraw/zinc/47/00/28/609470028.db2.gz QJJZNSXNKGMDPQ-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL CCOc1ncccc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825659146 609526003 /nfs/dbraw/zinc/52/60/03/609526003.db2.gz OXRMBMFWCIKOMA-UHFFFAOYSA-N -2 3 380.817 2.115 20 0 GEADHL Cc1nc(C)c([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)s1 ZINC000447400789 650006350 /nfs/dbraw/zinc/00/63/50/650006350.db2.gz RSUVYUBILCUPRG-UHFFFAOYSA-N -2 3 379.460 2.071 20 0 GEADHL CC(C)(C)CC[C@H](NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000449132783 650032264 /nfs/dbraw/zinc/03/22/64/650032264.db2.gz BLOKWUUTIXPGAF-VIFPVBQESA-N -2 3 396.918 2.076 20 0 GEADHL CC(C)(C)CC[C@H]([N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000485079137 650692925 /nfs/dbraw/zinc/69/29/25/650692925.db2.gz XRCDRPYCEXMZBN-JTQLQIEISA-N -2 3 379.276 2.402 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-][N-]C(=O)CCCc2cccs2)cc1[N+](=O)[O-] ZINC000015562434 642382320 /nfs/dbraw/zinc/38/23/20/642382320.db2.gz XEXGVIPPAKURTF-UHFFFAOYSA-N -2 3 383.451 2.297 20 0 GEADHL N#Cc1cccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)c1 ZINC000238006070 645448674 /nfs/dbraw/zinc/44/86/74/645448674.db2.gz AHDYUVPXYCILSC-UHFFFAOYSA-N -2 3 385.195 2.090 20 0 GEADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)Oc1ccc(F)cc1 ZINC000547900006 651053104 /nfs/dbraw/zinc/05/31/04/651053104.db2.gz LKHCAMSNWCKUBW-GFCCVEGCSA-N -2 3 391.779 2.429 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])c2ccccc2)s1 ZINC000547935634 651056768 /nfs/dbraw/zinc/05/67/68/651056768.db2.gz LIHCKTMLGYTXPT-LBPRGKRZSA-N -2 3 383.447 2.072 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cnccc2C)cc1F ZINC000271852242 646234702 /nfs/dbraw/zinc/23/47/02/646234702.db2.gz HJCDLMFKDVRATF-UHFFFAOYSA-N -2 3 387.458 2.482 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ncc(C)s2)cc1F ZINC000271919766 646241080 /nfs/dbraw/zinc/24/10/80/646241080.db2.gz RSEHWQHHXPULJN-UHFFFAOYSA-N -2 3 379.460 2.153 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC(C)(C)CC(=O)[O-])cc1Cl ZINC000274999992 646341600 /nfs/dbraw/zinc/34/16/00/646341600.db2.gz LQJBACSTDPIGKW-UHFFFAOYSA-N -2 3 380.825 2.217 20 0 GEADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(S(C)(=O)=O)ccc1F ZINC000324609976 647301424 /nfs/dbraw/zinc/30/14/24/647301424.db2.gz WYDHRYIYCUCQIN-UHFFFAOYSA-N -2 3 393.439 2.098 20 0 GEADHL C[C@@H]([C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Br)C(=O)[O-])C1CC1 ZINC000548992896 651091055 /nfs/dbraw/zinc/09/10/55/651091055.db2.gz UTVOJXUSPOQLQM-JMCQJSRRSA-N -2 3 380.235 2.366 20 0 GEADHL Cc1oc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)nc1C1CC1 ZINC000556264957 651239411 /nfs/dbraw/zinc/23/94/11/651239411.db2.gz IBDADDCKRJJHTO-UHFFFAOYSA-N -2 3 389.430 2.172 20 0 GEADHL COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)(F)F ZINC000556777670 651252063 /nfs/dbraw/zinc/25/20/63/651252063.db2.gz WHRGUEOLPKXBCW-ZETCQYMHSA-N -2 3 375.752 2.280 20 0 GEADHL CC1(C)CC[C@]([N-]S(=O)(=O)c2ccc(Br)cn2)(C(=O)[O-])C1 ZINC000556779462 651252375 /nfs/dbraw/zinc/25/23/75/651252375.db2.gz UOIMGQZLWSUZEB-CYBMUJFWSA-N -2 3 377.260 2.156 20 0 GEADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C ZINC000558863106 651287079 /nfs/dbraw/zinc/28/70/79/651287079.db2.gz WMHDMQTWEQBPLT-LLVKDONJSA-N -2 3 385.463 2.466 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(C)(C)C)c(F)c1 ZINC000561852056 651483249 /nfs/dbraw/zinc/48/32/49/651483249.db2.gz VLAMDMCDQBDBSU-LLVKDONJSA-N -2 3 375.418 2.028 20 0 GEADHL CC[C@@H](CC[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC)C(=O)[O-] ZINC000562981803 651505143 /nfs/dbraw/zinc/50/51/43/651505143.db2.gz FBAAMNFEBQLCFZ-JTQLQIEISA-N -2 3 385.463 2.467 20 0 GEADHL O=S(=O)([N-]c1cc([O-])c(Br)cc1Br)c1ncc[nH]1 ZINC000647924438 651765509 /nfs/dbraw/zinc/76/55/09/651765509.db2.gz PZCALBUCOCKMBK-UHFFFAOYSA-N -2 3 397.048 2.441 20 0 GEADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1cccs1 ZINC000614314349 651820535 /nfs/dbraw/zinc/82/05/35/651820535.db2.gz CJMZJTVWDJHDLP-SNVBAGLBSA-N -2 3 387.410 2.168 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(Cl)c2)cc1 ZINC000749163082 652238074 /nfs/dbraw/zinc/23/80/74/652238074.db2.gz QIPWAEJHSBDCNP-UHFFFAOYSA-N -2 3 378.797 2.420 20 0 GEADHL C[C@@H]1CCCc2nc(S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F)cn21 ZINC000578050100 652239448 /nfs/dbraw/zinc/23/94/48/652239448.db2.gz ZZCDXTWQVWPHHS-ZJUUUORDSA-N -2 3 383.392 2.102 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CCC(=O)[O-])s1 ZINC000578851962 652298952 /nfs/dbraw/zinc/29/89/52/652298952.db2.gz PTIKHIXMHVIQJO-QWRGUYRKSA-N -2 3 375.468 2.237 20 0 GEADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC000579062623 652314466 /nfs/dbraw/zinc/31/44/66/652314466.db2.gz RDFDUTQEECDDFV-UHFFFAOYSA-N -2 3 386.470 2.460 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C2CCC2)cc1Cl ZINC000663254312 652486676 /nfs/dbraw/zinc/48/66/76/652486676.db2.gz HZCKELZLWNOBOD-SNVBAGLBSA-N -2 3 392.836 2.217 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)[C@@H]1CCCO1 ZINC000630424969 652508048 /nfs/dbraw/zinc/50/80/48/652508048.db2.gz YIRPDFKATWFYNI-KWQFWETISA-N -2 3 398.662 2.013 20 0 GEADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000630435015 652508952 /nfs/dbraw/zinc/50/89/52/652508952.db2.gz DYCKVKGORPNTKD-OIBJUYFYSA-N -2 3 396.234 2.128 20 0 GEADHL C[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1ncc(C(=O)[O-])s1 ZINC000584351585 652518037 /nfs/dbraw/zinc/51/80/37/652518037.db2.gz RYUJWSRACIWAFN-LURJTMIESA-N -2 3 381.357 2.295 20 0 GEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)c[n-]1 ZINC000585730497 652535000 /nfs/dbraw/zinc/53/50/00/652535000.db2.gz VNOLFPJQASXTRX-QMMMGPOBSA-N -2 3 385.829 2.364 20 0 GEADHL CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1 ZINC000772904000 653171049 /nfs/dbraw/zinc/17/10/49/653171049.db2.gz KFYZMMTXWNMEGT-UHFFFAOYSA-N -2 3 379.818 2.389 20 0 GEADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)Cc1cccnc1 ZINC000776548801 653356532 /nfs/dbraw/zinc/35/65/32/653356532.db2.gz ZOYKVJWPMABYAD-JTQLQIEISA-N -2 3 390.248 2.005 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C(C)C)c(Cl)cc1Cl ZINC000776564206 653358016 /nfs/dbraw/zinc/35/80/16/653358016.db2.gz NGDGELBWILNHEV-SECBINFHSA-N -2 3 398.264 2.415 20 0 GEADHL C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)O1 ZINC000840898877 653699896 /nfs/dbraw/zinc/69/98/96/653699896.db2.gz XRESVKGPWOQPKY-BQBZGAKWSA-N -2 3 384.273 2.055 20 0 GEADHL CC[C@@H]1C[C@@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)CCO1 ZINC000817573788 653714640 /nfs/dbraw/zinc/71/46/40/653714640.db2.gz RCUFDSPLKXBSSS-JGVFFNPUSA-N -2 3 398.300 2.445 20 0 GEADHL Cc1ncsc1[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)C(=O)[O-] ZINC000787320985 653737227 /nfs/dbraw/zinc/73/72/27/653737227.db2.gz YDPPBGAAPZPASZ-QMMMGPOBSA-N -2 3 382.250 2.258 20 0 GEADHL COC(=O)c1sc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CCC2)c(C)c1Cl ZINC000788439575 653756220 /nfs/dbraw/zinc/75/62/20/653756220.db2.gz BLIQYHDMJLHNOD-SECBINFHSA-N -2 3 381.859 2.028 20 0 GEADHL CC[C@H](C[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C)CC(=O)[O-] ZINC000788440072 653756400 /nfs/dbraw/zinc/75/64/00/653756400.db2.gz DZZMEHAPDSUHCO-QMMMGPOBSA-N -2 3 383.875 2.276 20 0 GEADHL COC(=O)c1sc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CC2)c(C)c1Cl ZINC000788442301 653756627 /nfs/dbraw/zinc/75/66/27/653756627.db2.gz NIUWDIPQMBJICJ-QMMMGPOBSA-N -2 3 381.859 2.028 20 0 GEADHL C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c2nonc21)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000846769759 653909595 /nfs/dbraw/zinc/90/95/95/653909595.db2.gz PFJYOMFGGDSOFU-XHNCKOQMSA-N -2 3 387.845 2.290 20 0 GEADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)(C)C)c1 ZINC000794762077 653919089 /nfs/dbraw/zinc/91/90/89/653919089.db2.gz HTRMABFSFDOLCN-ZDUSSCGKSA-N -2 3 375.418 2.170 20 0 GEADHL COC(=O)c1sc(S(=O)(=O)[N-][C@@H](CC2CCC2)C(=O)[O-])c(C)c1Cl ZINC000794917792 653924638 /nfs/dbraw/zinc/92/46/38/653924638.db2.gz YCHCWQIGJTVQJB-VIFPVBQESA-N -2 3 395.886 2.418 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nnn[n-]3)cs2)c1Cl ZINC000826302082 653949219 /nfs/dbraw/zinc/94/92/19/653949219.db2.gz ZTAOMYVTISFDLE-UHFFFAOYSA-N -2 3 383.842 2.009 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]C(=O)c2cc(-c3nn[n-]n3)cs2)c1Cl ZINC000826302082 653949220 /nfs/dbraw/zinc/94/92/20/653949220.db2.gz ZTAOMYVTISFDLE-UHFFFAOYSA-N -2 3 383.842 2.009 20 0 GEADHL O=C([O-])C1CC2(C1)C[C@H]([N-]S(=O)(=O)c1cccnc1Cl)CCS2 ZINC000899947680 654040214 /nfs/dbraw/zinc/04/02/14/654040214.db2.gz BDVFXMLPRSHTGB-OPASDULOSA-N -2 3 376.887 2.142 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccc(F)cc2)s1 ZINC000917723317 654131933 /nfs/dbraw/zinc/13/19/33/654131933.db2.gz WWTVSNACBKZIMC-NSHDSACASA-N -2 3 387.410 2.168 20 0 GEADHL COc1ccc(Br)c(CS(=O)(=O)[N-]c2n[n-]c(C(F)F)n2)c1 ZINC000903150341 654222120 /nfs/dbraw/zinc/22/21/20/654222120.db2.gz QXRARQYONDZNQV-UHFFFAOYSA-N -2 3 397.201 2.455 20 0 GEADHL CO[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000871933550 654284346 /nfs/dbraw/zinc/28/43/46/654284346.db2.gz RFYOITGNHVSMRN-APPZFPTMSA-N -2 3 398.300 2.302 20 0 GEADHL O=C(c1ccccc1[O-])N1CCN(Cc2ncc(Br)cc2[O-])CC1 ZINC000891705119 654307765 /nfs/dbraw/zinc/30/77/65/654307765.db2.gz DKIJQCWQZNOHHC-UHFFFAOYSA-N -2 3 392.253 2.213 20 0 GEADHL COCC[S@](=O)Cc1cccc([N-]S(=O)(=O)c2cc([O-])cc(F)c2)c1 ZINC000872353819 654325436 /nfs/dbraw/zinc/32/54/36/654325436.db2.gz FNDABHCNMXNHNK-DEOSSOPVSA-N -2 3 387.454 2.227 20 0 GEADHL COc1c(F)cc(S(=O)(=O)[N-]C[C@H](CCC(=O)[O-])C(F)(F)F)cc1F ZINC000926489483 654572182 /nfs/dbraw/zinc/57/21/82/654572182.db2.gz IIYBNEHVQFZKMD-ZETCQYMHSA-N -2 3 391.314 2.295 20 0 GEADHL C[C@H]1Cn2nc(C(=O)[O-])cc2CN1C(=O)c1cc([O-])cc(Br)c1 ZINC000908439313 654629135 /nfs/dbraw/zinc/62/91/35/654629135.db2.gz MQFOZXAHRCCMRD-QMMMGPOBSA-N -2 3 380.198 2.094 20 0 GEADHL Cc1cc(F)cc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)c1 ZINC000155006018 531650349 /nfs/dbraw/zinc/65/03/49/531650349.db2.gz YRLNEKADPHBBBV-UHFFFAOYSA-N -2 3 376.406 2.446 20 0 GEADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2c(F)cccc2F)c1 ZINC000172897208 531972386 /nfs/dbraw/zinc/97/23/86/531972386.db2.gz LONQTHKEOYGXEQ-UHFFFAOYSA-N -2 3 376.406 2.446 20 0 GEADHL Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1cc(Br)ccc1[O-] ZINC000126449816 532148484 /nfs/dbraw/zinc/14/84/84/532148484.db2.gz GUZHBSBJIJJAEI-UHFFFAOYSA-N -2 3 391.225 2.289 20 0 GEADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](C)[C@@H](C)C(=O)[O-] ZINC000133172222 532228834 /nfs/dbraw/zinc/22/88/34/532228834.db2.gz PSACIRDUOHPWFV-BDAKNGLRSA-N -2 3 380.260 2.235 20 0 GEADHL Cc1cc(F)cc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)c1 ZINC000135362747 532271696 /nfs/dbraw/zinc/27/16/96/532271696.db2.gz CWTOJTNVHPJTJI-UHFFFAOYSA-N -2 3 376.406 2.446 20 0 GEADHL CC[N-]S(=O)(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000137260560 532289425 /nfs/dbraw/zinc/28/94/25/532289425.db2.gz MMZURKAXUUMBEQ-UHFFFAOYSA-N -2 3 376.406 2.064 20 0 GEADHL O=S(=O)([N-]c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1cccs1 ZINC000150868419 532303444 /nfs/dbraw/zinc/30/34/44/532303444.db2.gz UABIIIFEGWXGAC-UHFFFAOYSA-N -2 3 376.456 2.129 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]3C[C@H]3C2)c(F)c1 ZINC000425239816 532378332 /nfs/dbraw/zinc/37/83/32/532378332.db2.gz OJUSVBNVSZYSLM-PTEHBNRSSA-N -2 3 376.475 2.054 20 0 GEADHL CO[C@H](CS(=O)(=O)[N-]c1cc(Br)cc(C(=O)[O-])c1N)C(C)C ZINC000647132696 532368741 /nfs/dbraw/zinc/36/87/41/532368741.db2.gz ROOGKFISIOCZRU-LLVKDONJSA-N -2 3 395.275 2.142 20 0 GEADHL O=S(=O)(CCOCC1CC1)[N-]c1cc(I)ccc1[O-] ZINC000591590185 532414872 /nfs/dbraw/zinc/41/48/72/532414872.db2.gz NKTIWCZJTLFDOG-UHFFFAOYSA-N -2 3 397.234 2.165 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]C[C@@H](C)C2CC2)c(F)c1 ZINC000649686203 532422833 /nfs/dbraw/zinc/42/28/33/532422833.db2.gz RJSDBEJVBJOAMZ-LLVKDONJSA-N -2 3 378.491 2.302 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)[C@@H](C(=O)[O-])C(C)C)c(Cl)c1 ZINC000591743640 532421602 /nfs/dbraw/zinc/42/16/02/532421602.db2.gz WTKNEYYBRQDKNJ-RNCFNFMXSA-N -2 3 377.846 2.150 20 0 GEADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(CS(C)(=O)=O)c1 ZINC000466348970 532424723 /nfs/dbraw/zinc/42/47/23/532424723.db2.gz XVWLUQVPIMNDTO-UHFFFAOYSA-N -2 3 383.447 2.039 20 0 GEADHL COc1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)cc1[N-]S(C)(=O)=O ZINC000591795747 532424811 /nfs/dbraw/zinc/42/48/11/532424811.db2.gz ZCEWEIPUGVAWRQ-UHFFFAOYSA-N -2 3 388.442 2.315 20 0 GEADHL CS(=O)(=O)[N-]c1cc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)ccc1F ZINC000193704431 532431170 /nfs/dbraw/zinc/43/11/70/532431170.db2.gz HYNFCRKEQCCQJO-UHFFFAOYSA-N -2 3 398.359 2.415 20 0 GEADHL Cc1c([C@@H]([N-]S(=O)(=O)c2cc3cccc(C)c3s2)C(=O)[O-])cnn1C ZINC000650418501 532445048 /nfs/dbraw/zinc/44/50/48/532445048.db2.gz VFWBBSCUHCIKMJ-CQSZACIVSA-N -2 3 379.463 2.356 20 0 GEADHL Cc1c([C@H]([N-]S(=O)(=O)c2cc3cccc(C)c3s2)C(=O)[O-])cnn1C ZINC000650418500 532445454 /nfs/dbraw/zinc/44/54/54/532445454.db2.gz VFWBBSCUHCIKMJ-AWEZNQCLSA-N -2 3 379.463 2.356 20 0 GEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1OC ZINC000650443849 532447629 /nfs/dbraw/zinc/44/76/29/532447629.db2.gz XGCYAHZJZZSPHH-VXGBXAGGSA-N -2 3 377.846 2.283 20 0 GEADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-]C1([C@@H](C)C(=O)[O-])CC1 ZINC000650425390 532445934 /nfs/dbraw/zinc/44/59/34/532445934.db2.gz FAWQWWNUYCXIAN-VIFPVBQESA-N -2 3 392.271 2.379 20 0 GEADHL CCOc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000468972948 532484130 /nfs/dbraw/zinc/48/41/30/532484130.db2.gz MKUHZCKLYVXWMT-UHFFFAOYSA-N -2 3 380.809 2.423 20 0 GEADHL CC(C)(C)c1cc(CS(=O)(=O)[N-]c2ccccc2[N-]S(C)(=O)=O)no1 ZINC000430983504 532502576 /nfs/dbraw/zinc/50/25/76/532502576.db2.gz FPJUWEKDSYAWTG-UHFFFAOYSA-N -2 3 387.483 2.286 20 0 GEADHL CCn1cc(S(=O)(=O)[N-]c2cccc(C(=O)OC)c2Cl)cc1C(=O)[O-] ZINC000431181428 532507246 /nfs/dbraw/zinc/50/72/46/532507246.db2.gz KJDFNIFOUKSEBZ-UHFFFAOYSA-N -2 3 386.813 2.447 20 0 GEADHL C[N-]S(=O)(=O)c1cc(NC(=O)c2cc(F)c(F)c([O-])c2F)ccc1F ZINC000563612397 532507284 /nfs/dbraw/zinc/50/72/84/532507284.db2.gz ISECXFRGXMXQOO-UHFFFAOYSA-N -2 3 378.303 2.109 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Br)[C@@H]1CCCO1 ZINC000630423164 532518599 /nfs/dbraw/zinc/51/85/99/532518599.db2.gz PJHHRLUYJQZKHT-ONGXEEELSA-N -2 3 398.662 2.013 20 0 GEADHL Cc1noc([C@H](C)[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)n1 ZINC000564923606 532538008 /nfs/dbraw/zinc/53/80/08/532538008.db2.gz RYGNMSHEYODYTE-LURJTMIESA-N -2 3 379.316 2.135 20 0 GEADHL CCC(CC)(C[N-]S(=O)(=O)Cc1ncsc1Br)C(=O)[O-] ZINC000630444653 532519848 /nfs/dbraw/zinc/51/98/48/532519848.db2.gz OJGJTXOUFFEOLO-UHFFFAOYSA-N -2 3 385.305 2.216 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CC2CC=CC2)c(F)c1 ZINC000528469805 532565912 /nfs/dbraw/zinc/56/59/12/532565912.db2.gz NVVKXXDFCSEFCL-UHFFFAOYSA-N -2 3 376.475 2.222 20 0 GEADHL CCC[C@@H](CCCC[N-]S(=O)(=O)c1cnc(NC(C)=O)s1)C(=O)[O-] ZINC000565541355 532568537 /nfs/dbraw/zinc/56/85/37/532568537.db2.gz OFAKWRWVEIKDOL-NSHDSACASA-N -2 3 377.488 2.051 20 0 GEADHL C[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br)C(=O)[O-] ZINC000262188843 532589433 /nfs/dbraw/zinc/58/94/33/532589433.db2.gz GONMXYUYCZQXPM-YFKPBYRVSA-N -2 3 376.150 2.219 20 0 GEADHL CCCC[C@H]([N-]S(=O)(=O)c1cc(OC)ccc1Br)C(=O)[O-] ZINC000262419833 532593000 /nfs/dbraw/zinc/59/30/00/532593000.db2.gz AVDZXJCSXGJSES-NSHDSACASA-N -2 3 380.260 2.379 20 0 GEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C[C@@H]1CCCO1 ZINC000566559732 532616109 /nfs/dbraw/zinc/61/61/09/532616109.db2.gz UZGUSNQJSXMSNG-ONGXEEELSA-N -2 3 377.846 2.283 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)cc1Br ZINC000474406107 532617659 /nfs/dbraw/zinc/61/76/59/532617659.db2.gz FPDVYLYAJUZUFE-UHFFFAOYSA-N -2 3 397.210 2.219 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3[nH]nnc3c2)cc1Br ZINC000474406107 532617662 /nfs/dbraw/zinc/61/76/62/532617662.db2.gz FPDVYLYAJUZUFE-UHFFFAOYSA-N -2 3 397.210 2.219 20 0 GEADHL O=C([O-])C1([N-]S(=O)(=O)c2c(Cl)cccc2Br)CCOCC1 ZINC000376587061 532619284 /nfs/dbraw/zinc/61/92/84/532619284.db2.gz OKIGSPSVRIURCO-UHFFFAOYSA-N -2 3 398.662 2.015 20 0 GEADHL O=C([O-])Cc1cccc(S(=O)(=O)[N-][C@@H](C[C@H]2CCCO2)C(F)(F)F)c1 ZINC000656181854 532608975 /nfs/dbraw/zinc/60/89/75/532608975.db2.gz XELDLWKCCNZYHZ-YPMHNXCESA-N -2 3 381.372 2.092 20 0 GEADHL Cc1cc(S(=O)(=O)[N-][C@@H](C[C@@H]2CCCO2)C(F)(F)F)ccc1C(=O)[O-] ZINC000656179964 532609519 /nfs/dbraw/zinc/60/95/19/532609519.db2.gz CPXVNJGXXDTJBT-GWCFXTLKSA-N -2 3 381.372 2.472 20 0 GEADHL O=C([O-])Cc1cccc(S(=O)(=O)[N-][C@H](C[C@@H]2CCCO2)C(F)(F)F)c1 ZINC000656181853 532609742 /nfs/dbraw/zinc/60/97/42/532609742.db2.gz XELDLWKCCNZYHZ-WCQYABFASA-N -2 3 381.372 2.092 20 0 GEADHL CO[C@H](CS(=O)(=O)[N-]c1ccccc1[N-]S(C)(=O)=O)C1CCCCC1 ZINC000656615699 532623299 /nfs/dbraw/zinc/62/32/99/532623299.db2.gz DNAAVKSNUCKDLT-MRXNPFEDSA-N -2 3 390.527 2.395 20 0 GEADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C ZINC000567804185 532665284 /nfs/dbraw/zinc/66/52/84/532665284.db2.gz SVDJVONEJHEVFS-UHFFFAOYSA-N -2 3 392.861 2.496 20 0 GEADHL CCC(=O)C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000285096263 532646873 /nfs/dbraw/zinc/64/68/73/532646873.db2.gz MBNXSOLKYIOKBZ-JTQLQIEISA-N -2 3 387.763 2.460 20 0 GEADHL CC(C)(C)OC[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000285193080 532657194 /nfs/dbraw/zinc/65/71/94/532657194.db2.gz QXBMAMFPUNUZTC-ZETCQYMHSA-N -2 3 386.289 2.057 20 0 GEADHL C[C@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000285558385 532690264 /nfs/dbraw/zinc/69/02/64/532690264.db2.gz SWNRSJYIFLKCDM-YUMQZZPRSA-N -2 3 398.300 2.160 20 0 GEADHL CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F)C(=O)OC ZINC000573248828 532710740 /nfs/dbraw/zinc/71/07/40/532710740.db2.gz JXKHOKKEOHWPJL-JOYOIKCWSA-N -2 3 375.418 2.088 20 0 GEADHL CC(C)c1nc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(Cl)c(F)c2)cn1C ZINC000576800292 532729185 /nfs/dbraw/zinc/72/91/85/532729185.db2.gz CLYRKEHPFWNRQJ-CYBMUJFWSA-N -2 3 389.836 2.440 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]CC2CCCC2)c(F)c1 ZINC000451043408 532760473 /nfs/dbraw/zinc/76/04/73/532760473.db2.gz SVPQYLWPQAAKJD-UHFFFAOYSA-N -2 3 378.491 2.446 20 0 GEADHL COc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000317138254 532783637 /nfs/dbraw/zinc/78/36/37/532783637.db2.gz VBZDFNWICAGHSQ-GXTWGEPZSA-N -2 3 392.271 2.379 20 0 GEADHL Cc1cccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)C(C)C)c(F)c2)n1 ZINC000269689010 532786807 /nfs/dbraw/zinc/78/68/07/532786807.db2.gz UJFHOHSRAGTCAF-UHFFFAOYSA-N -2 3 387.458 2.480 20 0 GEADHL C[C@@H]1CC[C@@](C[N-]S(=O)(=O)c2ccc(Br)cn2)(CC(=O)[O-])C1 ZINC000547569541 532786950 /nfs/dbraw/zinc/78/69/50/532786950.db2.gz MRHCRROQXXXQLR-YGRLFVJLSA-N -2 3 391.287 2.404 20 0 GEADHL CCC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)oc1CC)C(=O)[O-] ZINC000547609377 532787612 /nfs/dbraw/zinc/78/76/12/532787612.db2.gz QPUGJUFWONVYNC-WDEREUQCSA-N -2 3 375.443 2.186 20 0 GEADHL CC(C)Cn1cnc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(Cl)c(F)c2)c1 ZINC000547609378 532787902 /nfs/dbraw/zinc/78/79/02/532787902.db2.gz QQHSOPYECFYSOO-AWEZNQCLSA-N -2 3 389.836 2.436 20 0 GEADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H](CC(F)F)C(=O)[O-] ZINC000548205765 532788951 /nfs/dbraw/zinc/78/89/51/532788951.db2.gz FGFVEHLVNUUMER-MRVPVSSYSA-N -2 3 393.389 2.075 20 0 GEADHL Cc1nn(C)c(C)c1[C@@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1Cl)C(=O)[O-] ZINC000548210638 532789034 /nfs/dbraw/zinc/78/90/34/532789034.db2.gz VBADUARXLSZEQZ-CQSZACIVSA-N -2 3 389.836 2.242 20 0 GEADHL Cc1cc(S(=O)(=O)[N-][C@@H](CC(=O)OC(C)(C)C)C(=O)[O-])c(Cl)cc1F ZINC000548221209 532789656 /nfs/dbraw/zinc/78/96/56/532789656.db2.gz RGUKJCDKDQOPNL-NSHDSACASA-N -2 3 395.836 2.251 20 0 GEADHL COC(=O)c1sccc1S(=O)(=O)[N-][C@H](CC1CCCCC1)C(=O)[O-] ZINC000326271661 532790293 /nfs/dbraw/zinc/79/02/93/532790293.db2.gz VOFAVZLNFWFOMI-LLVKDONJSA-N -2 3 375.468 2.237 20 0 GEADHL O=C([O-])[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000326635591 532790328 /nfs/dbraw/zinc/79/03/28/532790328.db2.gz WESMVOFBBKEFSM-ZCFIWIBFSA-N -2 3 381.250 2.269 20 0 GEADHL Cn1cc([C@@H]([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C(=O)[O-])cn1 ZINC000327141290 532791891 /nfs/dbraw/zinc/79/18/91/532791891.db2.gz NNDOZVAQGPOFBU-LLVKDONJSA-N -2 3 397.762 2.197 20 0 GEADHL O=C([O-])[C@H](O)[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000549551637 532794644 /nfs/dbraw/zinc/79/46/44/532794644.db2.gz PKMQXAWHMWTACC-GXFFZTMASA-N -2 3 381.903 2.464 20 0 GEADHL CCC(=O)C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)C(=O)[O-] ZINC000551593097 532801807 /nfs/dbraw/zinc/80/18/07/532801807.db2.gz JMEBOOYHCZEIRJ-SECBINFHSA-N -2 3 398.662 2.203 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-]CCCCC(=O)[O-])c(Cl)cc1Cl ZINC000274881446 532858189 /nfs/dbraw/zinc/85/81/89/532858189.db2.gz CZAGENGLUDTYDN-UHFFFAOYSA-N -2 3 384.237 2.313 20 0 GEADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H](C)CCC(=O)[O-] ZINC000274917592 532859435 /nfs/dbraw/zinc/85/94/35/532859435.db2.gz AHBSSVBSFDKTEB-ZETCQYMHSA-N -2 3 384.223 2.128 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C)CCCC(=O)[O-])cc1Cl ZINC000274943608 532860230 /nfs/dbraw/zinc/86/02/30/532860230.db2.gz GRQFBRDFVGQYDN-QMMMGPOBSA-N -2 3 380.825 2.359 20 0 GEADHL CSCC[C@@H]([N-]S(=O)(=O)c1sc(C)cc1Br)C(=O)[O-] ZINC000274979212 532860576 /nfs/dbraw/zinc/86/05/76/532860576.db2.gz XMHQIGJJHZTMLQ-MRVPVSSYSA-N -2 3 388.330 2.304 20 0 GEADHL Cc1c(Br)ccc(C(=O)[O-])c1[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000274976857 532860908 /nfs/dbraw/zinc/86/09/08/532860908.db2.gz JGMHCPSRVIXTQW-VIFPVBQESA-N -2 3 378.244 2.376 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-])c1Br ZINC000275163798 532866811 /nfs/dbraw/zinc/86/68/11/532866811.db2.gz AZUHCGYSRRGUJJ-SSDOTTSWSA-N -2 3 390.177 2.441 20 0 GEADHL Cc1nc(CC[N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)sc1C(=O)[O-] ZINC000275191620 532867867 /nfs/dbraw/zinc/86/78/67/532867867.db2.gz FQWOHQIYSSURNR-UHFFFAOYSA-N -2 3 396.277 2.373 20 0 GEADHL O=C([O-])Cc1csc(CC[N-]S(=O)(=O)c2ccccc2C(F)(F)F)n1 ZINC000275196682 532868600 /nfs/dbraw/zinc/86/86/00/532868600.db2.gz GCSJPJZOZDPPDE-UHFFFAOYSA-N -2 3 394.396 2.310 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])c2ccccc2)s1 ZINC000275223079 532868750 /nfs/dbraw/zinc/86/87/50/532868750.db2.gz ISPWEFVKLVOVIK-LBPRGKRZSA-N -2 3 383.447 2.419 20 0 GEADHL Cc1ccc(Br)c(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-])c1 ZINC000275317027 532872725 /nfs/dbraw/zinc/87/27/25/532872725.db2.gz RXAAYKGWZZTFOL-MRVPVSSYSA-N -2 3 390.177 2.441 20 0 GEADHL CCO[C@H]1C[C@]([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)(C(=O)[O-])C1(C)C ZINC000275620565 532879867 /nfs/dbraw/zinc/87/98/67/532879867.db2.gz LAXNDMMGNATEKM-WFASDCNBSA-N -2 3 379.837 2.416 20 0 GEADHL O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)[N-]OCCC(F)(F)F ZINC000290617834 532885397 /nfs/dbraw/zinc/88/53/97/532885397.db2.gz CANDUZPEDCATBC-UHFFFAOYSA-N -2 3 395.186 2.272 20 0 GEADHL CS(=O)(=O)c1csc(C(=O)[N-]c2n[n-]c(-c3c(F)cccc3F)n2)c1 ZINC000360078094 532889837 /nfs/dbraw/zinc/88/98/37/532889837.db2.gz GHDQPHGEULIPHD-UHFFFAOYSA-N -2 3 384.389 2.467 20 0 GEADHL CC[C@H](CS(=O)(=O)[N-]c1cc(Br)c(F)cc1C(=O)[O-])OC ZINC000421165164 532889137 /nfs/dbraw/zinc/88/91/37/532889137.db2.gz LKGWGGARTWTPRN-SSDOTTSWSA-N -2 3 384.223 2.453 20 0 GEADHL CC[C@@H](CS(=O)(=O)[N-]c1cc(Br)c(F)cc1C(=O)[O-])OC ZINC000421165165 532889329 /nfs/dbraw/zinc/88/93/29/532889329.db2.gz LKGWGGARTWTPRN-ZETCQYMHSA-N -2 3 384.223 2.453 20 0 GEADHL O=S(=O)([N-]c1cccc(-c2cc[nH]n2)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738341686 598842010 /nfs/dbraw/zinc/84/20/10/598842010.db2.gz JYDSQRGXSMDZLT-UHFFFAOYSA-N -2 3 385.384 2.197 20 0 GEADHL O=S(=O)([N-]c1cccc(-c2cc[nH]n2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738341686 598842013 /nfs/dbraw/zinc/84/20/13/598842013.db2.gz JYDSQRGXSMDZLT-UHFFFAOYSA-N -2 3 385.384 2.197 20 0 GEADHL CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)cn1 ZINC000736530954 598909300 /nfs/dbraw/zinc/90/93/00/598909300.db2.gz ALTRNOUBLPYOLU-UHFFFAOYSA-N -2 3 391.432 2.048 20 0 GEADHL CCN(CC)c1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000736530954 598909302 /nfs/dbraw/zinc/90/93/02/598909302.db2.gz ALTRNOUBLPYOLU-UHFFFAOYSA-N -2 3 391.432 2.048 20 0 GEADHL O=S(=O)([N-]c1nc2c(s1)CCCC2)c1ccc(-c2nnn[n-]2)cc1F ZINC000738338701 598910264 /nfs/dbraw/zinc/91/02/64/598910264.db2.gz IBDRTZDPFTTYSB-UHFFFAOYSA-N -2 3 380.430 2.142 20 0 GEADHL O=S(=O)([N-]c1nc2c(s1)CCCC2)c1ccc(-c2nn[n-]n2)cc1F ZINC000738338701 598910265 /nfs/dbraw/zinc/91/02/65/598910265.db2.gz IBDRTZDPFTTYSB-UHFFFAOYSA-N -2 3 380.430 2.142 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccccc1N1CCCC1=O ZINC000737224764 598947057 /nfs/dbraw/zinc/94/70/57/598947057.db2.gz FUENSDHFWISZSQ-UHFFFAOYSA-N -2 3 398.448 2.103 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccccc1-n1cccn1 ZINC000737223680 598947092 /nfs/dbraw/zinc/94/70/92/598947092.db2.gz BIKWQGQPBGUSPZ-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccn(-c2ccccc2)n1 ZINC000737223602 598947236 /nfs/dbraw/zinc/94/72/36/598947236.db2.gz AHPVYDPDTGIWPX-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccn(-c2ccccc2)n1 ZINC000737223602 598947237 /nfs/dbraw/zinc/94/72/37/598947237.db2.gz AHPVYDPDTGIWPX-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccn(Cc2ccccc2)n1 ZINC000737226014 598949176 /nfs/dbraw/zinc/94/91/76/598949176.db2.gz YACCURBSLJDOHC-UHFFFAOYSA-N -2 3 395.448 2.221 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccn(Cc2ccccc2)n1 ZINC000737226014 598949177 /nfs/dbraw/zinc/94/91/77/598949177.db2.gz YACCURBSLJDOHC-UHFFFAOYSA-N -2 3 395.448 2.221 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CC(C)(C)c1ccccc1 ZINC000737297970 598975010 /nfs/dbraw/zinc/97/50/10/598975010.db2.gz HNUUZAYGJPHDBX-UHFFFAOYSA-N -2 3 399.476 2.348 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CC(C)(C)c1ccccc1 ZINC000737297970 598975012 /nfs/dbraw/zinc/97/50/12/598975012.db2.gz HNUUZAYGJPHDBX-UHFFFAOYSA-N -2 3 399.476 2.348 20 0 GEADHL Cc1ccnc(-c2ccc([N-]S(=O)(=O)c3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000737437206 599018786 /nfs/dbraw/zinc/01/87/86/599018786.db2.gz MIBVNJILDGQYQY-UHFFFAOYSA-N -2 3 393.432 2.433 20 0 GEADHL Cc1ccnc(-c2ccc([N-]S(=O)(=O)c3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000737437206 599018788 /nfs/dbraw/zinc/01/87/88/599018788.db2.gz MIBVNJILDGQYQY-UHFFFAOYSA-N -2 3 393.432 2.433 20 0 GEADHL CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nnn[n-]3)c2)c1C ZINC000736731975 599098106 /nfs/dbraw/zinc/09/81/06/599098106.db2.gz URTCCNXKPVXLKD-UHFFFAOYSA-N -2 3 381.849 2.154 20 0 GEADHL CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nn[n-]n3)c2)c1C ZINC000736731975 599098108 /nfs/dbraw/zinc/09/81/08/599098108.db2.gz URTCCNXKPVXLKD-UHFFFAOYSA-N -2 3 381.849 2.154 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)c(Br)c1 ZINC000822267507 599230880 /nfs/dbraw/zinc/23/08/80/599230880.db2.gz XSXHSPARVNEWGM-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)c(Br)c1 ZINC000822267507 599230881 /nfs/dbraw/zinc/23/08/81/599230881.db2.gz XSXHSPARVNEWGM-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)c1sccc1C1CC1 ZINC000738139791 598332044 /nfs/dbraw/zinc/33/20/44/598332044.db2.gz PXSCEBHHEHQJFR-UHFFFAOYSA-N -2 3 389.462 2.065 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)c1sccc1C1CC1 ZINC000738139791 598332046 /nfs/dbraw/zinc/33/20/46/598332046.db2.gz PXSCEBHHEHQJFR-UHFFFAOYSA-N -2 3 389.462 2.065 20 0 GEADHL CCc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000736685622 598536507 /nfs/dbraw/zinc/53/65/07/598536507.db2.gz HZSVJQUQJRCVDY-CYBMUJFWSA-N -2 3 399.476 2.179 20 0 GEADHL CCc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000736685622 598536508 /nfs/dbraw/zinc/53/65/08/598536508.db2.gz HZSVJQUQJRCVDY-CYBMUJFWSA-N -2 3 399.476 2.179 20 0 GEADHL O=C([O-])C1(CC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)Cc2ccccc2C1 ZINC000737806983 598617563 /nfs/dbraw/zinc/61/75/63/598617563.db2.gz IISRIUCFIAISED-UHFFFAOYSA-N -2 3 381.367 2.204 20 0 GEADHL O=C([O-])C1(CC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)Cc2ccccc2C1 ZINC000737806983 598617565 /nfs/dbraw/zinc/61/75/65/598617565.db2.gz IISRIUCFIAISED-UHFFFAOYSA-N -2 3 381.367 2.204 20 0 GEADHL Cc1cc(C)c(NS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)c(C(=O)[O-])c1 ZINC000737249063 598628397 /nfs/dbraw/zinc/62/83/97/598628397.db2.gz RECJLKYIIPGHGX-UHFFFAOYSA-N -2 3 387.421 2.124 20 0 GEADHL Cc1cc(C)c(NS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)c(C(=O)[O-])c1 ZINC000737249063 598628398 /nfs/dbraw/zinc/62/83/98/598628398.db2.gz RECJLKYIIPGHGX-UHFFFAOYSA-N -2 3 387.421 2.124 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)cc1C(F)(F)F ZINC000737369583 598638039 /nfs/dbraw/zinc/63/80/39/598638039.db2.gz JEXHKCRORFCVKH-UHFFFAOYSA-N -2 3 384.343 2.390 20 0 GEADHL C[C@@H](NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820323621 599299212 /nfs/dbraw/zinc/29/92/12/599299212.db2.gz YMMJQIKSQHIGLR-ZUOKHONESA-N -2 3 379.420 2.477 20 0 GEADHL C[C@@H](NC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820323621 599299214 /nfs/dbraw/zinc/29/92/14/599299214.db2.gz YMMJQIKSQHIGLR-ZUOKHONESA-N -2 3 379.420 2.477 20 0 GEADHL O=S(=O)([N-]c1cccc(Oc2ccccn2)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823589151 599307879 /nfs/dbraw/zinc/30/78/79/599307879.db2.gz QFMFOEAQZMJSGD-UHFFFAOYSA-N -2 3 395.404 2.250 20 0 GEADHL O=S(=O)([N-]c1cccc(Oc2ccccn2)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823589151 599307881 /nfs/dbraw/zinc/30/78/81/599307881.db2.gz QFMFOEAQZMJSGD-UHFFFAOYSA-N -2 3 395.404 2.250 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cnn1-c1ccccc1 ZINC000822223796 607376176 /nfs/dbraw/zinc/37/61/76/607376176.db2.gz KRWDYSATDLJJGV-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL O=C(CC/C=C/c1ccccc1)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737825706 599618124 /nfs/dbraw/zinc/61/81/24/599618124.db2.gz OIKLCTDNTZQPQK-RUDMXATFSA-N -2 3 397.460 2.306 20 0 GEADHL O=C(CC/C=C/c1ccccc1)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737825706 599618126 /nfs/dbraw/zinc/61/81/26/599618126.db2.gz OIKLCTDNTZQPQK-RUDMXATFSA-N -2 3 397.460 2.306 20 0 GEADHL CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821048957 599619782 /nfs/dbraw/zinc/61/97/82/599619782.db2.gz HFKADMWLKYIDAP-ZDUSSCGKSA-N -2 3 379.486 2.419 20 0 GEADHL CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821048957 599619783 /nfs/dbraw/zinc/61/97/83/599619783.db2.gz HFKADMWLKYIDAP-ZDUSSCGKSA-N -2 3 379.486 2.419 20 0 GEADHL CC(C)[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820016242 599620564 /nfs/dbraw/zinc/62/05/64/599620564.db2.gz KZKKXIPYNJHOBQ-MRXNPFEDSA-N -2 3 385.449 2.111 20 0 GEADHL CC(C)[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820016242 599620565 /nfs/dbraw/zinc/62/05/65/599620565.db2.gz KZKKXIPYNJHOBQ-MRXNPFEDSA-N -2 3 385.449 2.111 20 0 GEADHL COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)cc1 ZINC000737620608 599853477 /nfs/dbraw/zinc/85/34/77/599853477.db2.gz AKFAOZUFLIBGNS-UHFFFAOYSA-N -2 3 393.417 2.056 20 0 GEADHL CNC(=O)CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1 ZINC000466277657 599853945 /nfs/dbraw/zinc/85/39/45/599853945.db2.gz AQMNJKHVBLFEQH-UHFFFAOYSA-N -2 3 392.433 2.009 20 0 GEADHL Cc1nc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)nc2ccccc12 ZINC000738857899 599859269 /nfs/dbraw/zinc/85/92/69/599859269.db2.gz WPRSFMBIJCOHKQ-UHFFFAOYSA-N -2 3 375.381 2.254 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)ccc1C(=O)[O-] ZINC000738463883 599868927 /nfs/dbraw/zinc/86/89/27/599868927.db2.gz RKJBIXAJNRZRJS-UHFFFAOYSA-N -3 3 379.390 2.348 20 0 GEADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(N2CCOCC2)cc1 ZINC000738276867 599905007 /nfs/dbraw/zinc/90/50/07/599905007.db2.gz GAKANJDXOIXKIG-UHFFFAOYSA-N -2 3 376.434 2.331 20 0 GEADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(N2CCOCC2)c(F)c1 ZINC000268602164 599907581 /nfs/dbraw/zinc/90/75/81/599907581.db2.gz KDDBTTYVPQGPKL-UHFFFAOYSA-N -2 3 394.424 2.470 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1C(=O)NC(C)C ZINC000738635944 599908775 /nfs/dbraw/zinc/90/87/75/599908775.db2.gz IRVNMVXLDNLIAN-UHFFFAOYSA-N -2 3 392.433 2.338 20 0 GEADHL COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000476754101 599926429 /nfs/dbraw/zinc/92/64/29/599926429.db2.gz DOCJEHXLPFLELF-UHFFFAOYSA-N -2 3 379.390 2.046 20 0 GEADHL Cc1cc(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)ccc1C(=O)[O-] ZINC000535590034 599949146 /nfs/dbraw/zinc/94/91/46/599949146.db2.gz XWMIUVHZVDNLKI-UHFFFAOYSA-N -2 3 388.854 2.325 20 0 GEADHL COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(N(C)C)c(C)c2)c1 ZINC000737652259 600105638 /nfs/dbraw/zinc/10/56/38/600105638.db2.gz ACLVRIMZHZQJLX-UHFFFAOYSA-N -2 3 392.433 2.347 20 0 GEADHL COC(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1 ZINC000737638248 600302343 /nfs/dbraw/zinc/30/23/43/600302343.db2.gz PEMVCJHTVPOAGL-UHFFFAOYSA-N -2 3 378.406 2.350 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)ccc1OCC(=O)[O-] ZINC000738477059 600302701 /nfs/dbraw/zinc/30/27/01/600302701.db2.gz FRWKWUAORFENAJ-UHFFFAOYSA-N -3 3 394.405 2.027 20 0 GEADHL Cc1noc(COc2ccc([N-]S(=O)(=O)c3ccccc3C(=O)[O-])cc2)n1 ZINC000738951669 600412583 /nfs/dbraw/zinc/41/25/83/600412583.db2.gz XTTPCVYDCWYBIQ-UHFFFAOYSA-N -2 3 389.389 2.456 20 0 GEADHL COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)OCC(=O)[O-])c2)cc1 ZINC000738041874 600421752 /nfs/dbraw/zinc/42/17/52/600421752.db2.gz OETQHRNBNLOJGT-UHFFFAOYSA-N -2 3 379.390 2.046 20 0 GEADHL O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)c1nnc2ccccc2c1[O-] ZINC000238137151 600442105 /nfs/dbraw/zinc/44/21/05/600442105.db2.gz FLCURBDQNBOYSF-UHFFFAOYSA-N -2 3 387.342 2.318 20 0 GEADHL Cc1ccc(C(=O)NCCC(=O)O[C@@H](C(=O)[O-])c2ccc(F)cc2)c([O-])c1 ZINC000738515566 600455069 /nfs/dbraw/zinc/45/50/69/600455069.db2.gz ZEBQTUUVFUYUHZ-QGZVFWFLSA-N -2 3 375.352 2.329 20 0 GEADHL O=C([O-])Nc1ccc(CCNC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])cc1 ZINC000740017592 600465125 /nfs/dbraw/zinc/46/51/25/600465125.db2.gz PLJWNVALNKGXSJ-QGZVFWFLSA-N -2 3 397.431 2.446 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)cc1C(=O)[O-] ZINC000055679031 600543784 /nfs/dbraw/zinc/54/37/84/600543784.db2.gz DKGQIDUZCKJCEI-UHFFFAOYSA-N -2 3 392.433 2.031 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOC3=O)cc2)cc1C(=O)[O-] ZINC000738064089 600544288 /nfs/dbraw/zinc/54/42/88/600544288.db2.gz RECSXABDVGFMHW-UHFFFAOYSA-N -2 3 392.389 2.151 20 0 GEADHL CC(C)N(CCC(=O)[O-])C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000268901144 600560909 /nfs/dbraw/zinc/56/09/09/600560909.db2.gz UENQTNPAUJTTTR-UHFFFAOYSA-N -2 3 388.461 2.228 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cc1C(=O)N(C)C ZINC000604303893 600611905 /nfs/dbraw/zinc/61/19/05/600611905.db2.gz JXRQNJXCZUYVSO-UHFFFAOYSA-N -2 3 396.396 2.035 20 0 GEADHL CCOCCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Br)cc1F ZINC000737164363 600633633 /nfs/dbraw/zinc/63/36/33/600633633.db2.gz OHUHUZAXASJYER-UHFFFAOYSA-N -2 3 398.250 2.381 20 0 GEADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1ccc(SC(F)(F)F)cc1 ZINC000826492417 607462539 /nfs/dbraw/zinc/46/25/39/607462539.db2.gz JMOUWXHURCKKKU-UHFFFAOYSA-N -2 3 391.360 2.003 20 0 GEADHL CCN1CCN(c2ccccc2[N-]S(=O)(=O)c2csc(C(=O)[O-])c2)CC1 ZINC000829781486 600699171 /nfs/dbraw/zinc/69/91/71/600699171.db2.gz YFNRWFQWKVAGIG-UHFFFAOYSA-N -2 3 395.506 2.389 20 0 GEADHL Cc1cnc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)s1 ZINC000235923801 600776937 /nfs/dbraw/zinc/77/69/37/600776937.db2.gz AZUGLXQBBAKGRG-UHFFFAOYSA-N -2 3 391.268 2.391 20 0 GEADHL Cn1cc(S(=O)(=O)[N-]c2ccc3nc([C@@H]4CCCO4)[nH]c3c2)cc1C(=O)[O-] ZINC000299311311 600813140 /nfs/dbraw/zinc/81/31/40/600813140.db2.gz WRYQVMYARCBBLT-HNNXBMFYSA-N -2 3 390.421 2.252 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(CS(C)(=O)=O)c2C)cc1C(=O)[O-] ZINC000523980007 600816461 /nfs/dbraw/zinc/81/64/61/600816461.db2.gz XPOYQQXPMQSAHQ-UHFFFAOYSA-N -2 3 397.474 2.347 20 0 GEADHL CC(=O)N(C)c1cccc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)c1 ZINC000825823347 600817476 /nfs/dbraw/zinc/81/74/76/600817476.db2.gz PJFNJCAUZZASSJ-UHFFFAOYSA-N -2 3 392.433 2.324 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(CS(C)(=O)=O)cc2)ccc1C(=O)[O-] ZINC000506668659 600892170 /nfs/dbraw/zinc/89/21/70/600892170.db2.gz LCOKAADMWZPJGH-UHFFFAOYSA-N -2 3 383.447 2.039 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])c2ccccc2)oc1C ZINC000275303105 601220477 /nfs/dbraw/zinc/22/04/77/601220477.db2.gz QRPJXPFBHZTMSK-AWEZNQCLSA-N -2 3 381.406 2.259 20 0 GEADHL Cc1cccc(C)c1NC(=O)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000832965604 601229523 /nfs/dbraw/zinc/22/95/23/601229523.db2.gz RNXBKUQVPBMNSI-UHFFFAOYSA-N -2 3 398.387 2.197 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCc2cc(F)cc(F)c2)c1F ZINC000392941831 601233640 /nfs/dbraw/zinc/23/36/40/601233640.db2.gz PYIRCSNHTMUUBY-UHFFFAOYSA-N -2 3 377.315 2.462 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCOc2ccc(F)cc2F)c1F ZINC000833294268 601235212 /nfs/dbraw/zinc/23/52/12/601235212.db2.gz PKJSKSYKBBSHTO-UHFFFAOYSA-N -2 3 393.314 2.299 20 0 GEADHL Cc1cccn2cc(CC[N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3F)nc12 ZINC000832982218 601240476 /nfs/dbraw/zinc/24/04/76/601240476.db2.gz WGSAHVHCLREVEB-UHFFFAOYSA-N -2 3 395.387 2.140 20 0 GEADHL COC(=O)CC1([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCCCC1 ZINC000831138621 601240609 /nfs/dbraw/zinc/24/06/09/601240609.db2.gz BDQSSCVCRIIPBQ-UHFFFAOYSA-N -2 3 391.392 2.207 20 0 GEADHL CCC1CCC([N-]S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)(C(=O)OC)CC1 ZINC000829113224 601260561 /nfs/dbraw/zinc/26/05/61/601260561.db2.gz WNKOXRVRERCFKI-UHFFFAOYSA-N -2 3 383.466 2.316 20 0 GEADHL CCC1CCC([N-]S(=O)(=O)c2cc(C(=O)OC)cs2)(C(=O)[O-])CC1 ZINC000829112424 601260739 /nfs/dbraw/zinc/26/07/39/601260739.db2.gz KAKUSQKDCJVUOG-UHFFFAOYSA-N -2 3 375.468 2.237 20 0 GEADHL O=C([O-])CC1([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCOCC1 ZINC000833205836 601270847 /nfs/dbraw/zinc/27/08/47/601270847.db2.gz KRAHOWFBSABODF-UHFFFAOYSA-N -2 3 385.335 2.147 20 0 GEADHL Cn1cc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)cc1C(=O)[O-] ZINC000833052173 601321382 /nfs/dbraw/zinc/32/13/82/601321382.db2.gz PUFMUBWMNCLEFY-UHFFFAOYSA-N -2 3 397.428 2.192 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc3c(cc2F)CCC(=O)N3)ccc1F ZINC000032097829 601322162 /nfs/dbraw/zinc/32/21/62/601322162.db2.gz IVIDHUZHYNQYGT-UHFFFAOYSA-N -2 3 382.344 2.349 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(Cl)cc2)s1 ZINC000831444931 601387344 /nfs/dbraw/zinc/38/73/44/601387344.db2.gz WWYXGMNSDKLFMQ-GFCCVEGCSA-N -2 3 389.838 2.292 20 0 GEADHL COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@@H](C(=O)[O-])C1CC1 ZINC000054505317 601389163 /nfs/dbraw/zinc/38/91/63/601389163.db2.gz HXIIIOZSYWVLKJ-SNVBAGLBSA-N -2 3 398.662 2.253 20 0 GEADHL CCCCC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F)C(=O)[O-] ZINC000829340455 601403386 /nfs/dbraw/zinc/40/33/86/601403386.db2.gz PNHACTKMOUEOLX-SNVBAGLBSA-N -2 3 379.381 2.063 20 0 GEADHL C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1noc(Cc2ccccc2)n1 ZINC000827755270 601405816 /nfs/dbraw/zinc/40/58/16/601405816.db2.gz OSWNZPUUYOTFAU-JTQLQIEISA-N -2 3 393.446 2.460 20 0 GEADHL COC(=O)c1cc(C)nc2nc(SCc3occc3C(=O)[O-])[n-]c(=O)c21 ZINC000831247364 601406592 /nfs/dbraw/zinc/40/65/92/601406592.db2.gz AZTMHGUAXDISQK-UHFFFAOYSA-N -2 3 375.362 2.409 20 0 GEADHL O=C([O-])CC1(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)CCC1 ZINC000486062029 601434723 /nfs/dbraw/zinc/43/47/23/601434723.db2.gz TZTNZHWDLRRHIL-UHFFFAOYSA-N -2 3 395.412 2.082 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)cc1Cl ZINC000825884540 601444352 /nfs/dbraw/zinc/44/43/52/601444352.db2.gz XPQPCTXBIFQRRK-UHFFFAOYSA-N -2 3 378.809 2.113 20 0 GEADHL O=C([O-])c1csc(S(=O)(=O)[N-]c2cccn(Cc3ccccc3)c2=O)c1 ZINC000531780931 601492759 /nfs/dbraw/zinc/49/27/59/601492759.db2.gz BQJTXUFFVKLUQR-UHFFFAOYSA-N -2 3 390.442 2.457 20 0 GEADHL CC(C)[C@H]([N-]S(=O)(=O)CC1(CC(=O)[O-])CC1)c1nc(-c2cccnc2)no1 ZINC000826716805 601512575 /nfs/dbraw/zinc/51/25/75/601512575.db2.gz JUIHDVNHVPNOHQ-AWEZNQCLSA-N -2 3 394.453 2.003 20 0 GEADHL COc1cc(OC)cc(OCCC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c1 ZINC000832095914 601566055 /nfs/dbraw/zinc/56/60/55/601566055.db2.gz PCGJCTYDUWRWKA-UHFFFAOYSA-N -2 3 399.421 2.051 20 0 GEADHL CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC)C(=O)[O-] ZINC000035186301 601573425 /nfs/dbraw/zinc/57/34/25/601573425.db2.gz RAAWHSQLNKZCAS-MRVPVSSYSA-N -2 3 386.651 2.253 20 0 GEADHL COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C1CCCCC1 ZINC000831085036 601596687 /nfs/dbraw/zinc/59/66/87/601596687.db2.gz VVDBDIDPRJUWJK-CQSZACIVSA-N -2 3 391.392 2.063 20 0 GEADHL COc1ccc(CNC(=O)CC2(C(=O)[O-])CCCCCC2)cc1-c1nnn[n-]1 ZINC000826196995 607527968 /nfs/dbraw/zinc/52/79/68/607527968.db2.gz VZJGEIJJXQVLIF-UHFFFAOYSA-N -2 3 387.440 2.307 20 0 GEADHL COc1ccc(CNC(=O)CC2(C(=O)[O-])CCCCCC2)cc1-c1nn[n-]n1 ZINC000826196995 607527969 /nfs/dbraw/zinc/52/79/69/607527969.db2.gz VZJGEIJJXQVLIF-UHFFFAOYSA-N -2 3 387.440 2.307 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCC(=O)N3)c1-c1nn[n-]n1 ZINC000826303969 607536331 /nfs/dbraw/zinc/53/63/31/607536331.db2.gz PFTQDGKAASGMPE-UHFFFAOYSA-N -2 3 398.448 2.251 20 0 GEADHL CCCCn1ncc([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)c1C ZINC000825301503 607537284 /nfs/dbraw/zinc/53/72/84/607537284.db2.gz MQFOISIPZALLFB-UHFFFAOYSA-N -2 3 375.458 2.281 20 0 GEADHL CCCCn1ncc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c1C ZINC000825301503 607537285 /nfs/dbraw/zinc/53/72/85/607537285.db2.gz MQFOISIPZALLFB-UHFFFAOYSA-N -2 3 375.458 2.281 20 0 GEADHL COC(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)c1 ZINC000831188477 601988059 /nfs/dbraw/zinc/98/80/59/601988059.db2.gz ABQPFMFXAWNFHV-UHFFFAOYSA-N -2 3 393.417 2.056 20 0 GEADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)cc1C(=O)[O-] ZINC000462104126 601988235 /nfs/dbraw/zinc/98/82/35/601988235.db2.gz QLKCISMBFCEVIG-UHFFFAOYSA-N -3 3 379.390 2.211 20 0 GEADHL O=C([O-])N1CCC[C@H](C[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000740512417 601991561 /nfs/dbraw/zinc/99/15/61/601991561.db2.gz MRTFGQQVWHWVPO-MRVPVSSYSA-N -2 3 383.289 2.179 20 0 GEADHL O=C([O-])N1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000740733269 602004849 /nfs/dbraw/zinc/00/48/49/602004849.db2.gz UVHOJLWONXTFPQ-LSDHHAIUSA-N -2 3 386.408 2.099 20 0 GEADHL O=C([O-])N1CCC[C@@H]1[C@H]1CCCCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000740733266 602004896 /nfs/dbraw/zinc/00/48/96/602004896.db2.gz UVHOJLWONXTFPQ-HUUCEWRRSA-N -2 3 386.408 2.099 20 0 GEADHL Cc1c(C(=O)[N-]c2nc(C(C)(C)C)ns2)nnn1C1CCN(C(=O)[O-])CC1 ZINC000740040632 602102878 /nfs/dbraw/zinc/10/28/78/602102878.db2.gz CSYZNHNNVXBSEJ-UHFFFAOYSA-N -2 3 393.473 2.303 20 0 GEADHL Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc(Cl)c1=O ZINC000760366401 602106312 /nfs/dbraw/zinc/10/63/12/602106312.db2.gz XSKMQARSDJIFDZ-UHFFFAOYSA-N -2 3 395.195 2.330 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCc2ccccc2F)c(Br)o1 ZINC000238004296 602141308 /nfs/dbraw/zinc/14/13/08/602141308.db2.gz QVDPVCAATRAVID-UHFFFAOYSA-N -2 3 392.202 2.400 20 0 GEADHL Cn1cc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccn4)[nH]c3c2)cc1C(=O)[O-] ZINC000484105724 602175121 /nfs/dbraw/zinc/17/51/21/602175121.db2.gz LAJXPUYUNYLCCX-UHFFFAOYSA-N -2 3 397.416 2.462 20 0 GEADHL Cc1ccc(C(=O)NCCC(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])c([O-])c1 ZINC000740107015 602258413 /nfs/dbraw/zinc/25/84/13/602258413.db2.gz OREWEUOCJSKLCV-UHFFFAOYSA-N -2 3 383.404 2.500 20 0 GEADHL O=C([O-])c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc2[nH]nnc2c1 ZINC000833312841 602319628 /nfs/dbraw/zinc/31/96/28/602319628.db2.gz YAPDHLJHDBDSIT-UHFFFAOYSA-N -2 3 386.311 2.476 20 0 GEADHL O=C([O-])c1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc2n[nH]nc2c1 ZINC000833312841 602319630 /nfs/dbraw/zinc/31/96/30/602319630.db2.gz YAPDHLJHDBDSIT-UHFFFAOYSA-N -2 3 386.311 2.476 20 0 GEADHL O=C([O-])c1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)cc1F ZINC000833153027 602361667 /nfs/dbraw/zinc/36/16/67/602361667.db2.gz CHWSTATYGIGOCD-UHFFFAOYSA-N -2 3 396.371 2.356 20 0 GEADHL CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)CCCNC(=O)[O-] ZINC000738163336 602522554 /nfs/dbraw/zinc/52/25/54/602522554.db2.gz BBOXJYQBQVSZTN-UHFFFAOYSA-N -2 3 383.348 2.063 20 0 GEADHL CCC[C@H](NC(=O)[O-])C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000739321610 602522570 /nfs/dbraw/zinc/52/25/70/602522570.db2.gz VVKDGDOHYPBBPR-JTQLQIEISA-N -2 3 397.375 2.452 20 0 GEADHL CC(C)C[C@H](CNC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000738812205 602567528 /nfs/dbraw/zinc/56/75/28/602567528.db2.gz PSYSKSJTPQMQIG-MRVPVSSYSA-N -2 3 385.305 2.471 20 0 GEADHL COc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1NC(=O)[O-] ZINC000829483245 603494380 /nfs/dbraw/zinc/49/43/80/603494380.db2.gz GFTIYXZPPUGENR-UHFFFAOYSA-N -2 3 389.389 2.427 20 0 GEADHL C[C@@H](CC(=O)Nc1ccccc1[N-]S(C)(=O)=O)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824702107 604298763 /nfs/dbraw/zinc/29/87/63/604298763.db2.gz AAMLGRUTUAVYKW-STQMWFEESA-N -2 3 383.470 2.413 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@@H](CCO)c2ccccc2)c1F ZINC000833294812 604356850 /nfs/dbraw/zinc/35/68/50/604356850.db2.gz IJKCOTHOOAWPQB-GFCCVEGCSA-N -2 3 385.388 2.108 20 0 GEADHL C[C@H](O)C[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)c1ccccc1 ZINC000827790221 604408025 /nfs/dbraw/zinc/40/80/25/604408025.db2.gz OTILJHLMUNBTEC-AAEUAGOBSA-N -2 3 399.415 2.496 20 0 GEADHL C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Br)cc2F)CCO1 ZINC000833597773 604705307 /nfs/dbraw/zinc/70/53/07/604705307.db2.gz MOLJAUZEWICZMG-JGVFFNPUSA-N -2 3 396.234 2.132 20 0 GEADHL COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc3c(cc2[O-])OCO3)c(OC)c1 ZINC000833732727 604739870 /nfs/dbraw/zinc/73/98/70/604739870.db2.gz ZTNDSESNYPOMLV-CYBMUJFWSA-N -2 3 389.360 2.084 20 0 GEADHL CN1CC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)[C@H]1c1ccc(Cl)cc1 ZINC000833697144 604909226 /nfs/dbraw/zinc/90/92/26/604909226.db2.gz DAPGKPLMZBNRHF-UKRRQHHQSA-N -2 3 384.841 2.355 20 0 GEADHL COCCOC(=O)c1sc2[n-]c(-c3cc(C(=O)[O-])ccn3)nc(=O)c2c1C ZINC000831757441 604971519 /nfs/dbraw/zinc/97/15/19/604971519.db2.gz OVISONMSRNFADN-UHFFFAOYSA-N -2 3 389.389 2.269 20 0 GEADHL C[C@@H](c1ccccc1)[C@@H](CO)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000833549304 605036444 /nfs/dbraw/zinc/03/64/44/605036444.db2.gz PZTRZJXTQZWZRM-GXFFZTMASA-N -2 3 385.388 2.106 20 0 GEADHL O=C([O-])Cc1ccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000833775380 605038324 /nfs/dbraw/zinc/03/83/24/605038324.db2.gz GLXWGZGRUSBMQU-UHFFFAOYSA-N -2 3 383.404 2.009 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)cc1CC(=O)[O-] ZINC000538138522 605041314 /nfs/dbraw/zinc/04/13/14/605041314.db2.gz KKEWPHIRGCYKLU-UHFFFAOYSA-N -3 3 399.808 2.475 20 0 GEADHL CC(C)(C)OC(=O)C1([N-]S(=O)(=O)c2csnc2C(=O)[O-])CCCCC1 ZINC000833431441 605050197 /nfs/dbraw/zinc/05/01/97/605050197.db2.gz YOIMXSZJLJGYJZ-UHFFFAOYSA-N -2 3 390.483 2.164 20 0 GEADHL CC(C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)c1ccc2c(c1)OCCO2 ZINC000645960538 605199065 /nfs/dbraw/zinc/19/90/65/605199065.db2.gz BRUFEGBUSPOHJM-UHFFFAOYSA-N -2 3 381.406 2.005 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C[C@H](OC)C3)cc1C(=O)[O-] 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CCn1nc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)cc1C1CC1 ZINC000821568006 606624904 /nfs/dbraw/zinc/62/49/04/606624904.db2.gz DBGCZZVPYKDAOB-UHFFFAOYSA-N -2 3 393.860 2.415 20 0 GEADHL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2Cl)o1 ZINC000821343237 606710782 /nfs/dbraw/zinc/71/07/82/606710782.db2.gz MAVLLWNPGDLGGQ-UHFFFAOYSA-N -2 3 397.800 2.091 20 0 GEADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000821589649 606751092 /nfs/dbraw/zinc/75/10/92/606751092.db2.gz XIEJYWGLGFEJJF-UHFFFAOYSA-N -2 3 398.370 2.151 20 0 GEADHL O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000823387472 606765253 /nfs/dbraw/zinc/76/52/53/606765253.db2.gz LFOIFGWBFXGTCV-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000823387472 606765254 /nfs/dbraw/zinc/76/52/54/606765254.db2.gz LFOIFGWBFXGTCV-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL COc1cc(C)ccc1[N-]S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000821713267 606865918 /nfs/dbraw/zinc/86/59/18/606865918.db2.gz TXPSYGTYCZXSAL-UHFFFAOYSA-N -2 3 381.364 2.263 20 0 GEADHL COc1cc(C)ccc1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000821713267 606865919 /nfs/dbraw/zinc/86/59/19/606865919.db2.gz TXPSYGTYCZXSAL-UHFFFAOYSA-N -2 3 381.364 2.263 20 0 GEADHL O=S(=O)([N-]CC1(c2ccccc2)CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572209 606885368 /nfs/dbraw/zinc/88/53/68/606885368.db2.gz DSORJEKPQFUEQA-UHFFFAOYSA-N -2 3 391.403 2.155 20 0 GEADHL Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)s1 ZINC000822234726 606892505 /nfs/dbraw/zinc/89/25/05/606892505.db2.gz FVXIDPQKFPXRHY-MRVPVSSYSA-N -2 3 399.448 2.424 20 0 GEADHL O=S(=O)([N-][C@H]1C[C@@H]1Cc1ccccc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823573756 606895117 /nfs/dbraw/zinc/89/51/17/606895117.db2.gz YQSDHUDSRCYZBE-NHYWBVRUSA-N -2 3 391.403 2.054 20 0 GEADHL Cc1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)ccc1Cl ZINC000822175939 607095368 /nfs/dbraw/zinc/09/53/68/607095368.db2.gz BYDYHDOBBJSECM-UHFFFAOYSA-N -2 3 391.840 2.088 20 0 GEADHL Cc1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC000822175939 607095369 /nfs/dbraw/zinc/09/53/69/607095369.db2.gz BYDYHDOBBJSECM-UHFFFAOYSA-N -2 3 391.840 2.088 20 0 GEADHL Cc1nc(SCC(=O)NCCCCCC(=O)[O-])c(-c2nnn[n-]2)c(C)c1C ZINC000822454399 607109162 /nfs/dbraw/zinc/10/91/62/607109162.db2.gz WTKCJUWQAYMLDX-UHFFFAOYSA-N -2 3 392.485 2.040 20 0 GEADHL Cc1nc(SCC(=O)NCCCCCC(=O)[O-])c(-c2nn[n-]n2)c(C)c1C ZINC000822454399 607109163 /nfs/dbraw/zinc/10/91/63/607109163.db2.gz WTKCJUWQAYMLDX-UHFFFAOYSA-N -2 3 392.485 2.040 20 0 GEADHL O=C([O-])CSCc1cccc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823387807 607110945 /nfs/dbraw/zinc/11/09/45/607110945.db2.gz YSBSDKUFRPIUQV-UHFFFAOYSA-N -2 3 399.432 2.202 20 0 GEADHL O=S(=O)([N-][C@@H]1CCCC(F)(F)C1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572200 607146196 /nfs/dbraw/zinc/14/61/96/607146196.db2.gz DPEHFGIFGBPOMY-MRVPVSSYSA-N -2 3 379.339 2.001 20 0 GEADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000826260821 607809517 /nfs/dbraw/zinc/80/95/17/607809517.db2.gz FZCSLFUWRCUUJW-UHFFFAOYSA-N -3 3 391.384 2.122 20 0 GEADHL CC1(C)CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)C1 ZINC000824801745 607922004 /nfs/dbraw/zinc/92/20/04/607922004.db2.gz HWIRISKBDCMJHX-GFCCVEGCSA-N -2 3 377.470 2.029 20 0 GEADHL CC1(C)CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)C1 ZINC000824801745 607922005 /nfs/dbraw/zinc/92/20/05/607922005.db2.gz HWIRISKBDCMJHX-GFCCVEGCSA-N -2 3 377.470 2.029 20 0 GEADHL CC1(C)CCC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824801106 607922305 /nfs/dbraw/zinc/92/23/05/607922305.db2.gz AWEPSIHSRMGSCS-AWEZNQCLSA-N -2 3 377.470 2.029 20 0 GEADHL CC1(C)CCC[C@H](C(=O)[N-]S(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824801106 607922306 /nfs/dbraw/zinc/92/23/06/607922306.db2.gz AWEPSIHSRMGSCS-AWEZNQCLSA-N -2 3 377.470 2.029 20 0 GEADHL CC1(C)CCC[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824802320 607923072 /nfs/dbraw/zinc/92/30/72/607923072.db2.gz LVBIYAVTPYAEPY-AWEZNQCLSA-N -2 3 377.470 2.029 20 0 GEADHL CC1(C)CCC[C@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824802320 607923073 /nfs/dbraw/zinc/92/30/73/607923073.db2.gz LVBIYAVTPYAEPY-AWEZNQCLSA-N -2 3 377.470 2.029 20 0 GEADHL CC1(C)CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824802322 607923316 /nfs/dbraw/zinc/92/33/16/607923316.db2.gz LVBIYAVTPYAEPY-CQSZACIVSA-N -2 3 377.470 2.029 20 0 GEADHL CC1(C)CCC[C@@H](C(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824802322 607923315 /nfs/dbraw/zinc/92/33/15/607923315.db2.gz LVBIYAVTPYAEPY-CQSZACIVSA-N -2 3 377.470 2.029 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)[C@H](c1ccccc1)C1CC1 ZINC000826279363 608248981 /nfs/dbraw/zinc/24/89/81/608248981.db2.gz OEDITSOEQOZMSX-QGZVFWFLSA-N -2 3 397.460 2.174 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)[C@H](c1ccccc1)C1CC1 ZINC000826279363 608248982 /nfs/dbraw/zinc/24/89/82/608248982.db2.gz OEDITSOEQOZMSX-QGZVFWFLSA-N -2 3 397.460 2.174 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cnn1CC(C)C ZINC000826280206 608269436 /nfs/dbraw/zinc/26/94/36/608269436.db2.gz REAZZGISYOTTPK-UHFFFAOYSA-N -2 3 375.458 2.137 20 0 GEADHL Cc1nc(Br)ccc1[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826323002 608294634 /nfs/dbraw/zinc/29/46/34/608294634.db2.gz LMSHMYAQPLLZNH-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL CCOC(=O)c1cnc(C=Cc2ccc(-c3nnn[n-]3)cc2F)c(C(=O)[O-])c1 ZINC000825564579 608385972 /nfs/dbraw/zinc/38/59/72/608385972.db2.gz ABHOVWRTOAINSZ-AATRIKPKSA-N -2 3 383.339 2.446 20 0 GEADHL CCOC(=O)c1cnc(C=Cc2ccc(-c3nn[n-]n3)cc2F)c(C(=O)[O-])c1 ZINC000825564579 608385974 /nfs/dbraw/zinc/38/59/74/608385974.db2.gz ABHOVWRTOAINSZ-AATRIKPKSA-N -2 3 383.339 2.446 20 0 GEADHL Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826249617 608456873 /nfs/dbraw/zinc/45/68/73/608456873.db2.gz LISNSBWNPBFMFD-UHFFFAOYSA-N -2 3 391.840 2.256 20 0 GEADHL Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826249617 608456875 /nfs/dbraw/zinc/45/68/75/608456875.db2.gz LISNSBWNPBFMFD-UHFFFAOYSA-N -2 3 391.840 2.256 20 0 GEADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C[C@@H](C)C1 ZINC000824877625 609146974 /nfs/dbraw/zinc/14/69/74/609146974.db2.gz ZIUABXOVTSZTSM-URLYPYJESA-N -2 3 397.888 2.397 20 0 GEADHL C[C@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C[C@@H](C)C1 ZINC000824877625 609146976 /nfs/dbraw/zinc/14/69/76/609146976.db2.gz ZIUABXOVTSZTSM-URLYPYJESA-N -2 3 397.888 2.397 20 0 GEADHL Cc1cc(C)cc(CCC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826264251 609256919 /nfs/dbraw/zinc/25/69/19/609256919.db2.gz HLUHIWWYEVYZDW-UHFFFAOYSA-N -2 3 399.476 2.062 20 0 GEADHL Cc1cc(C)cc(CCC(=O)[N-]S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826264251 609256920 /nfs/dbraw/zinc/25/69/20/609256920.db2.gz HLUHIWWYEVYZDW-UHFFFAOYSA-N -2 3 399.476 2.062 20 0 GEADHL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccccc1-c1nn[n-]n1 ZINC000826333941 609500208 /nfs/dbraw/zinc/50/02/08/609500208.db2.gz ALCSDPIETYQFQF-UHFFFAOYSA-N -2 3 375.458 2.137 20 0 GEADHL O=S(=O)([N-]c1ccc2c(c1)OCO2)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826492899 609525315 /nfs/dbraw/zinc/52/53/15/609525315.db2.gz KKTQRFZKEUTQGW-UHFFFAOYSA-N -2 3 379.785 2.050 20 0 GEADHL O=S(=O)([N-]c1ccc2c(c1)OCO2)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826492899 609525316 /nfs/dbraw/zinc/52/53/16/609525316.db2.gz KKTQRFZKEUTQGW-UHFFFAOYSA-N -2 3 379.785 2.050 20 0 GEADHL O=S(=O)([N-]c1ccc2nccnc2c1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000826493187 609526464 /nfs/dbraw/zinc/52/64/64/609526464.db2.gz XLTSISSOUQJJEE-UHFFFAOYSA-N -2 3 387.812 2.264 20 0 GEADHL O=S(=O)([N-]c1ccc2nccnc2c1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000826493187 609526465 /nfs/dbraw/zinc/52/64/65/609526465.db2.gz XLTSISSOUQJJEE-UHFFFAOYSA-N -2 3 387.812 2.264 20 0 GEADHL Cc1noc2ncc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3Cl)cc12 ZINC000826340267 609528894 /nfs/dbraw/zinc/52/88/94/609528894.db2.gz PLFRIVOMFUAYOP-UHFFFAOYSA-N -2 3 391.800 2.166 20 0 GEADHL Cc1noc2ncc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3Cl)cc12 ZINC000826340267 609528897 /nfs/dbraw/zinc/52/88/97/609528897.db2.gz PLFRIVOMFUAYOP-UHFFFAOYSA-N -2 3 391.800 2.166 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cc1C(=O)[O-] ZINC000826291845 609529102 /nfs/dbraw/zinc/52/91/02/609529102.db2.gz YPRGOUSGOWCELV-UHFFFAOYSA-N -3 3 393.812 2.328 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cc1C(=O)[O-] ZINC000826291845 609529103 /nfs/dbraw/zinc/52/91/03/609529103.db2.gz YPRGOUSGOWCELV-UHFFFAOYSA-N -3 3 393.812 2.328 20 0 GEADHL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Cc2nnn[n-]2)cc1 ZINC000447264996 650004603 /nfs/dbraw/zinc/00/46/03/650004603.db2.gz OUFBODLTMPHXPZ-UHFFFAOYSA-N -2 3 379.829 2.253 20 0 GEADHL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(Cc2nn[n-]n2)cc1 ZINC000447264996 650004604 /nfs/dbraw/zinc/00/46/04/650004604.db2.gz OUFBODLTMPHXPZ-UHFFFAOYSA-N -2 3 379.829 2.253 20 0 GEADHL Cc1nscc1C(=O)[N-]c1nnc([N-]S(=O)(=O)c2ccccc2)s1 ZINC000511918250 650542403 /nfs/dbraw/zinc/54/24/03/650542403.db2.gz ZJZQWMTUPMHJDE-UHFFFAOYSA-N -2 3 381.464 2.356 20 0 GEADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3cccc(Br)c3)ccc21 ZINC000520712446 650615682 /nfs/dbraw/zinc/61/56/82/650615682.db2.gz DVVYGXBTWYJEIG-UHFFFAOYSA-N -2 3 381.207 2.134 20 0 GEADHL O=C([N-][N-]S(=O)(=O)c1ccc(F)cc1Br)c1ccccc1F ZINC000045774444 642596108 /nfs/dbraw/zinc/59/61/08/642596108.db2.gz HCVZJCUCDAJPJV-UHFFFAOYSA-N -2 3 391.193 2.351 20 0 GEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(Cl)c2-n2cncn2)c1 ZINC000537195769 650811488 /nfs/dbraw/zinc/81/14/88/650811488.db2.gz WMXFHHSSNNNPOB-UHFFFAOYSA-N -2 3 380.813 2.436 20 0 GEADHL NC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)c1 ZINC000540983991 650867606 /nfs/dbraw/zinc/86/76/06/650867606.db2.gz QCBXNKLDERBVOQ-UHFFFAOYSA-N -2 3 390.751 2.216 20 0 GEADHL COc1cc(C)[n-]c(=N[N-]S(=O)(=O)c2ccc(Br)cc2F)n1 ZINC000133534547 643896214 /nfs/dbraw/zinc/89/62/14/643896214.db2.gz LYOZAEIRMSFVID-UHFFFAOYSA-N -2 3 391.222 2.001 20 0 GEADHL CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000544849826 650956106 /nfs/dbraw/zinc/95/61/06/650956106.db2.gz ZTZJBDBHGHLHBY-MRVPVSSYSA-N -2 3 392.396 2.207 20 0 GEADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-][N-]C(=O)CC(C)(C)C ZINC000183049872 644977481 /nfs/dbraw/zinc/97/74/81/644977481.db2.gz UNHWIEWCKMTXOU-UHFFFAOYSA-N -2 3 397.266 2.343 20 0 GEADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-][N-]C(=O)CCC(C)C ZINC000183046284 644977499 /nfs/dbraw/zinc/97/74/99/644977499.db2.gz XUKULDYYJVQULE-UHFFFAOYSA-N -2 3 397.266 2.343 20 0 GEADHL CCOC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)C(C)C ZINC000232390108 645405085 /nfs/dbraw/zinc/40/50/85/645405085.db2.gz IRVKCLGXBTUZIO-QMMMGPOBSA-N -2 3 384.248 2.080 20 0 GEADHL Cc1cc(C)n(C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C(=O)[O-])n1 ZINC000547552700 651031621 /nfs/dbraw/zinc/03/16/21/651031621.db2.gz KHZOEJNXQMPKOT-GFCCVEGCSA-N -2 3 392.264 2.238 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]C[C@@H](C)CCC(=O)[O-])cc1Cl ZINC000547562139 651032914 /nfs/dbraw/zinc/03/29/14/651032914.db2.gz IILZPPKYRCXHSZ-QMMMGPOBSA-N -2 3 380.825 2.217 20 0 GEADHL CC[C@@](C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-] ZINC000547564315 651032926 /nfs/dbraw/zinc/03/29/26/651032926.db2.gz FSHMRIPUODBLKZ-LBPRGKRZSA-N -2 3 384.332 2.393 20 0 GEADHL COc1ccccc1[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)cc1F)C(=O)[O-] ZINC000547872321 651049265 /nfs/dbraw/zinc/04/92/65/651049265.db2.gz CIGCVILKOFINOP-CQSZACIVSA-N -2 3 375.324 2.217 20 0 GEADHL Cc1cc(C)n(C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C(=O)[O-])n1 ZINC000547878807 651050167 /nfs/dbraw/zinc/05/01/67/651050167.db2.gz CZUDLHVIUCGGFJ-NSHDSACASA-N -2 3 392.264 2.238 20 0 GEADHL Cc1cc(S(=O)(=O)[N-][C@@H](Cc2ccco2)C(=O)[O-])sc1Br ZINC000547885129 651050845 /nfs/dbraw/zinc/05/08/45/651050845.db2.gz POAYRXGYLFPPDR-VIFPVBQESA-N -2 3 394.268 2.386 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2nc(C)c(C)o2)cc1F ZINC000272182618 646260738 /nfs/dbraw/zinc/26/07/38/646260738.db2.gz SVXPQYPADOCNTE-UHFFFAOYSA-N -2 3 391.446 2.383 20 0 GEADHL COC(=O)c1cc(OC)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])CC(C)(C)C)s1 ZINC000274929678 646334855 /nfs/dbraw/zinc/33/48/55/646334855.db2.gz CFOWJZYLFAXCIS-VIFPVBQESA-N -2 3 393.483 2.101 20 0 GEADHL O=C([O-])/C=C/C[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000310622451 647281446 /nfs/dbraw/zinc/28/14/46/647281446.db2.gz HYRDWEZXAYJHKI-OWOJBTEDSA-N -2 3 399.060 2.131 20 0 GEADHL O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)c1cccnc1Cl ZINC000327176833 647306414 /nfs/dbraw/zinc/30/64/14/647306414.db2.gz BQJUGEOIGSLYQR-CYBMUJFWSA-N -2 3 379.825 2.191 20 0 GEADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccccc1Br ZINC000548200022 651067579 /nfs/dbraw/zinc/06/75/79/651067579.db2.gz VWLYTOADMFSHGE-LLVKDONJSA-N -2 3 389.227 2.158 20 0 GEADHL CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])cc1 ZINC000548237397 651070935 /nfs/dbraw/zinc/07/09/35/651070935.db2.gz JHCCSSQORATWCO-UHFFFAOYSA-N -2 3 387.410 2.118 20 0 GEADHL CCC[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000548240950 651071434 /nfs/dbraw/zinc/07/14/34/651071434.db2.gz QBQRRBAXHGCNFW-ONGXEEELSA-N -2 3 389.779 2.251 20 0 GEADHL CCC[C@@H](O)[C@@H]([N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)C(=O)[O-] ZINC000548262316 651074145 /nfs/dbraw/zinc/07/41/45/651074145.db2.gz FMAQIUAWBPXRAD-DGCLKSJQSA-N -2 3 375.830 2.287 20 0 GEADHL COC(=O)c1c[n-]c(C(=O)OC)c1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000551467275 651125171 /nfs/dbraw/zinc/12/51/71/651125171.db2.gz BPDKZPXLQABKJV-UHFFFAOYSA-N -2 3 390.776 2.181 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2O)cc1F ZINC000552304776 651146599 /nfs/dbraw/zinc/14/65/99/651146599.db2.gz BMDITQKPWOLGQJ-UHFFFAOYSA-N -2 3 388.442 2.402 20 0 GEADHL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c1F ZINC000554687075 651210205 /nfs/dbraw/zinc/21/02/05/651210205.db2.gz DBFOUPCKQKNBFF-UHFFFAOYSA-N -3 3 389.382 2.401 20 0 GEADHL CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cccc(F)c1C(=O)OC)C(=O)[O-] ZINC000555456660 651226596 /nfs/dbraw/zinc/22/65/96/651226596.db2.gz TVZRVBSSZVJRGS-PWSUYJOCSA-N -2 3 375.418 2.170 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)[C@@H]1CCOC1 ZINC000560417868 651309129 /nfs/dbraw/zinc/30/91/29/651309129.db2.gz IKFZZFQNPIQFLG-RDDDGLTNSA-N -2 3 387.763 2.127 20 0 GEADHL C[C@@]1(C(=O)[O-])CCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000648337155 651780084 /nfs/dbraw/zinc/78/00/84/651780084.db2.gz LGJSNBZHGKSMFE-INIZCTEOSA-N -2 3 379.210 2.370 20 0 GEADHL COc1ccccc1C[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C(C)C ZINC000572153179 651876379 /nfs/dbraw/zinc/87/63/79/651876379.db2.gz HOORSBBJNGKFSB-GFCCVEGCSA-N -2 3 384.479 2.396 20 0 GEADHL O=C([O-])[C@H](Cc1c[nH]c2cccnc12)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000572466338 651894233 /nfs/dbraw/zinc/89/42/33/651894233.db2.gz XXXZERXPRVMHLV-JTQLQIEISA-N -2 3 385.854 2.252 20 0 GEADHL COC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C)c1ccc(F)c(F)c1 ZINC000574200624 652007343 /nfs/dbraw/zinc/00/73/43/652007343.db2.gz WOMXQLXMYSWYOQ-GFCCVEGCSA-N -2 3 375.349 2.230 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]N=c2ccc(C(F)(F)F)c[nH]2)c(F)c1 ZINC000743249379 652015496 /nfs/dbraw/zinc/01/54/96/652015496.db2.gz ADKPEXJMGZNUBI-UHFFFAOYSA-N -2 3 379.291 2.243 20 0 GEADHL O=C([O-])[C@H](CC(F)F)[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000656510963 652030204 /nfs/dbraw/zinc/03/02/04/652030204.db2.gz NGMDOMKLRPKUNC-QMMMGPOBSA-N -2 3 392.605 2.489 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2CCC(=O)[O-])s1 ZINC000578851961 652299067 /nfs/dbraw/zinc/29/90/67/652299067.db2.gz PTIKHIXMHVIQJO-MNOVXSKESA-N -2 3 375.468 2.237 20 0 GEADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cccc(SC)c1 ZINC000582458744 652450752 /nfs/dbraw/zinc/45/07/52/652450752.db2.gz ARIHAYQYOCXSHD-UHFFFAOYSA-N -2 3 390.483 2.257 20 0 GEADHL Cc1cc(S(=O)(=O)[N-][C@H](C)COc2ccc(F)cc2F)oc1C(=O)[O-] ZINC000663418627 652497559 /nfs/dbraw/zinc/49/75/59/652497559.db2.gz JPFIEHSWNXBZIL-SECBINFHSA-N -2 3 375.349 2.310 20 0 GEADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000584502400 652523256 /nfs/dbraw/zinc/52/32/56/652523256.db2.gz ANPQWNMZZGQSBK-UHFFFAOYSA-N -2 3 394.396 2.121 20 0 GEADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000584716619 652526859 /nfs/dbraw/zinc/52/68/59/652526859.db2.gz HEARZBUTTJVCTE-YPMHNXCESA-N -2 3 386.426 2.179 20 0 GEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cc(C)cc(Br)c2)c[n-]1 ZINC000585730566 652534873 /nfs/dbraw/zinc/53/48/73/652534873.db2.gz YUCBHDNRWLINNH-UHFFFAOYSA-N -2 3 388.243 2.458 20 0 GEADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CCC2)c(F)cc1Br ZINC000666156076 652568090 /nfs/dbraw/zinc/56/80/90/652568090.db2.gz JVDQIWUNMSIHLE-LBPRGKRZSA-N -2 3 380.235 2.428 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)C2CC2)cc1Cl ZINC000669838877 652720947 /nfs/dbraw/zinc/72/09/47/652720947.db2.gz YVOALFUTLXGQBJ-NXSYQRQQSA-N -2 3 392.836 2.215 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OCCO)cc2)cc(Cl)c1F ZINC000767738812 652947524 /nfs/dbraw/zinc/94/75/24/652947524.db2.gz PRTUPVSFOCBQPK-UHFFFAOYSA-N -2 3 389.788 2.349 20 0 GEADHL Cn1ncc([N-]S(=O)(=O)/C=C/c2ccc(Br)cc2)c1C(=O)[O-] ZINC000774620248 653243541 /nfs/dbraw/zinc/24/35/41/653243541.db2.gz AMFILXKHTUWHGD-VOTSOKGWSA-N -2 3 386.227 2.293 20 0 GEADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C1CC1 ZINC000776574056 653360477 /nfs/dbraw/zinc/36/04/77/653360477.db2.gz INMAKLCYKSYWAE-JTQLQIEISA-N -2 3 396.234 2.128 20 0 GEADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC000776617051 653365321 /nfs/dbraw/zinc/36/53/21/653365321.db2.gz RGUXUXMNFRGJNY-GFCCVEGCSA-N -2 3 375.418 2.170 20 0 GEADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cccc(C(F)F)c1 ZINC000811833284 653408776 /nfs/dbraw/zinc/40/87/76/653408776.db2.gz VWPNHDFALBXDHN-UHFFFAOYSA-N -2 3 394.396 2.472 20 0 GEADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-][C@H]2CCn3ccnc3C2)c1 ZINC000777950424 653413092 /nfs/dbraw/zinc/41/30/92/653413092.db2.gz QKZJBHSJFCMRTP-VIFPVBQESA-N -2 3 390.248 2.181 20 0 GEADHL C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)c2nonc21)C(=O)[O-] ZINC000837289200 653420239 /nfs/dbraw/zinc/42/02/39/653420239.db2.gz WLNRSJOEXMBVHX-BDAKNGLRSA-N -2 3 375.834 2.434 20 0 GEADHL CC[C@@H](CC[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C)C(=O)[O-] ZINC000837291932 653422032 /nfs/dbraw/zinc/42/20/32/653422032.db2.gz MKRVUYBWAGAMOU-QMMMGPOBSA-N -2 3 383.875 2.276 20 0 GEADHL O=C([O-])[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000837296599 653424730 /nfs/dbraw/zinc/42/47/30/653424730.db2.gz ODHWZNBZOFTQDV-VXNVDRBHSA-N -2 3 397.678 2.277 20 0 GEADHL CC(C)[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CCO1 ZINC000840892510 653698339 /nfs/dbraw/zinc/69/83/39/653698339.db2.gz VOXFFNQOBFBBQP-HZMBPMFUSA-N -2 3 377.409 2.393 20 0 GEADHL CC1(C)C[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)CCO1 ZINC000840897415 653699574 /nfs/dbraw/zinc/69/95/74/653699574.db2.gz PBYRHHYMXDKIAG-MRVPVSSYSA-N -2 3 396.259 2.224 20 0 GEADHL CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]c1cc(Cc2ccccc2)ccc1[O-] ZINC000882708733 653799243 /nfs/dbraw/zinc/79/92/43/653799243.db2.gz SXTPOBGJPIEWAH-DEOSSOPVSA-N -2 3 383.495 2.214 20 0 GEADHL Cc1nc(CCC[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)sc1C(=O)[O-] ZINC000844785622 653818048 /nfs/dbraw/zinc/81/80/48/653818048.db2.gz MGRNNUGTAYGRFP-UHFFFAOYSA-N -2 3 393.849 2.248 20 0 GEADHL Cc1ccc(C[C@@H](C[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)C(=O)[O-])cc1 ZINC000844790148 653818202 /nfs/dbraw/zinc/81/82/02/653818202.db2.gz VYYWNALNJQRAQQ-LBPRGKRZSA-N -2 3 386.832 2.404 20 0 GEADHL COC(=O)c1sc(S(=O)(=O)[N-]C2([C@H](C)C(=O)[O-])CC2)c(C)c1Cl ZINC000844820775 653820552 /nfs/dbraw/zinc/82/05/52/653820552.db2.gz ZACMCNARYRCMBG-SSDOTTSWSA-N -2 3 381.859 2.028 20 0 GEADHL CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000794763406 653919541 /nfs/dbraw/zinc/91/95/41/653919541.db2.gz DQPOMZBDQAVSBQ-GFCCVEGCSA-N -2 3 375.418 2.028 20 0 GEADHL O=S(=O)(C[C@H]1CCCOC1)[N-]c1cc(I)ccc1[O-] ZINC000795343864 653946815 /nfs/dbraw/zinc/94/68/15/653946815.db2.gz RCMOFHUBAHUXLH-VIFPVBQESA-N -2 3 397.234 2.165 20 0 GEADHL CSCCCCCC[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826228583 653948765 /nfs/dbraw/zinc/94/87/65/653948765.db2.gz TZOLMNAYFKLRID-UHFFFAOYSA-N -2 3 391.469 2.347 20 0 GEADHL O=C([O-])c1cccc(CC[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)n1 ZINC000798411772 654062174 /nfs/dbraw/zinc/06/21/74/654062174.db2.gz WGSZFHXWSNGFOF-UHFFFAOYSA-N -2 3 376.221 2.003 20 0 GEADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cccs2)c1 ZINC000920315930 654210337 /nfs/dbraw/zinc/21/03/37/654210337.db2.gz QAGHSUIXONGNNS-NSHDSACASA-N -2 3 387.410 2.168 20 0 GEADHL O=C([O-])C1CC2(C1)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)CCO2 ZINC000903033139 654211984 /nfs/dbraw/zinc/21/19/84/654211984.db2.gz QUIDSDPTJPFUNQ-UQACVICXSA-N -2 3 377.821 2.170 20 0 GEADHL CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F)c1ccsc1 ZINC000871802773 654260566 /nfs/dbraw/zinc/26/05/66/654260566.db2.gz OGTFETRWUIGZBA-LBPRGKRZSA-N -2 3 390.433 2.306 20 0 GEADHL CC[C@H]([N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br)[C@H]1CCCO1 ZINC000871927054 654281614 /nfs/dbraw/zinc/28/16/14/654281614.db2.gz ORRBMIQGYBWDJR-DTWKUNHWSA-N -2 3 398.300 2.445 20 0 GEADHL C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)O1 ZINC000871983602 654300753 /nfs/dbraw/zinc/30/07/53/654300753.db2.gz KGYTYZUZPRKXRZ-SFYZADRCSA-N -2 3 398.300 2.445 20 0 GEADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCO[C@@](C)(C(=O)[O-])C2)sc1Br ZINC000906007719 654400783 /nfs/dbraw/zinc/40/07/83/654400783.db2.gz BMEREDUGUDHONN-PRHODGIISA-N -2 3 398.300 2.120 20 0 GEADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCO[C@](C)(C(=O)[O-])C2)s1 ZINC000906008827 654401452 /nfs/dbraw/zinc/40/14/52/654401452.db2.gz JEEWOVHXKWIJLY-UFBFGSQYSA-N -2 3 398.300 2.120 20 0 GEADHL CCc1ccc(S(=O)(=O)[N-]c2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)s1 ZINC000055594167 531795776 /nfs/dbraw/zinc/79/57/76/531795776.db2.gz CGLAXQIYMMFMBK-MRXNPFEDSA-N -2 3 379.463 2.166 20 0 GEADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-]CC(C)(C)C(=O)[O-] ZINC000164867696 531869736 /nfs/dbraw/zinc/86/97/36/531869736.db2.gz GWMZDESOOWMJNZ-UHFFFAOYSA-N -2 3 380.260 2.237 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]Cc2nc(C(=O)[O-])cs2)sc1Br ZINC000123589141 532102775 /nfs/dbraw/zinc/10/27/75/532102775.db2.gz KNLYVIOIZNJIKV-UHFFFAOYSA-N -2 3 397.297 2.452 20 0 GEADHL COc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H](C)CCC(=O)[O-] ZINC000123898580 532110850 /nfs/dbraw/zinc/11/08/50/532110850.db2.gz KFUVMVUZFIBIPE-VIFPVBQESA-N -2 3 380.260 2.237 20 0 GEADHL C[C@@H](NC(=O)c1c[n-]nn1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000125696615 532140373 /nfs/dbraw/zinc/14/03/73/532140373.db2.gz RXHRKDSBXJOFRA-SNVBAGLBSA-N -2 3 377.451 2.158 20 0 GEADHL C[C@@H](NC(=O)c1cnn[n-]1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000125696615 532140375 /nfs/dbraw/zinc/14/03/75/532140375.db2.gz RXHRKDSBXJOFRA-SNVBAGLBSA-N -2 3 377.451 2.158 20 0 GEADHL C[C@@H](NC(=O)c1cn[n-]n1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000125696615 532140377 /nfs/dbraw/zinc/14/03/77/532140377.db2.gz RXHRKDSBXJOFRA-SNVBAGLBSA-N -2 3 377.451 2.158 20 0 GEADHL Cc1cc(=O)n2nc([N-]S(=O)(=O)c3cc4cc(Cl)ccc4s3)[n-]c2n1 ZINC000177925776 532187163 /nfs/dbraw/zinc/18/71/63/532187163.db2.gz CQYPJMGTIPXJRW-UHFFFAOYSA-N -2 3 395.853 2.395 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)[C@@H]1CCOC2(CCC2)C1 ZINC000372262723 532380018 /nfs/dbraw/zinc/38/00/18/532380018.db2.gz SEPCDRDTGUNNRJ-YGRLFVJLSA-N -2 3 375.393 2.046 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2c(O)cccc2Cl)cc2c1OCCO2 ZINC000647919228 532384073 /nfs/dbraw/zinc/38/40/73/532384073.db2.gz RYHJYVNWDWFDJE-UHFFFAOYSA-N -2 3 385.781 2.316 20 0 GEADHL COCCC1(C[N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)CCCC1 ZINC000517027767 532403711 /nfs/dbraw/zinc/40/37/11/532403711.db2.gz SHMPHHIERVMSEH-UHFFFAOYSA-N -2 3 377.484 2.330 20 0 GEADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]CCN2CC=CCC2)c1 ZINC000280055610 532406460 /nfs/dbraw/zinc/40/64/60/532406460.db2.gz SHWJVFCLVQHDLX-UHFFFAOYSA-N -2 3 379.265 2.232 20 0 GEADHL Cc1cnc([C@H](C)[N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)s1 ZINC000427275212 532418716 /nfs/dbraw/zinc/41/87/16/532418716.db2.gz RUBPKUMGTFWADS-VIFPVBQESA-N -2 3 393.487 2.002 20 0 GEADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(=O)[O-])c1Cl ZINC000681577600 532431675 /nfs/dbraw/zinc/43/16/75/532431675.db2.gz DFFHMZZOJZRNND-QMMMGPOBSA-N -3 3 384.237 2.064 20 0 GEADHL CO[C@H](CS(=O)(=O)[N-]c1ccccc1[N-]S(C)(=O)=O)c1ccccc1 ZINC000295322316 532433493 /nfs/dbraw/zinc/43/34/93/532433493.db2.gz OHJRREDIKWSWGV-MRXNPFEDSA-N -2 3 384.479 2.188 20 0 GEADHL O=c1[n-]c(CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)n[nH]1 ZINC000681646423 532433843 /nfs/dbraw/zinc/43/38/43/532433843.db2.gz KMAFDAJODMBUND-UHFFFAOYSA-N -2 3 375.801 2.291 20 0 GEADHL CO[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F)CC(=O)[O-] ZINC000650418401 532444426 /nfs/dbraw/zinc/44/44/26/532444426.db2.gz GPLREHCOCQJNTI-QMMMGPOBSA-N -2 3 391.751 2.007 20 0 GEADHL O=C([O-])[C@H]1CC(=O)N(C2CCN(Cc3cc([O-])ccc3Br)CC2)C1 ZINC000650792140 532454514 /nfs/dbraw/zinc/45/45/14/532454514.db2.gz YPWJBCJLWOSVPN-LBPRGKRZSA-N -2 3 397.269 2.052 20 0 GEADHL CCc1ncc(S(=O)(=O)[N-][C@H](CCC(=O)c2ccccc2)C(=O)[O-])s1 ZINC000562489108 532468568 /nfs/dbraw/zinc/46/85/68/532468568.db2.gz CVPWUMMDIDUWGF-GFCCVEGCSA-N -2 3 382.463 2.100 20 0 GEADHL O=C([O-])[C@H](C[N-]S(=O)(=O)C[C@@H]1CCCC1(F)F)Oc1ccc(F)cc1 ZINC000562644845 532476527 /nfs/dbraw/zinc/47/65/27/532476527.db2.gz LGWSLCKNZBIVFV-GWCFXTLKSA-N -2 3 381.372 2.013 20 0 GEADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H](C)[C@H]1COc2ccccc21 ZINC000519769180 532478796 /nfs/dbraw/zinc/47/87/96/532478796.db2.gz NNZVOTVMTKVRCQ-GXSJLCMTSA-N -2 3 383.447 2.298 20 0 GEADHL O=C([O-])CSCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000593262133 532479394 /nfs/dbraw/zinc/47/93/94/532479394.db2.gz JQWZXZBYKAJWIP-UHFFFAOYSA-N -2 3 393.792 2.335 20 0 GEADHL CCOC1(CS(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])CCOCC1 ZINC000629288380 532484268 /nfs/dbraw/zinc/48/42/68/532484268.db2.gz HQSROLLHMNBVOU-UHFFFAOYSA-N -2 3 377.846 2.366 20 0 GEADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2ccc(Cn3ccnc3)cc2)c1 ZINC000237964228 532513884 /nfs/dbraw/zinc/51/38/84/532513884.db2.gz KNQHXWLFGNFZHH-UHFFFAOYSA-N -2 3 377.447 2.170 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Br)c(Cl)c1)[C@@H]1CCCO1 ZINC000630422187 532518124 /nfs/dbraw/zinc/51/81/24/532518124.db2.gz KSJJQQIOLHNTTO-WDEREUQCSA-N -2 3 398.662 2.013 20 0 GEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)[C@@H]1CCCO1 ZINC000630423189 532518147 /nfs/dbraw/zinc/51/81/47/532518147.db2.gz PUWKDNMXBPWZRZ-ONGXEEELSA-N -2 3 398.662 2.013 20 0 GEADHL COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](C)CC(=O)[O-] ZINC000526060755 532539465 /nfs/dbraw/zinc/53/94/65/532539465.db2.gz YDRUOEOCYMAOMA-QWRGUYRKSA-N -2 3 379.862 2.143 20 0 GEADHL CN(C)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2[N-]S(C)(=O)=O)cc1 ZINC000432775971 532544878 /nfs/dbraw/zinc/54/48/78/532544878.db2.gz YAKONIAXDSEZPF-UHFFFAOYSA-N -2 3 387.458 2.064 20 0 GEADHL O=C([O-])[C@@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000564809154 532532688 /nfs/dbraw/zinc/53/26/88/532532688.db2.gz ZMVNPYKTNNSEBK-WCBMZHEXSA-N -2 3 399.799 2.100 20 0 GEADHL COc1cc(C[C@H]([N-]S(=O)(=O)c2cc(C)cs2)C(=O)[O-])cc(OC)c1 ZINC000654769830 532567695 /nfs/dbraw/zinc/56/76/95/532567695.db2.gz GALULNJKFRVCMU-AWEZNQCLSA-N -2 3 385.463 2.048 20 0 GEADHL CCc1csc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)n1 ZINC000433396318 532567984 /nfs/dbraw/zinc/56/79/84/532567984.db2.gz VZGOIXYUPNOUOW-UHFFFAOYSA-N -2 3 379.460 2.017 20 0 GEADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CCOCC1 ZINC000566077291 532591313 /nfs/dbraw/zinc/59/13/13/532591313.db2.gz QIRAZTZBTWRFEO-UHFFFAOYSA-N -2 3 399.799 2.101 20 0 GEADHL COC(=O)c1sccc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1CCC(=O)[O-] ZINC000297312314 532580286 /nfs/dbraw/zinc/58/02/86/532580286.db2.gz WHKCCXDCGYMECZ-GHMZBOCLSA-N -2 3 375.468 2.237 20 0 GEADHL CC[C@H](CC[N-]S(=O)(=O)c1cc(OC)ccc1Br)C(=O)[O-] ZINC000297326413 532580800 /nfs/dbraw/zinc/58/08/00/532580800.db2.gz XGRMJTSROUXKTP-SECBINFHSA-N -2 3 380.260 2.237 20 0 GEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000297331239 532580893 /nfs/dbraw/zinc/58/08/93/532580893.db2.gz XUOMICSJULUHDF-CMPLNLGQSA-N -2 3 375.468 2.237 20 0 GEADHL CC1(C)C[C@@H](S(=O)(=O)[N-]c2cccc(Br)c2C(=O)[O-])CO1 ZINC000530143370 532616898 /nfs/dbraw/zinc/61/68/98/532616898.db2.gz MAQCRVIFLNPUND-MRVPVSSYSA-N -2 3 378.244 2.457 20 0 GEADHL COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CC1CCC1)C(=O)[O-] ZINC000530420539 532619852 /nfs/dbraw/zinc/61/98/52/532619852.db2.gz QPNQSBVLOBYVIZ-LBPRGKRZSA-N -2 3 375.830 2.048 20 0 GEADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000566179892 532599297 /nfs/dbraw/zinc/59/92/97/532599297.db2.gz QKAGBNOLDQYWAR-SWLSCSKDSA-N -2 3 382.463 2.288 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000376195503 532601113 /nfs/dbraw/zinc/60/11/13/532601113.db2.gz MKDZALMWINMFAW-UHFFFAOYSA-N -3 3 379.785 2.019 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000376195503 532601117 /nfs/dbraw/zinc/60/11/17/532601117.db2.gz MKDZALMWINMFAW-UHFFFAOYSA-N -3 3 379.785 2.019 20 0 GEADHL CO[C@@H](C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-])C1CC1 ZINC000656168322 532606871 /nfs/dbraw/zinc/60/68/71/532606871.db2.gz QCQFVKOZOVZMCH-IUCAKERBSA-N -2 3 387.401 2.314 20 0 GEADHL CO[C@@H](CS(=O)(=O)[N-]c1c(C)ccc(Cl)c1C(=O)[O-])[C@H]1CCOC1 ZINC000656623617 532625359 /nfs/dbraw/zinc/62/53/59/532625359.db2.gz HZKRJVSHGNXLFP-JQWIXIFHSA-N -2 3 377.846 2.140 20 0 GEADHL CCc1ccc(C)nc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000656737351 532629651 /nfs/dbraw/zinc/62/96/51/532629651.db2.gz BROJHIJQONFEOL-UHFFFAOYSA-N -2 3 387.458 2.264 20 0 GEADHL O=C(c1cc(F)cc(Br)c1[O-])N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000436694853 532641473 /nfs/dbraw/zinc/64/14/73/532641473.db2.gz DANQHOYBISLUOD-UHFFFAOYSA-N -2 3 386.177 2.402 20 0 GEADHL COCC[C@@H]([N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC)c1ccc(C)o1 ZINC000567792828 532664385 /nfs/dbraw/zinc/66/43/85/532664385.db2.gz QZLVNKDUYQTOSX-SNVBAGLBSA-N -2 3 389.451 2.412 20 0 GEADHL Cc1nc([C@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Cl)c2Cl)n[nH]1 ZINC000285343941 532673108 /nfs/dbraw/zinc/67/31/08/532673108.db2.gz GXSBNBAXJRXCRV-YFKPBYRVSA-N -2 3 379.225 2.158 20 0 GEADHL C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1 ZINC000442779768 532734574 /nfs/dbraw/zinc/73/45/74/532734574.db2.gz DYIGBKKIGPDQJE-NWDGAFQWSA-N -2 3 378.491 2.444 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2F)c(F)c1 ZINC000451593442 532765864 /nfs/dbraw/zinc/76/58/64/532765864.db2.gz PXSBLPWFVGKZOU-WCQYABFASA-N -2 3 382.454 2.146 20 0 GEADHL COCCCOc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000583750879 532766610 /nfs/dbraw/zinc/76/66/10/532766610.db2.gz REIFLVLYXJMEHL-QWHCGFSZSA-N -2 3 391.873 2.287 20 0 GEADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000316353391 532783026 /nfs/dbraw/zinc/78/30/26/532783026.db2.gz OZIAIKZMSXSPDQ-KOLCDFICSA-N -2 3 392.271 2.379 20 0 GEADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C(C)C ZINC000316085112 532783229 /nfs/dbraw/zinc/78/32/29/532783229.db2.gz PUKMFZUSCDXVAQ-LLVKDONJSA-N -2 3 394.287 2.483 20 0 GEADHL CCOc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1C=C[C@@H](C(=O)[O-])C1 ZINC000316910502 532784082 /nfs/dbraw/zinc/78/40/82/532784082.db2.gz YPIIYCDCJMSVFH-MWLCHTKSSA-N -2 3 390.255 2.155 20 0 GEADHL COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H]1CCC[C@]1(C)C(=O)[O-] ZINC000317138256 532784127 /nfs/dbraw/zinc/78/41/27/532784127.db2.gz VBZDFNWICAGHSQ-OCCSQVGLSA-N -2 3 392.271 2.379 20 0 GEADHL CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000547612594 532787478 /nfs/dbraw/zinc/78/74/78/532787478.db2.gz MFPOKLOPAKHMPL-KOLCDFICSA-N -2 3 379.276 2.402 20 0 GEADHL Cc1ccc(C(=O)N2CCc3nc([N-]S(C)(=O)=O)sc3C2)c([O-])c1C ZINC000412295444 532787753 /nfs/dbraw/zinc/78/77/53/532787753.db2.gz BUDAZXTVNXSWHS-UHFFFAOYSA-N -2 3 381.479 2.036 20 0 GEADHL Cc1nc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2c(Cl)cccc2Cl)cn1C ZINC000547910652 532788005 /nfs/dbraw/zinc/78/80/05/532788005.db2.gz BGJNLLGTUGUSGC-LBPRGKRZSA-N -2 3 378.237 2.140 20 0 GEADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cnn(C)c2)c1Cl ZINC000325450681 532789200 /nfs/dbraw/zinc/78/92/00/532789200.db2.gz XKXRNFBWLPNTPD-GFCCVEGCSA-N -2 3 392.264 2.448 20 0 GEADHL Cc1nc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)sc1C(=O)[O-] ZINC000548209015 532789278 /nfs/dbraw/zinc/78/92/78/532789278.db2.gz GJECSYSUOCBWHC-UHFFFAOYSA-N -2 3 381.357 2.042 20 0 GEADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]CCCOCC1CC1 ZINC000326000134 532789898 /nfs/dbraw/zinc/78/98/98/532789898.db2.gz MONLYZVHNYAOHM-UHFFFAOYSA-N -2 3 377.846 2.142 20 0 GEADHL CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])cc1 ZINC000327083490 532791565 /nfs/dbraw/zinc/79/15/65/532791565.db2.gz HJJPWCOITJDPEB-UHFFFAOYSA-N -2 3 389.838 2.243 20 0 GEADHL O=C([O-])c1cccc(Cl)c1[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000327686235 532792010 /nfs/dbraw/zinc/79/20/10/532792010.db2.gz PULLZZJMEQDRLL-UHFFFAOYSA-N -2 3 382.781 2.170 20 0 GEADHL COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]C1(C(=O)[O-])CCC1 ZINC000554539248 532805060 /nfs/dbraw/zinc/80/50/60/532805060.db2.gz FYYCDWSAJBBDOT-SNVBAGLBSA-N -2 3 377.846 2.039 20 0 GEADHL CCc1onc(C)c1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)CC)c(F)c1 ZINC000270830766 532802254 /nfs/dbraw/zinc/80/22/54/532802254.db2.gz UFUWONHBMJFRIX-UHFFFAOYSA-N -2 3 391.446 2.247 20 0 GEADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1ccccc1-c1ccno1)C(F)(F)F ZINC000551914924 532802516 /nfs/dbraw/zinc/80/25/16/532802516.db2.gz AFIJAGJCWLVELO-VIFPVBQESA-N -2 3 378.328 2.273 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1OCCN(C)C ZINC000414387905 532823890 /nfs/dbraw/zinc/82/38/90/532823890.db2.gz KDWDFHLRTWPLCX-UHFFFAOYSA-N -2 3 384.479 2.496 20 0 GEADHL C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)CCO1 ZINC000273735363 532832840 /nfs/dbraw/zinc/83/28/40/532832840.db2.gz SILBEROXIPEMTK-RQJHMYQMSA-N -2 3 384.273 2.055 20 0 GEADHL C[C@H]1C[C@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)CCO1 ZINC000273735357 532832811 /nfs/dbraw/zinc/83/28/11/532832811.db2.gz SILBEROXIPEMTK-NKWVEPMBSA-N -2 3 384.273 2.055 20 0 GEADHL Cc1nc(C)c(S(=O)(=O)[N-][C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])s1 ZINC000274884412 532858971 /nfs/dbraw/zinc/85/89/71/532858971.db2.gz DNJGADMTMCPANS-AWEZNQCLSA-N -2 3 379.463 2.215 20 0 GEADHL Cc1ncc(S(=O)(=O)[N-]C2CCN(c3ccc(C(=O)[O-])cc3)CC2)s1 ZINC000274923002 532859627 /nfs/dbraw/zinc/85/96/27/532859627.db2.gz BECIUOQZHGNJRC-UHFFFAOYSA-N -2 3 381.479 2.097 20 0 GEADHL C[C@@H](CCC[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2)C(=O)[O-] ZINC000274971625 532860531 /nfs/dbraw/zinc/86/05/31/532860531.db2.gz KLWIJQXLGHLTLL-VIFPVBQESA-N -2 3 392.271 2.163 20 0 GEADHL CC(C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1)C(=O)[O-] ZINC000275034459 532861721 /nfs/dbraw/zinc/86/17/21/532861721.db2.gz CXBAJBHYXHCBQT-LLVKDONJSA-N -2 3 391.873 2.144 20 0 GEADHL COC(=O)Cc1ccc(S(=O)(=O)[N-][C@@H](CCC(C)(C)C)C(=O)[O-])s1 ZINC000275004477 532861397 /nfs/dbraw/zinc/86/13/97/532861397.db2.gz MGWCIRVWJBPUOA-NSHDSACASA-N -2 3 377.484 2.021 20 0 GEADHL COC(=O)Cc1ccc(S(=O)(=O)[N-][C@H]2CCCCCC[C@@H]2C(=O)[O-])s1 ZINC000275055430 532862758 /nfs/dbraw/zinc/86/27/58/532862758.db2.gz TUEAUKPUNNBJOY-STQMWFEESA-N -2 3 389.495 2.166 20 0 GEADHL O=C([O-])[C@@H](CN1CCCCC1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000275058708 532862595 /nfs/dbraw/zinc/86/25/95/532862595.db2.gz YODKFHSKKMZVAG-GFCCVEGCSA-N -2 3 381.281 2.211 20 0 GEADHL C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1)C(=O)[O-] ZINC000275287994 532871316 /nfs/dbraw/zinc/87/13/16/532871316.db2.gz SXIMZAAYEFOZJO-WCQYABFASA-N -2 3 391.873 2.287 20 0 GEADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C ZINC000275326209 532872398 /nfs/dbraw/zinc/87/23/98/532872398.db2.gz SXQKHUMISCVONX-NSHDSACASA-N -2 3 375.418 2.028 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-])c(Br)c1 ZINC000275354665 532873653 /nfs/dbraw/zinc/87/36/53/532873653.db2.gz WQZHPCUZPAOBMG-QMMMGPOBSA-N -2 3 390.177 2.441 20 0 GEADHL CCO[C@H]1C[C@]([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)(C(=O)[O-])C1(C)C ZINC000275409032 532875458 /nfs/dbraw/zinc/87/54/58/532875458.db2.gz AEHGHPBABJHDEE-NHYWBVRUSA-N -2 3 381.372 2.041 20 0 GEADHL CCO[C@H]1C[C@@]([N-]S(=O)(=O)c2cc(C)c(F)cc2F)(C(=O)[O-])C1(C)C ZINC000275588357 532879333 /nfs/dbraw/zinc/87/93/33/532879333.db2.gz IAQGTXJKBBZCJN-XJKSGUPXSA-N -2 3 377.409 2.210 20 0 GEADHL CSc1nnc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)s1 ZINC000275733278 532882815 /nfs/dbraw/zinc/88/28/15/532882815.db2.gz USSBCVINMMVZPE-UHFFFAOYSA-N -2 3 399.519 2.316 20 0 GEADHL CCC(=O)C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC000276915964 532903427 /nfs/dbraw/zinc/90/34/27/532903427.db2.gz ODJPFOJDZRKWIU-SECBINFHSA-N -2 3 398.662 2.203 20 0 GEADHL COCC(C)(C)C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000291929035 532910830 /nfs/dbraw/zinc/91/08/30/532910830.db2.gz ODMBEAPOBZCVAD-UHFFFAOYSA-N -2 3 386.289 2.160 20 0 GEADHL CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1[O-])C(F)(F)F ZINC000594699988 450595834 /nfs/dbraw/zinc/59/58/34/450595834.db2.gz OKBSNJDNGCWSHL-SECBINFHSA-N -2 3 375.752 2.208 20 0 GEADHL O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])cc2c1OCCO2 ZINC000436477049 450596483 /nfs/dbraw/zinc/59/64/83/450596483.db2.gz LEIWYSPVHHSBFQ-UHFFFAOYSA-N -3 3 385.781 2.316 20 0 GEADHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1Cl ZINC000738215537 598844124 /nfs/dbraw/zinc/84/41/24/598844124.db2.gz RRRVSPMFJDWWDX-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1Cl ZINC000738215537 598844125 /nfs/dbraw/zinc/84/41/25/598844125.db2.gz RRRVSPMFJDWWDX-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000736646049 598844347 /nfs/dbraw/zinc/84/43/47/598844347.db2.gz CVQHZWAQWBUATO-UHFFFAOYSA-N -2 3 393.400 2.214 20 0 GEADHL CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000736646049 598844348 /nfs/dbraw/zinc/84/43/48/598844348.db2.gz CVQHZWAQWBUATO-UHFFFAOYSA-N -2 3 393.400 2.214 20 0 GEADHL O=S(=O)([N-]c1ccc(-c2cc[nH]n2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738344784 598844445 /nfs/dbraw/zinc/84/44/45/598844445.db2.gz IEEANJYGIDHRFF-UHFFFAOYSA-N -2 3 385.384 2.197 20 0 GEADHL O=S(=O)([N-]c1ccc(-c2cc[nH]n2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738344784 598844447 /nfs/dbraw/zinc/84/44/47/598844447.db2.gz IEEANJYGIDHRFF-UHFFFAOYSA-N -2 3 385.384 2.197 20 0 GEADHL O=S(=O)([N-]c1ccc(N2CCCC2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738341654 598910157 /nfs/dbraw/zinc/91/01/57/598910157.db2.gz IHBARPXZFSYSCW-UHFFFAOYSA-N -2 3 388.428 2.407 20 0 GEADHL O=S(=O)([N-]c1ccc(N2CCCC2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738341654 598910159 /nfs/dbraw/zinc/91/01/59/598910159.db2.gz IHBARPXZFSYSCW-UHFFFAOYSA-N -2 3 388.428 2.407 20 0 GEADHL O=S(=O)([N-]c1cc(-c2cccs2)[nH]n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738344708 598910623 /nfs/dbraw/zinc/91/06/23/598910623.db2.gz GCMPXIPZHMSIBE-UHFFFAOYSA-N -2 3 391.413 2.258 20 0 GEADHL O=S(=O)([N-]c1cc(-c2cccs2)[nH]n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738344708 598910624 /nfs/dbraw/zinc/91/06/24/598910624.db2.gz GCMPXIPZHMSIBE-UHFFFAOYSA-N -2 3 391.413 2.258 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccc(OCC(C)C)nc1 ZINC000737225731 598950416 /nfs/dbraw/zinc/95/04/16/598950416.db2.gz QKCUWRJZBDOQSD-UHFFFAOYSA-N -2 3 388.453 2.406 20 0 GEADHL CC(=CC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C)c1ccccc1 ZINC000735450281 598974255 /nfs/dbraw/zinc/97/42/55/598974255.db2.gz YDTUQGWPCZLDOT-RAXLEYEMSA-N -2 3 383.433 2.084 20 0 GEADHL CC(=CC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C)c1ccccc1 ZINC000735450281 598974256 /nfs/dbraw/zinc/97/42/56/598974256.db2.gz YDTUQGWPCZLDOT-RAXLEYEMSA-N -2 3 383.433 2.084 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)CCCc1ccccc1 ZINC000737297983 598975136 /nfs/dbraw/zinc/97/51/36/598975136.db2.gz HTDXNPJSJDCHRJ-UHFFFAOYSA-N -2 3 385.449 2.003 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)CCCc1ccccc1 ZINC000737297983 598975138 /nfs/dbraw/zinc/97/51/38/598975138.db2.gz HTDXNPJSJDCHRJ-UHFFFAOYSA-N -2 3 385.449 2.003 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1ccc(Cl)cc1F ZINC000737297593 598978390 /nfs/dbraw/zinc/97/83/90/598978390.db2.gz CZPLNLNCVGKHMN-UHFFFAOYSA-N -2 3 395.803 2.086 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1ccc(Cl)cc1F ZINC000737297593 598978391 /nfs/dbraw/zinc/97/83/91/598978391.db2.gz CZPLNLNCVGKHMN-UHFFFAOYSA-N -2 3 395.803 2.086 20 0 GEADHL Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)[N-]c1ccnn1Cc1ccccc1 ZINC000737226148 599030462 /nfs/dbraw/zinc/03/04/62/599030462.db2.gz RHLOITVYNNHYNZ-UHFFFAOYSA-N -2 3 395.448 2.221 20 0 GEADHL Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)[N-]c1ccnn1Cc1ccccc1 ZINC000737226148 599030463 /nfs/dbraw/zinc/03/04/63/599030463.db2.gz RHLOITVYNNHYNZ-UHFFFAOYSA-N -2 3 395.448 2.221 20 0 GEADHL Cc1ccccc1[C@H](C)CC(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000737422979 599191222 /nfs/dbraw/zinc/19/12/22/599191222.db2.gz PXDYFWYUJFABMG-CQSZACIVSA-N -2 3 399.476 2.482 20 0 GEADHL Cc1ccccc1[C@H](C)CC(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000737422979 599191226 /nfs/dbraw/zinc/19/12/26/599191226.db2.gz PXDYFWYUJFABMG-CQSZACIVSA-N -2 3 399.476 2.482 20 0 GEADHL C[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000735977908 599190098 /nfs/dbraw/zinc/19/00/98/599190098.db2.gz WWAGIBAQXXZWBG-NSHDSACASA-N -2 3 389.412 2.005 20 0 GEADHL C[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000735977908 599190100 /nfs/dbraw/zinc/19/01/00/599190100.db2.gz WWAGIBAQXXZWBG-NSHDSACASA-N -2 3 389.412 2.005 20 0 GEADHL C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000736184962 599220019 /nfs/dbraw/zinc/22/00/19/599220019.db2.gz QIFOQASTDWLPJA-ABAIWWIYSA-N -2 3 399.382 2.105 20 0 GEADHL C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000736184962 599220021 /nfs/dbraw/zinc/22/00/21/599220021.db2.gz QIFOQASTDWLPJA-ABAIWWIYSA-N -2 3 399.382 2.105 20 0 GEADHL COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCCC(=O)[O-])c2)cc1 ZINC000509205298 597113023 /nfs/dbraw/zinc/11/30/23/597113023.db2.gz YVMFSZREOIFQHF-UHFFFAOYSA-N -2 3 392.433 2.009 20 0 GEADHL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCC(=O)[O-])ccc2C)cc1 ZINC000509200727 597114024 /nfs/dbraw/zinc/11/40/24/597114024.db2.gz RKCYCNIRHWCQHK-UHFFFAOYSA-N -2 3 392.433 2.009 20 0 GEADHL O=C([O-])[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000537473494 597500276 /nfs/dbraw/zinc/50/02/76/597500276.db2.gz WGFIRHUCJWNAHA-ZDUSSCGKSA-N -2 3 392.408 2.173 20 0 GEADHL O=C([O-])[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)C1 ZINC000537473493 597500325 /nfs/dbraw/zinc/50/03/25/597500325.db2.gz WGFIRHUCJWNAHA-CYBMUJFWSA-N -2 3 392.408 2.173 20 0 GEADHL CC(=O)NCCN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])[C@H](C)C(=O)[O-] ZINC000263455789 597691976 /nfs/dbraw/zinc/69/19/76/597691976.db2.gz UMRJFRKVJMXEQM-CQSZACIVSA-N -2 3 384.432 2.034 20 0 GEADHL C[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)OCCCCC(=O)[O-])c1Cl ZINC000820645880 597847738 /nfs/dbraw/zinc/84/77/38/597847738.db2.gz RATJACRBZIJANX-UHFFFAOYSA-N -2 3 384.237 2.313 20 0 GEADHL O=S(=O)([N-]c1ccc(SC(F)F)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000823589058 607326782 /nfs/dbraw/zinc/32/67/82/607326782.db2.gz KJMPEWGZSXIAAY-UHFFFAOYSA-N -2 3 384.393 2.377 20 0 GEADHL COc1cc(F)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2F)c(F)c1 ZINC000821720767 607327987 /nfs/dbraw/zinc/32/79/87/607327987.db2.gz XIWXAWFPUJFGDJ-UHFFFAOYSA-N -2 3 385.327 2.093 20 0 GEADHL Cc1ccc(-c2nc(NC(=O)C3=NN(c4ccccc4)[C@H](C(=O)[O-])C3)n[n-]2)o1 ZINC000821058625 598213148 /nfs/dbraw/zinc/21/31/48/598213148.db2.gz YYWKEVWNYITXJX-ZDUSSCGKSA-N -2 3 380.364 2.031 20 0 GEADHL Cc1nc(S(=O)(=O)[N-]c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)c[nH]1 ZINC000737502582 598283853 /nfs/dbraw/zinc/28/38/53/598283853.db2.gz XSLZHTIEXDWYGN-UHFFFAOYSA-N -2 3 397.420 2.491 20 0 GEADHL O=S(=O)([N-]c1ccnn1Cc1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000738338652 598374576 /nfs/dbraw/zinc/37/45/76/598374576.db2.gz HLEFFTYYRHPSKP-UHFFFAOYSA-N -2 3 399.411 2.051 20 0 GEADHL O=S(=O)([N-]c1ccnn1Cc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000738338652 598374578 /nfs/dbraw/zinc/37/45/78/598374578.db2.gz HLEFFTYYRHPSKP-UHFFFAOYSA-N -2 3 399.411 2.051 20 0 GEADHL CCc1ccsc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736701361 598414657 /nfs/dbraw/zinc/41/46/57/598414657.db2.gz AJTATWDJYJJNJA-UHFFFAOYSA-N -2 3 397.869 2.263 20 0 GEADHL CCc1ccsc1C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736701361 598414658 /nfs/dbraw/zinc/41/46/58/598414658.db2.gz AJTATWDJYJJNJA-UHFFFAOYSA-N -2 3 397.869 2.263 20 0 GEADHL O=C(C=C(C1CC1)C1CC1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737791318 598415143 /nfs/dbraw/zinc/41/51/43/598415143.db2.gz IHPPUCWGBRJDBC-UHFFFAOYSA-N -2 3 393.856 2.071 20 0 GEADHL O=C(C=C(C1CC1)C1CC1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737791318 598415144 /nfs/dbraw/zinc/41/51/44/598415144.db2.gz IHPPUCWGBRJDBC-UHFFFAOYSA-N -2 3 393.856 2.071 20 0 GEADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1Cl ZINC000738138060 598415320 /nfs/dbraw/zinc/41/53/20/598415320.db2.gz CXVOIDAUVBSXTG-UHFFFAOYSA-N -2 3 398.231 2.292 20 0 GEADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1Cl ZINC000738138060 598415321 /nfs/dbraw/zinc/41/53/21/598415321.db2.gz CXVOIDAUVBSXTG-UHFFFAOYSA-N -2 3 398.231 2.292 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)n(-c2ccc(F)cc2)n1 ZINC000737281588 598438112 /nfs/dbraw/zinc/43/81/12/598438112.db2.gz UPPGSAKVCSMIHJ-UHFFFAOYSA-N -2 3 399.411 2.301 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)n(-c2ccc(F)cc2)n1 ZINC000737281588 598438114 /nfs/dbraw/zinc/43/81/14/598438114.db2.gz UPPGSAKVCSMIHJ-UHFFFAOYSA-N -2 3 399.411 2.301 20 0 GEADHL O=S(=O)([N-]c1ccnn1CCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738338290 598438861 /nfs/dbraw/zinc/43/88/61/598438861.db2.gz GBBFQSIHKQSXNK-UHFFFAOYSA-N -2 3 395.448 2.107 20 0 GEADHL O=S(=O)([N-]c1ccnn1CCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738338290 598438863 /nfs/dbraw/zinc/43/88/63/598438863.db2.gz GBBFQSIHKQSXNK-UHFFFAOYSA-N -2 3 395.448 2.107 20 0 GEADHL Cn1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)n1 ZINC000737613851 598452397 /nfs/dbraw/zinc/45/23/97/598452397.db2.gz RUGKLYJWQNDEBL-UHFFFAOYSA-N -2 3 397.420 2.193 20 0 GEADHL COc1cccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2OC(F)F)c1 ZINC000737141608 598548486 /nfs/dbraw/zinc/54/84/86/598548486.db2.gz ONZOFEHNKQFNPG-UHFFFAOYSA-N -2 3 397.363 2.278 20 0 GEADHL Cn1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000737611792 598557364 /nfs/dbraw/zinc/55/73/64/598557364.db2.gz HRLBHIJJRHBWFI-UHFFFAOYSA-N -2 3 397.420 2.193 20 0 GEADHL Cn1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000737611792 598557365 /nfs/dbraw/zinc/55/73/65/598557365.db2.gz HRLBHIJJRHBWFI-UHFFFAOYSA-N -2 3 397.420 2.193 20 0 GEADHL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822414321 599306707 /nfs/dbraw/zinc/30/67/07/599306707.db2.gz BRELDQJKIGTGEH-UHFFFAOYSA-N -2 3 387.347 2.026 20 0 GEADHL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822414321 599306710 /nfs/dbraw/zinc/30/67/10/599306710.db2.gz BRELDQJKIGTGEH-UHFFFAOYSA-N -2 3 387.347 2.026 20 0 GEADHL O=S(=O)([N-]c1cccc(CC(F)(F)F)c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823588824 599308479 /nfs/dbraw/zinc/30/84/79/599308479.db2.gz CBOIAAXARNWOHZ-UHFFFAOYSA-N -2 3 384.343 2.167 20 0 GEADHL O=S(=O)([N-]c1cccc(CC(F)(F)F)c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823588824 599308481 /nfs/dbraw/zinc/30/84/81/599308481.db2.gz CBOIAAXARNWOHZ-UHFFFAOYSA-N -2 3 384.343 2.167 20 0 GEADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2c[nH]c(C(C)C)n2)cc1-c1nnn[n-]1 ZINC000820178178 607375014 /nfs/dbraw/zinc/37/50/14/607375014.db2.gz JPOFTSDMGKKYFH-UHFFFAOYSA-N -2 3 391.457 2.301 20 0 GEADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2c[nH]c(C(C)C)n2)cc1-c1nn[n-]n1 ZINC000820178178 607375015 /nfs/dbraw/zinc/37/50/15/607375015.db2.gz JPOFTSDMGKKYFH-UHFFFAOYSA-N -2 3 391.457 2.301 20 0 GEADHL C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736200167 599515535 /nfs/dbraw/zinc/51/55/35/599515535.db2.gz CIDMCVMXZPACCA-YLGBQOPLSA-N -2 3 383.433 2.087 20 0 GEADHL C[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736200167 599515537 /nfs/dbraw/zinc/51/55/37/599515537.db2.gz CIDMCVMXZPACCA-YLGBQOPLSA-N -2 3 383.433 2.087 20 0 GEADHL O=C(CC/C=C\c1ccccc1)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737827154 599618407 /nfs/dbraw/zinc/61/84/07/599618407.db2.gz XCLDKWGDCIQPHM-YWEYNIOJSA-N -2 3 383.433 2.165 20 0 GEADHL O=C(CC/C=C\c1ccccc1)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737827154 599618409 /nfs/dbraw/zinc/61/84/09/599618409.db2.gz XCLDKWGDCIQPHM-YWEYNIOJSA-N -2 3 383.433 2.165 20 0 GEADHL CCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000821051137 599619887 /nfs/dbraw/zinc/61/98/87/599619887.db2.gz YORKPVVIQHSHAT-ZDUSSCGKSA-N -2 3 379.486 2.419 20 0 GEADHL CCCCC[C@H](C)CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000821051137 599619888 /nfs/dbraw/zinc/61/98/88/599619888.db2.gz YORKPVVIQHSHAT-ZDUSSCGKSA-N -2 3 379.486 2.419 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000823285062 599620088 /nfs/dbraw/zinc/62/00/88/599620088.db2.gz MSFGMMUABDHWDP-JKSUJKDBSA-N -2 3 389.481 2.029 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000823285062 599620089 /nfs/dbraw/zinc/62/00/89/599620089.db2.gz MSFGMMUABDHWDP-JKSUJKDBSA-N -2 3 389.481 2.029 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc(OC(F)(F)F)cc2)o1 ZINC000740176487 599772755 /nfs/dbraw/zinc/77/27/55/599772755.db2.gz HRDSXWGLXAQPFT-UHFFFAOYSA-N -2 3 379.312 2.397 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCN(c3ccc(Cl)cc3)C2)o1 ZINC000740175677 599774823 /nfs/dbraw/zinc/77/48/23/599774823.db2.gz SVVYAMCHQDRCCN-LLVKDONJSA-N -2 3 384.841 2.436 20 0 GEADHL C[C@H](CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C(=O)[O-] ZINC000485928070 599778795 /nfs/dbraw/zinc/77/87/95/599778795.db2.gz CVVTVBYDMWKRJJ-LLVKDONJSA-N -2 3 380.397 2.077 20 0 GEADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(F)c2)c1 ZINC000728015694 599801304 /nfs/dbraw/zinc/80/13/04/599801304.db2.gz AMHUWBLSBFWVAY-UHFFFAOYSA-N -2 3 380.397 2.161 20 0 GEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000548202808 599979276 /nfs/dbraw/zinc/97/92/76/599979276.db2.gz NNTCYDWFBARWKF-ZDUSSCGKSA-N -2 3 383.447 2.419 20 0 GEADHL COc1ccc([C@H](CC(=O)[O-])NC(=O)c2nnc3ccccc3c2[O-])cc1OC ZINC000737957645 600166337 /nfs/dbraw/zinc/16/63/37/600166337.db2.gz RFGWZQFFRDVLFJ-AWEZNQCLSA-N -2 3 397.387 2.298 20 0 GEADHL Cc1c(C[S@@](C)=O)cccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000523901676 600254535 /nfs/dbraw/zinc/25/45/35/600254535.db2.gz XMXUGYRWRKUQQY-RUZDIDTESA-N -2 3 397.474 2.138 20 0 GEADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000737209899 600301816 /nfs/dbraw/zinc/30/18/16/600301816.db2.gz BUWRPPRKRBFKSK-UHFFFAOYSA-N -3 3 394.405 2.352 20 0 GEADHL C[C@@H]1COCCN1c1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1 ZINC000736820938 600396010 /nfs/dbraw/zinc/39/60/10/600396010.db2.gz IKPGRNFTCQUVFN-CYBMUJFWSA-N -2 3 376.434 2.411 20 0 GEADHL C[C@H]1COCCN1c1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1 ZINC000736820940 600396131 /nfs/dbraw/zinc/39/61/31/600396131.db2.gz IKPGRNFTCQUVFN-ZDUSSCGKSA-N -2 3 376.434 2.411 20 0 GEADHL Cc1ccc(CN2CCOCC2)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000738281498 600513253 /nfs/dbraw/zinc/51/32/53/600513253.db2.gz BUXHFWZEFNAKQS-UHFFFAOYSA-N -2 3 390.461 2.326 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NC(C)=O)c2)cc1C(=O)[O-] ZINC000042796503 600542782 /nfs/dbraw/zinc/54/27/82/600542782.db2.gz QLLAQJDBSXWNCZ-UHFFFAOYSA-N -2 3 378.406 2.461 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cn2)c1Br ZINC000822332340 607462244 /nfs/dbraw/zinc/46/22/44/607462244.db2.gz OPJFKYKMQXXFOS-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cn2)c1Br ZINC000822332340 607462246 /nfs/dbraw/zinc/46/22/46/607462246.db2.gz OPJFKYKMQXXFOS-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000327402884 600775351 /nfs/dbraw/zinc/77/53/51/600775351.db2.gz CHTMGKCKCMUZCM-GFCCVEGCSA-N -2 3 384.797 2.395 20 0 GEADHL CCc1cc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)on1 ZINC000737253932 600797176 /nfs/dbraw/zinc/79/71/76/600797176.db2.gz LGIIOILADIUKRL-UHFFFAOYSA-N -2 3 389.227 2.176 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCCn2cnc3ccccc32)c1F ZINC000833294019 600991723 /nfs/dbraw/zinc/99/17/23/600991723.db2.gz LMRIJPSONOTSGR-UHFFFAOYSA-N -2 3 395.387 2.381 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2ccc(-n3cccn3)cc2)c1F ZINC000833294699 600993885 /nfs/dbraw/zinc/99/38/85/600993885.db2.gz VKMQDIFDBHPGIC-UHFFFAOYSA-N -2 3 393.371 2.327 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@@H]2CCN(c3ccccc3)C2)c1F ZINC000833294026 600994998 /nfs/dbraw/zinc/99/49/98/600994998.db2.gz LPLKPXNNKIOPFP-LBPRGKRZSA-N -2 3 396.415 2.468 20 0 GEADHL CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)cc1 ZINC000504686290 601046686 /nfs/dbraw/zinc/04/66/86/601046686.db2.gz BRWRYTKCQNREHQ-UHFFFAOYSA-N -2 3 392.433 2.324 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2ccc3c(c2)CCC(=O)N3)cc1C(=O)[O-] ZINC000833028909 601217273 /nfs/dbraw/zinc/21/72/73/601217273.db2.gz SXSXEFIBIBVCPD-SECBINFHSA-N -2 3 378.406 2.210 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(OCC(C)(C)O)cc2)cc1C(=O)[O-] ZINC000267240998 601223886 /nfs/dbraw/zinc/22/38/86/601223886.db2.gz MROOKPRMSLLPAR-UHFFFAOYSA-N -2 3 395.433 2.344 20 0 GEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]Cc2ccc(-n3ccnc3)cc2)c1F ZINC000833294766 601233245 /nfs/dbraw/zinc/23/32/45/601233245.db2.gz WLOBUKOJKLRSDR-UHFFFAOYSA-N -2 3 393.371 2.327 20 0 GEADHL CC(C)([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(=O)Nc1ccccc1 ZINC000826630694 601236058 /nfs/dbraw/zinc/23/60/58/601236058.db2.gz NRZHZQUPICCXPH-UHFFFAOYSA-N -2 3 398.387 2.359 20 0 GEADHL COC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1 ZINC000831185578 601323457 /nfs/dbraw/zinc/32/34/57/601323457.db2.gz ZDJYBMGIXIXWOQ-WCIBSUBMSA-N -2 3 391.401 2.137 20 0 GEADHL COC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC000831185577 601323526 /nfs/dbraw/zinc/32/35/26/601323526.db2.gz ZDJYBMGIXIXWOQ-NYYWCZLTSA-N -2 3 391.401 2.137 20 0 GEADHL COC(=O)/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2C(=O)[O-])cc1 ZINC000758164908 601328011 /nfs/dbraw/zinc/32/80/11/601328011.db2.gz UXBMCSJOQPHTJM-BJMVGYQFSA-N -2 3 391.401 2.380 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(F)c2)ccc1F ZINC000728016121 601329977 /nfs/dbraw/zinc/32/99/77/601329977.db2.gz JBXCFAOUUOERLK-UHFFFAOYSA-N -2 3 398.387 2.300 20 0 GEADHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1)c1nc(Cc2ccccc2)no1 ZINC000827756326 601401003 /nfs/dbraw/zinc/40/10/03/601401003.db2.gz ZCCWHDUEARBSJA-GFCCVEGCSA-N -2 3 387.417 2.398 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2noc(Cc3ccccc3)n2)cc1C(=O)[O-] ZINC000833029063 601405909 /nfs/dbraw/zinc/40/59/09/601405909.db2.gz YKAOUDFDKURGOB-JTQLQIEISA-N -2 3 391.405 2.300 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccn(Cc3ccc(F)cc3)c2=O)o1 ZINC000833324032 601492876 /nfs/dbraw/zinc/49/28/76/601492876.db2.gz INITWPTZFCGQRU-UHFFFAOYSA-N -2 3 392.364 2.128 20 0 GEADHL O=C([O-])Cc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000738629695 601613239 /nfs/dbraw/zinc/61/32/39/601613239.db2.gz PVOWRLAAFHDMEQ-UHFFFAOYSA-N -2 3 392.408 2.146 20 0 GEADHL C[C@@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C[C@H]1C(=O)[O-] ZINC000828388404 601758414 /nfs/dbraw/zinc/75/84/14/601758414.db2.gz YFYMCQQYTWEZQK-LDYMZIIASA-N -2 3 379.210 2.083 20 0 GEADHL CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000739238769 602133207 /nfs/dbraw/zinc/13/32/07/602133207.db2.gz QXEJEHPPKDTOIO-IINYFYTJSA-N -2 3 387.458 2.078 20 0 GEADHL C[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000055313755 602143800 /nfs/dbraw/zinc/14/38/00/602143800.db2.gz ACCABQMGOMMCHE-ZETCQYMHSA-N -2 3 378.200 2.243 20 0 GEADHL CC(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000761321414 602161513 /nfs/dbraw/zinc/16/15/13/602161513.db2.gz XVYMOKDCPNZISN-KCJUWKMLSA-N -2 3 396.259 2.080 20 0 GEADHL O=C([O-])NCCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000739977044 602220612 /nfs/dbraw/zinc/22/06/12/602220612.db2.gz HNHLGHKBIUIKTR-UHFFFAOYSA-N -2 3 382.369 2.051 20 0 GEADHL C[C@@H](CCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824402014 607559140 /nfs/dbraw/zinc/55/91/40/607559140.db2.gz SZXXENJOZIDSRW-AWEZNQCLSA-N -2 3 399.476 2.397 20 0 GEADHL C[C@@H](CCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824402014 607559141 /nfs/dbraw/zinc/55/91/41/607559141.db2.gz SZXXENJOZIDSRW-AWEZNQCLSA-N -2 3 399.476 2.397 20 0 GEADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CC[C@@H](C)NC(=O)[O-] ZINC000739791451 602742223 /nfs/dbraw/zinc/74/22/23/602742223.db2.gz IPSAIXXKTPOICN-SECBINFHSA-N -2 3 386.451 2.012 20 0 GEADHL Cc1cc(N2CCC[C@@H](NC(=O)c3ccc(NC(=O)[O-])cc3[O-])C2)nc(C)n1 ZINC000740081283 602863776 /nfs/dbraw/zinc/86/37/76/602863776.db2.gz WBYHNKVGBFLZKR-CQSZACIVSA-N -2 3 385.424 2.288 20 0 GEADHL CC(C)[C@](C)(CNC(=O)[O-])[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000738767890 603084427 /nfs/dbraw/zinc/08/44/27/603084427.db2.gz AEOKEUNTQBFKIK-NSHDSACASA-N -2 3 385.305 2.471 20 0 GEADHL CC(C)(C[N-]S(=O)(=O)c1cc(Br)ccc1Cl)NC(=O)[O-] ZINC000824011048 603471134 /nfs/dbraw/zinc/47/11/34/603471134.db2.gz BFPPWMJTGOONCQ-UHFFFAOYSA-N -2 3 385.667 2.427 20 0 GEADHL CC(C)(CNC(=O)[O-])C(=O)Nc1cc(I)ccc1[O-] ZINC000823965303 603799594 /nfs/dbraw/zinc/79/95/94/603799594.db2.gz VXFUFTTXFIFPKK-UHFFFAOYSA-N -2 3 378.166 2.229 20 0 GEADHL C[C@@H](CC(=O)Nc1ccccc1[N-]S(C)(=O)=O)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824702106 604298569 /nfs/dbraw/zinc/29/85/69/604298569.db2.gz AAMLGRUTUAVYKW-QWHCGFSZSA-N -2 3 383.470 2.413 20 0 GEADHL Cc1oc(S(=O)(=O)[N-]CCc2nc(-c3ccncc3)cs2)cc1C(=O)[O-] ZINC000833026484 604407996 /nfs/dbraw/zinc/40/79/96/604407996.db2.gz FUTVDDFOLCLHQQ-UHFFFAOYSA-N -2 3 393.446 2.326 20 0 GEADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCN(C)CC2)cc1C ZINC000833746275 604500647 /nfs/dbraw/zinc/50/06/47/604500647.db2.gz WSJAQQLADIQRHY-UHFFFAOYSA-N -2 3 393.465 2.147 20 0 GEADHL C[C@H](NC(=O)[O-])[C@@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CCO1 ZINC000825327802 604770608 /nfs/dbraw/zinc/77/06/08/604770608.db2.gz SEIUKULRCNGAMG-LIRRHRJNSA-N -2 3 384.432 2.480 20 0 GEADHL Cc1ccc(CN2CCCC2)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000832932310 604772638 /nfs/dbraw/zinc/77/26/38/604772638.db2.gz GGRKFWIJONEHNU-UHFFFAOYSA-N -2 3 377.466 2.428 20 0 GEADHL Cc1cc(C[C@H](C)[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)n(-c2ccccc2)n1 ZINC000832883993 604812073 /nfs/dbraw/zinc/81/20/73/604812073.db2.gz RYTCHXROPZNBFK-ZDUSSCGKSA-N -2 3 389.433 2.381 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc3nc(C)[nH]c3c2)c(OC)c1C(=O)[O-] ZINC000833734810 604862965 /nfs/dbraw/zinc/86/29/65/604862965.db2.gz YAMNUIVJYGAQIQ-UHFFFAOYSA-N -2 3 391.405 2.388 20 0 GEADHL CN1CC[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)[C@H]1c1ccc(Cl)cc1 ZINC000833697347 604909172 /nfs/dbraw/zinc/90/91/72/604909172.db2.gz FPULLMXSTQWWFS-SWLSCSKDSA-N -2 3 384.841 2.355 20 0 GEADHL Cc1nc(C2([N-]S(=O)(=O)Cc3ccccc3C(=O)[O-])CCCCC2)no1 ZINC000828878154 605015737 /nfs/dbraw/zinc/01/57/37/605015737.db2.gz YDJWLGRSFMZYFX-UHFFFAOYSA-N -2 3 379.438 2.355 20 0 GEADHL Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H](Cc2ccc(O)cc2)C(=O)[O-])cc1F ZINC000833744549 605033978 /nfs/dbraw/zinc/03/39/78/605033978.db2.gz IAFOLMKUGGPBPO-GFCCVEGCSA-N -2 3 385.388 2.201 20 0 GEADHL C[C@H](c1ccccc1)[C@H](CO)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000833549307 605036383 /nfs/dbraw/zinc/03/63/83/605036383.db2.gz PZTRZJXTQZWZRM-MFKMUULPSA-N -2 3 385.388 2.106 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)cc1CC(=O)[O-] ZINC000833734801 605042631 /nfs/dbraw/zinc/04/26/31/605042631.db2.gz XOVXPWVXVFQJGW-UHFFFAOYSA-N -3 3 393.417 2.140 20 0 GEADHL C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)[C@@H](O)c1cccc(F)c1 ZINC000833522506 605043919 /nfs/dbraw/zinc/04/39/19/605043919.db2.gz BIHVKZRDXDWORV-ANRSDYALSA-N -2 3 389.351 2.203 20 0 GEADHL CC(C)c1csc(C[N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])n1 ZINC000833511219 605048479 /nfs/dbraw/zinc/04/84/79/605048479.db2.gz GPQJKFYYTWLZKV-UHFFFAOYSA-N -2 3 375.859 2.492 20 0 GEADHL CC(C)(C)OC(=O)N1CCCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833440003 605197364 /nfs/dbraw/zinc/19/73/64/605197364.db2.gz SLZNVAMKJICELE-LBPRGKRZSA-N -2 3 388.442 2.046 20 0 GEADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(NC(=O)[O-])c(F)c1 ZINC000833746719 605265273 /nfs/dbraw/zinc/26/52/73/605265273.db2.gz GWTCBEMAHCHQTH-UHFFFAOYSA-N -3 3 384.341 2.429 20 0 GEADHL CC1(C)C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)C(C)(C)O1 ZINC000833557210 605298449 /nfs/dbraw/zinc/29/84/49/605298449.db2.gz QBIGJOUHYNBASW-SECBINFHSA-N -2 3 396.259 2.365 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3n[nH]c(CNC(=O)[O-])n3)cc2)cc1 ZINC000830421321 605351790 /nfs/dbraw/zinc/35/17/90/605351790.db2.gz PSSCFDGZWRWRGZ-UHFFFAOYSA-N -2 3 387.421 2.349 20 0 GEADHL Cc1ccc(-n2[n-]c(C(=O)N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)cc2=O)cc1 ZINC000822223751 606027862 /nfs/dbraw/zinc/02/78/62/606027862.db2.gz IYWAQQQWLHZDOF-ZDUSSCGKSA-N -2 3 389.419 2.145 20 0 GEADHL Cc1ccc(-n2[n-]c(C(=O)N[C@@H](C)c3cccc(-c4nn[n-]n4)c3)cc2=O)cc1 ZINC000822223751 606027868 /nfs/dbraw/zinc/02/78/68/606027868.db2.gz IYWAQQQWLHZDOF-ZDUSSCGKSA-N -2 3 389.419 2.145 20 0 GEADHL O=C([O-])c1ccc2c(=O)n3c(nc2c1)C(=Cc1ccc(-c2nnn[n-]2)s1)CC3 ZINC000823391631 606389875 /nfs/dbraw/zinc/38/98/75/606389875.db2.gz AKZHEBRIJUSWPJ-CLFYSBASSA-N -2 3 392.400 2.281 20 0 GEADHL CC(C)Cc1nnc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)s1 ZINC000820108539 606468182 /nfs/dbraw/zinc/46/81/82/606468182.db2.gz MHYAUOKHKWWADS-UHFFFAOYSA-N -2 3 399.889 2.371 20 0 GEADHL CC(C)Cc1nnc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)s1 ZINC000820108539 606468184 /nfs/dbraw/zinc/46/81/84/606468184.db2.gz MHYAUOKHKWWADS-UHFFFAOYSA-N -2 3 399.889 2.371 20 0 GEADHL O=S(=O)([N-]c1nnc(C2CC2)s1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823589428 606469666 /nfs/dbraw/zinc/46/96/66/606469666.db2.gz ZANCMVHHCBFZPD-UHFFFAOYSA-N -2 3 383.846 2.050 20 0 GEADHL O=S(=O)([N-]c1nnc(C2CC2)s1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823589428 606469667 /nfs/dbraw/zinc/46/96/67/606469667.db2.gz ZANCMVHHCBFZPD-UHFFFAOYSA-N -2 3 383.846 2.050 20 0 GEADHL CC(C)(C)n1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000819971711 606606324 /nfs/dbraw/zinc/60/63/24/606606324.db2.gz RPHKCEGMJLWVFE-UHFFFAOYSA-N -2 3 381.849 2.272 20 0 GEADHL CCc1ccc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nnn[n-]2)cc1 ZINC000821486782 606607047 /nfs/dbraw/zinc/60/70/47/606607047.db2.gz LLGTYIFLQRQTRB-UHFFFAOYSA-N -2 3 375.458 2.181 20 0 GEADHL Cc1cccc([N-]S(=O)(=O)c2cc(Br)cc(-c3nnn[n-]3)c2)n1 ZINC000822328113 606637341 /nfs/dbraw/zinc/63/73/41/606637341.db2.gz LKWJVQFBVHIDOD-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL Cc1cccc([N-]S(=O)(=O)c2cc(Br)cc(-c3nn[n-]n3)c2)n1 ZINC000822328113 606637342 /nfs/dbraw/zinc/63/73/42/606637342.db2.gz LKWJVQFBVHIDOD-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL CC(C)(C)n1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)C=Cc2ccc(F)cc2)n1 ZINC000819971513 606706866 /nfs/dbraw/zinc/70/68/66/606706866.db2.gz NLYCQUVRJNSAHD-CMDGGOBGSA-N -2 3 391.432 2.370 20 0 GEADHL CC(C)Cn1cnc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2Cl)c1 ZINC000820112231 606710253 /nfs/dbraw/zinc/71/02/53/606710253.db2.gz NUFNPNQQMVFERE-UHFFFAOYSA-N -2 3 381.849 2.173 20 0 GEADHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)ccc1Cl ZINC000823387367 606763813 /nfs/dbraw/zinc/76/38/13/606763813.db2.gz IYDYCXOEKPZWFQ-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)ccc1Cl ZINC000823387367 606763815 /nfs/dbraw/zinc/76/38/15/606763815.db2.gz IYDYCXOEKPZWFQ-UHFFFAOYSA-N -3 3 397.775 2.158 20 0 GEADHL O=S(=O)([N-]c1cc(C2CCCCCC2)[nH]n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823583702 606780194 /nfs/dbraw/zinc/78/01/94/606780194.db2.gz YPXUVOHBHWNHAZ-UHFFFAOYSA-N -2 3 388.457 2.223 20 0 GEADHL CC(C)CC1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CCC1 ZINC000820061469 606838698 /nfs/dbraw/zinc/83/86/98/606838698.db2.gz CEJHENLDWVKTKM-UHFFFAOYSA-N -2 3 377.470 2.029 20 0 GEADHL CC(C)CC1(C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CCC1 ZINC000820061469 606838700 /nfs/dbraw/zinc/83/87/00/606838700.db2.gz CEJHENLDWVKTKM-UHFFFAOYSA-N -2 3 377.470 2.029 20 0 GEADHL COc1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c(C)c1 ZINC000821838859 606866182 /nfs/dbraw/zinc/86/61/82/606866182.db2.gz QRMGFJKKOMKDRG-UHFFFAOYSA-N -2 3 381.364 2.263 20 0 GEADHL COc1ccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c(C)c1 ZINC000821838859 606866184 /nfs/dbraw/zinc/86/61/84/606866184.db2.gz QRMGFJKKOMKDRG-UHFFFAOYSA-N -2 3 381.364 2.263 20 0 GEADHL O=S(=O)([N-]c1cc(F)c(F)cc1F)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823583145 606866631 /nfs/dbraw/zinc/86/66/31/606866631.db2.gz IRYVJLUGKINVKT-UHFFFAOYSA-N -2 3 391.281 2.363 20 0 GEADHL O=S(=O)([N-]c1cc(F)c(F)cc1F)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823583145 606866633 /nfs/dbraw/zinc/86/66/33/606866633.db2.gz IRYVJLUGKINVKT-UHFFFAOYSA-N -2 3 391.281 2.363 20 0 GEADHL O=S(=O)([N-]CCCc1ccccc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823572109 606883854 /nfs/dbraw/zinc/88/38/54/606883854.db2.gz BOPQXMFZOAGFIN-UHFFFAOYSA-N -2 3 379.392 2.056 20 0 GEADHL O=S(=O)([N-][C@@H]1C[C@H]1c1cccc(F)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823573198 606889295 /nfs/dbraw/zinc/88/92/95/606889295.db2.gz RYJTXLMMVXOOLF-SMDDNHRTSA-N -2 3 395.366 2.118 20 0 GEADHL O=S(=O)([N-]C1(c2cccc(F)c2)CC1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823566371 606893202 /nfs/dbraw/zinc/89/32/02/606893202.db2.gz FGRUMHWDWCAIIJ-UHFFFAOYSA-N -2 3 395.366 2.252 20 0 GEADHL C[C@@]1(c2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000820634193 606893767 /nfs/dbraw/zinc/89/37/67/606893767.db2.gz FVBUCJKFSHZMIW-YOEHRIQHSA-N -2 3 391.403 2.153 20 0 GEADHL Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000822210401 607108938 /nfs/dbraw/zinc/10/89/38/607108938.db2.gz AAMZARZPKRDGTQ-GFCCVEGCSA-N -2 3 397.391 2.045 20 0 GEADHL Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000822210401 607108940 /nfs/dbraw/zinc/10/89/40/607108940.db2.gz AAMZARZPKRDGTQ-GFCCVEGCSA-N -2 3 397.391 2.045 20 0 GEADHL O=S(=O)([N-]c1cc(F)ccc1OC(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000823583357 607113781 /nfs/dbraw/zinc/11/37/81/607113781.db2.gz OYVNUHXXQDGQDJ-UHFFFAOYSA-N -2 3 385.327 2.408 20 0 GEADHL O=S(=O)([N-]c1cc(F)ccc1OC(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000823583357 607113783 /nfs/dbraw/zinc/11/37/83/607113783.db2.gz OYVNUHXXQDGQDJ-UHFFFAOYSA-N -2 3 385.327 2.408 20 0 GEADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822020488 607122229 /nfs/dbraw/zinc/12/22/29/607122229.db2.gz DIDYHOMODVZFPU-UHFFFAOYSA-N -2 3 393.812 2.328 20 0 GEADHL CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)n[nH]1 ZINC000821016467 607152156 /nfs/dbraw/zinc/15/21/56/607152156.db2.gz WXVMSSBHSYFNRH-VIFPVBQESA-N -2 3 379.421 2.433 20 0 GEADHL CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)n[nH]1 ZINC000821016467 607152157 /nfs/dbraw/zinc/15/21/57/607152157.db2.gz WXVMSSBHSYFNRH-VIFPVBQESA-N -2 3 379.421 2.433 20 0 GEADHL CCOc1ccc(-c2nn[n-]n2)cc1[N-]S(=O)(=O)c1sccc1OC ZINC000821417061 607155097 /nfs/dbraw/zinc/15/50/97/607155097.db2.gz HWGLKMCQKUBSLW-UHFFFAOYSA-N -2 3 381.439 2.136 20 0 GEADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000826450377 607922868 /nfs/dbraw/zinc/92/28/68/607922868.db2.gz JNWZLOPFITZYFL-VHDGCEQUSA-N -2 3 389.481 2.278 20 0 GEADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000826450377 607922869 /nfs/dbraw/zinc/92/28/69/607922869.db2.gz JNWZLOPFITZYFL-VHDGCEQUSA-N -2 3 389.481 2.278 20 0 GEADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(-c2ccoc2)c1 ZINC000826450567 608039229 /nfs/dbraw/zinc/03/92/29/608039229.db2.gz RQYCYHCMAFOJBT-UHFFFAOYSA-N -2 3 395.400 2.245 20 0 GEADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(-c2ccoc2)c1 ZINC000826450567 608039230 /nfs/dbraw/zinc/03/92/30/608039230.db2.gz RQYCYHCMAFOJBT-UHFFFAOYSA-N -2 3 395.400 2.245 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cccc(OCC(F)F)n1 ZINC000826280376 608110992 /nfs/dbraw/zinc/11/09/92/608110992.db2.gz ZLMUNJSGROXSAV-UHFFFAOYSA-N -2 3 396.379 2.015 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)nn1-c1ccccc1 ZINC000826255604 608219928 /nfs/dbraw/zinc/21/99/28/608219928.db2.gz DGYSPNHBEQSFJI-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)nn1-c1ccccc1 ZINC000826255604 608219930 /nfs/dbraw/zinc/21/99/30/608219930.db2.gz DGYSPNHBEQSFJI-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)cnn1CC(C)C ZINC000826303874 608269822 /nfs/dbraw/zinc/26/98/22/608269822.db2.gz KBCFSTOKKIBUDS-UHFFFAOYSA-N -2 3 375.458 2.137 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cnn1CC(C)C ZINC000826303874 608269824 /nfs/dbraw/zinc/26/98/24/608269824.db2.gz KBCFSTOKKIBUDS-UHFFFAOYSA-N -2 3 375.458 2.137 20 0 GEADHL Cc1[n-]n(-c2cc(C)ccc2C)c(=O)c1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824858380 608493714 /nfs/dbraw/zinc/49/37/14/608493714.db2.gz JPZUOXCMHLCTMH-QGZVFWFLSA-N -2 3 389.419 2.461 20 0 GEADHL Cc1[n-]n(-c2cc(C)ccc2C)c(=O)c1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824858380 608493715 /nfs/dbraw/zinc/49/37/15/608493715.db2.gz JPZUOXCMHLCTMH-QGZVFWFLSA-N -2 3 389.419 2.461 20 0 GEADHL COc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826209177 608528480 /nfs/dbraw/zinc/52/84/80/608528480.db2.gz PXBQTRMKYCQSQW-UHFFFAOYSA-N -2 3 383.792 2.469 20 0 GEADHL COc1ccc(F)cc1[N-]S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826209177 608528481 /nfs/dbraw/zinc/52/84/81/608528481.db2.gz PXBQTRMKYCQSQW-UHFFFAOYSA-N -2 3 383.792 2.469 20 0 GEADHL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1C ZINC000825082984 608581848 /nfs/dbraw/zinc/58/18/48/608581848.db2.gz WJUGLXDUPUMIPF-LLVKDONJSA-N -2 3 375.458 2.452 20 0 GEADHL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1C ZINC000825082984 608581849 /nfs/dbraw/zinc/58/18/49/608581849.db2.gz WJUGLXDUPUMIPF-LLVKDONJSA-N -2 3 375.458 2.452 20 0 GEADHL CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1C ZINC000825082989 608582192 /nfs/dbraw/zinc/58/21/92/608582192.db2.gz WJUGLXDUPUMIPF-NSHDSACASA-N -2 3 375.458 2.452 20 0 GEADHL CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1C ZINC000825082989 608582193 /nfs/dbraw/zinc/58/21/93/608582193.db2.gz WJUGLXDUPUMIPF-NSHDSACASA-N -2 3 375.458 2.452 20 0 GEADHL C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000824744659 609258975 /nfs/dbraw/zinc/25/89/75/609258975.db2.gz CXXIGIAXIHTJIV-ZDUSSCGKSA-N -2 3 387.440 2.175 20 0 GEADHL C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000824744659 609258976 /nfs/dbraw/zinc/25/89/76/609258976.db2.gz CXXIGIAXIHTJIV-ZDUSSCGKSA-N -2 3 387.440 2.175 20 0 GEADHL CC(C)(C)c1nnc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)s1 ZINC000824141979 609263312 /nfs/dbraw/zinc/26/33/12/609263312.db2.gz QFGODIHKACGYCP-UHFFFAOYSA-N -2 3 399.889 2.470 20 0 GEADHL CC(C)(C)c1nnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)s1 ZINC000824141979 609263314 /nfs/dbraw/zinc/26/33/14/609263314.db2.gz QFGODIHKACGYCP-UHFFFAOYSA-N -2 3 399.889 2.470 20 0 GEADHL CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000824025113 609467516 /nfs/dbraw/zinc/46/75/16/609467516.db2.gz VJHSCCCQOGGINO-UHFFFAOYSA-N -2 3 375.385 2.318 20 0 GEADHL CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000824025113 609467518 /nfs/dbraw/zinc/46/75/18/609467518.db2.gz VJHSCCCQOGGINO-UHFFFAOYSA-N -2 3 375.385 2.318 20 0 GEADHL COc1cc(SC)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000446624296 649985081 /nfs/dbraw/zinc/98/50/81/649985081.db2.gz NSJDBENVCHXORP-UHFFFAOYSA-N -2 3 378.431 2.102 20 0 GEADHL O=C(Nc1ccncc1[O-])c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000512019135 650543917 /nfs/dbraw/zinc/54/39/17/650543917.db2.gz VVOZXYUYEVHDMR-UHFFFAOYSA-N -2 3 375.431 2.324 20 0 GEADHL CS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC000479482661 650604795 /nfs/dbraw/zinc/60/47/95/650604795.db2.gz KDGHHOUYYFMSBQ-UHFFFAOYSA-N -2 3 383.476 2.469 20 0 GEADHL O=C([O-])c1coc(C[N-]S(=O)(=O)c2ccc(Br)cc2F)c1 ZINC000527491348 650676808 /nfs/dbraw/zinc/67/68/08/650676808.db2.gz VJKJYWAKSZBQQH-UHFFFAOYSA-N -2 3 378.175 2.358 20 0 GEADHL O=C([N-][N-]S(=O)(=O)c1cccc(OC(F)(F)F)c1)c1ccccc1F ZINC000024254001 642417258 /nfs/dbraw/zinc/41/72/58/642417258.db2.gz MUXUVQKPPQTCAN-UHFFFAOYSA-N -2 3 378.303 2.348 20 0 GEADHL CO[N-]C(=O)[C@@H](CCSC)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000025825454 642428902 /nfs/dbraw/zinc/42/89/02/642428902.db2.gz LBFOBFYINYFTQJ-SNVBAGLBSA-N -2 3 387.310 2.071 20 0 GEADHL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000057115886 642805312 /nfs/dbraw/zinc/80/53/12/642805312.db2.gz QHSMJEKPUPSVDM-UHFFFAOYSA-N -2 3 388.442 2.315 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1S(C)(=O)=O ZINC000536195992 650798023 /nfs/dbraw/zinc/79/80/23/650798023.db2.gz CXAGHZURIGYTME-UHFFFAOYSA-N -2 3 383.447 2.206 20 0 GEADHL O=C([N-]NC(=O)c1cc(Cl)ccc1[O-])c1n[nH]c(C2CC2)c1Br ZINC000068461697 643000042 /nfs/dbraw/zinc/00/00/42/643000042.db2.gz PADGVGZNKNLDGI-UHFFFAOYSA-N -2 3 399.632 2.483 20 0 GEADHL CC(C)(C)CC(=O)[N-][N-]S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000184492119 645019264 /nfs/dbraw/zinc/01/92/64/645019264.db2.gz YAECZMMUSMKBCG-UHFFFAOYSA-N -2 3 391.287 2.130 20 0 GEADHL COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1cccs1 ZINC000547544508 651030481 /nfs/dbraw/zinc/03/04/81/651030481.db2.gz JJBVZERKFCRTFK-LBPRGKRZSA-N -2 3 389.838 2.292 20 0 GEADHL O=C([O-])[C@@H](Cc1c[nH]cn1)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000547869026 651048560 /nfs/dbraw/zinc/04/85/60/651048560.db2.gz HMWNLGRPOVJXIU-SNVBAGLBSA-N -2 3 397.762 2.056 20 0 GEADHL O=C([O-])[C@@H](Cc1cnc[nH]1)[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000547869026 651048562 /nfs/dbraw/zinc/04/85/62/651048562.db2.gz HMWNLGRPOVJXIU-SNVBAGLBSA-N -2 3 397.762 2.056 20 0 GEADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)(C)C ZINC000547915641 651054598 /nfs/dbraw/zinc/05/45/98/651054598.db2.gz FTSGGZVDPSRHKM-LLVKDONJSA-N -2 3 398.250 2.374 20 0 GEADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@@](C)(CC(=O)[O-])C(=O)[O-] ZINC000547935011 651056684 /nfs/dbraw/zinc/05/66/84/651056684.db2.gz NXLTUNXUCSHZKG-OAHLLOKOSA-N -3 3 389.813 2.239 20 0 GEADHL CCCc1cnc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)s1 ZINC000271849788 646234407 /nfs/dbraw/zinc/23/44/07/646234407.db2.gz CMMXSPKEWVCDLO-UHFFFAOYSA-N -2 3 393.487 2.407 20 0 GEADHL CCC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000274966854 646337796 /nfs/dbraw/zinc/33/77/96/646337796.db2.gz IHMPXHSUMUYEQY-SNVBAGLBSA-N -2 3 387.763 2.460 20 0 GEADHL CCOC(=O)CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000278146112 646497524 /nfs/dbraw/zinc/49/75/24/646497524.db2.gz NZKFGISYSQEBIW-VIFPVBQESA-N -2 3 384.237 2.068 20 0 GEADHL COC(=O)c1sc(S(=O)(=O)[N-]CC[C@@H](C)CC(=O)[O-])c(C)c1Cl ZINC000278768184 646547625 /nfs/dbraw/zinc/54/76/25/646547625.db2.gz SJYNDFKMHDJGFJ-SSDOTTSWSA-N -2 3 383.875 2.276 20 0 GEADHL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Br ZINC000389162133 647890520 /nfs/dbraw/zinc/89/05/20/647890520.db2.gz LVODYKAKJCZTFI-UHFFFAOYSA-N -2 3 388.243 2.298 20 0 GEADHL CCc1ncc(S(=O)(=O)[N-]CCCc2nc(C)c(C(=O)[O-])s2)s1 ZINC000548200828 651067887 /nfs/dbraw/zinc/06/78/87/651067887.db2.gz ZKGLJHCLAQEFFP-UHFFFAOYSA-N -2 3 375.497 2.080 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccccc2F)s1 ZINC000548243872 651071934 /nfs/dbraw/zinc/07/19/34/651071934.db2.gz YQEZSTFMYQFKAF-NSHDSACASA-N -2 3 387.410 2.168 20 0 GEADHL Cc1c(Br)ccc(C(=O)[O-])c1[N-]S(=O)(=O)Cc1ccon1 ZINC000548263022 651074265 /nfs/dbraw/zinc/07/42/65/651074265.db2.gz NMJGIYBCTBMJMH-UHFFFAOYSA-N -2 3 375.200 2.386 20 0 GEADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]C[C@H](C(=O)[O-])C(C)C ZINC000548265480 651074438 /nfs/dbraw/zinc/07/44/38/651074438.db2.gz CAOJCELPCREJLI-NSHDSACASA-N -2 3 385.463 2.323 20 0 GEADHL COC(=O)c1csc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cc(C)cc(C)c2)c1 ZINC000548268705 651075259 /nfs/dbraw/zinc/07/52/59/651075259.db2.gz ISWYKTJBGPHITI-AWEZNQCLSA-N -2 3 383.447 2.256 20 0 GEADHL COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)[N-]c1cc(F)c(F)cc1C(=O)[O-] ZINC000548526624 651079143 /nfs/dbraw/zinc/07/91/43/651079143.db2.gz LLOHJGPXICBFGL-AMIZOPFISA-N -2 3 377.365 2.137 20 0 GEADHL COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)[N-]c1cc(F)c(F)cc1C(=O)[O-] ZINC000548526627 651079163 /nfs/dbraw/zinc/07/91/63/651079163.db2.gz LLOHJGPXICBFGL-OQPBUACISA-N -2 3 377.365 2.137 20 0 GEADHL COc1cccc([C@H]([N-]S(=O)(=O)c2cc(F)c(F)cc2F)C(=O)[O-])c1 ZINC000548531669 651079338 /nfs/dbraw/zinc/07/93/38/651079338.db2.gz TUKCIENKUODMDX-AWEZNQCLSA-N -2 3 375.324 2.217 20 0 GEADHL CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1C(=O)OC)C(=O)[O-] ZINC000555456661 651226496 /nfs/dbraw/zinc/22/64/96/651226496.db2.gz TVZRVBSSZVJRGS-ZYHUDNBSSA-N -2 3 375.418 2.170 20 0 GEADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000557082892 651262005 /nfs/dbraw/zinc/26/20/05/651262005.db2.gz DKLKIDPPLRCNSI-VHSXEESVSA-N -2 3 383.447 2.220 20 0 GEADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CC1(C(=O)[O-])CCC1 ZINC000560421963 651309455 /nfs/dbraw/zinc/30/94/55/651309455.db2.gz VBHHOMCJQQRCOM-UHFFFAOYSA-N -2 3 383.447 2.221 20 0 GEADHL O=c1cc(C(F)(F)F)nc(SCC2=Nc3ccccc3S(=O)(=O)[N-]2)[n-]1 ZINC000605447847 651537634 /nfs/dbraw/zinc/53/76/34/651537634.db2.gz SIZAVQPWNSOONL-UHFFFAOYSA-N -2 3 390.368 2.315 20 0 GEADHL CCOC[C@@H]([N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000571373091 651828900 /nfs/dbraw/zinc/82/89/00/651828900.db2.gz ZXMILMLWJXSMSM-LLVKDONJSA-N -2 3 390.870 2.232 20 0 GEADHL O=C([O-])[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000738521800 651896953 /nfs/dbraw/zinc/89/69/53/651896953.db2.gz PLLALKRSVZAIRQ-GFCCVEGCSA-N -2 3 375.233 2.363 20 0 GEADHL O=C([O-])CN(C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CCC1 ZINC000655591500 651994281 /nfs/dbraw/zinc/99/42/81/651994281.db2.gz PRBPBTBKSARZAY-UHFFFAOYSA-N -2 3 379.210 2.370 20 0 GEADHL O=C([O-])[C@H](CN1CCCCC1)[N-]S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000574920659 652052612 /nfs/dbraw/zinc/05/26/12/652052612.db2.gz ULABEQJQTMSLSF-LBPRGKRZSA-N -2 3 399.271 2.350 20 0 GEADHL C[N-]S(=O)(=O)c1c(F)cccc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC000576701208 652138431 /nfs/dbraw/zinc/13/84/31/652138431.db2.gz QZXYTBYWQCDQCB-UHFFFAOYSA-N -2 3 384.454 2.412 20 0 GEADHL O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000577146218 652165462 /nfs/dbraw/zinc/16/54/62/652165462.db2.gz FWXZKMLEEOQPRF-KOLCDFICSA-N -2 3 379.210 2.274 20 0 GEADHL CCc1ncc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(OC)c(Cl)c2)s1 ZINC000578067614 652240973 /nfs/dbraw/zinc/24/09/73/652240973.db2.gz XGTXSMWCQNXVIL-ZDUSSCGKSA-N -2 3 390.870 2.472 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2CCC(=O)[O-])s1 ZINC000578851960 652299151 /nfs/dbraw/zinc/29/91/51/652299151.db2.gz PTIKHIXMHVIQJO-GHMZBOCLSA-N -2 3 375.468 2.237 20 0 GEADHL CC(C)(C)C(F)(F)C[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000660106411 652386831 /nfs/dbraw/zinc/38/68/31/652386831.db2.gz DOUMKQSJUSEHSB-UHFFFAOYSA-N -2 3 388.433 2.157 20 0 GEADHL COc1ccccc1C1(C[N-]S(=O)(=O)c2scnc2C(=O)[O-])CCC1 ZINC000583438332 652484947 /nfs/dbraw/zinc/48/49/47/652484947.db2.gz DYWPNRYDAQYFNV-UHFFFAOYSA-N -2 3 382.463 2.250 20 0 GEADHL CCC[C@@H](O)[C@H]([N-]S(=O)(=O)c1nc(C)sc1-c1ccccc1)C(=O)[O-] ZINC000663287127 652488400 /nfs/dbraw/zinc/48/84/00/652488400.db2.gz WTNSNXONLBZHGT-OLZOCXBDSA-N -2 3 384.479 2.011 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]CCc2nc(C(F)(F)F)cs2)oc1C(=O)[O-] ZINC000663425123 652498674 /nfs/dbraw/zinc/49/86/74/652498674.db2.gz VRKAZHLIGINXAT-UHFFFAOYSA-N -2 3 384.357 2.283 20 0 GEADHL Cc1cc(S(=O)(=O)[N-][C@H](C)COc2c(F)cccc2F)oc1C(=O)[O-] ZINC000663427467 652498901 /nfs/dbraw/zinc/49/89/01/652498901.db2.gz IMBUDWRJEKWEBM-SECBINFHSA-N -2 3 375.349 2.310 20 0 GEADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)C(=O)OC(C)(C)C ZINC000592136705 652588588 /nfs/dbraw/zinc/58/85/88/652588588.db2.gz DOHRGMQANQPCBE-ZANVPECISA-N -2 3 375.443 2.321 20 0 GEADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]Cc2cccnc2)s1 ZINC000761231399 652637637 /nfs/dbraw/zinc/63/76/37/652637637.db2.gz JLILNRDDLAFZIW-UHFFFAOYSA-N -2 3 377.241 2.082 20 0 GEADHL O=C([O-])c1cc(Br)c(S(=O)(=O)[N-]CCc2cccnc2)s1 ZINC000761244178 652638045 /nfs/dbraw/zinc/63/80/45/652638045.db2.gz JPOVOJNSLQJCPL-UHFFFAOYSA-N -2 3 391.268 2.125 20 0 GEADHL O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)c1ccc([O-])c(F)c1 ZINC000669622141 652709094 /nfs/dbraw/zinc/70/90/94/652709094.db2.gz SJZZFVRTJCKGIJ-UHFFFAOYSA-N -2 3 390.795 2.032 20 0 GEADHL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000764551280 652804978 /nfs/dbraw/zinc/80/49/78/652804978.db2.gz XDBTWBGOKQZPJB-UHFFFAOYSA-N -2 3 393.849 2.355 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)cnc1Cl ZINC000771131952 653097232 /nfs/dbraw/zinc/09/72/32/653097232.db2.gz CEAWPLGIXMIUTM-UHFFFAOYSA-N -2 3 393.849 2.355 20 0 GEADHL O=C([O-])[C@@H](Cc1ccc(O)cc1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000776440786 653348918 /nfs/dbraw/zinc/34/89/18/653348918.db2.gz YOUJGAPJGFFWQZ-GFCCVEGCSA-N -2 3 391.232 2.068 20 0 GEADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](CCCc1ccccc1)C(=O)[O-] ZINC000776549003 653356393 /nfs/dbraw/zinc/35/63/93/653356393.db2.gz JEOKDAJWUNIRET-ZDUSSCGKSA-N -2 3 385.873 2.136 20 0 GEADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](CCCc1ccccc1)C(=O)[O-] ZINC000776549002 653356515 /nfs/dbraw/zinc/35/65/15/653356515.db2.gz JEOKDAJWUNIRET-CYBMUJFWSA-N -2 3 385.873 2.136 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)[C@H](O)c1ccccc1 ZINC000776594978 653362594 /nfs/dbraw/zinc/36/25/94/653362594.db2.gz FEGMMWAQHBCVSZ-ZIAGYGMSSA-N -2 3 390.244 2.459 20 0 GEADHL O=C([O-])[C@@H](CC1CCOCC1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000776603176 653363559 /nfs/dbraw/zinc/36/35/59/653363559.db2.gz UWICAXVYYILTCD-SECBINFHSA-N -2 3 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Cc1cc(S(=O)(=O)[N-][C@H](C[C@@H]2CCCO2)C(F)(F)F)ccc1C(=O)[O-] ZINC000656179967 532609464 /nfs/dbraw/zinc/60/94/64/532609464.db2.gz CPXVNJGXXDTJBT-GXFFZTMASA-N -2 3 381.372 2.472 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-][C@@H](C[C@H]2CCCO2)C(F)(F)F)c1C(=O)[O-] ZINC000656180756 532609538 /nfs/dbraw/zinc/60/95/38/532609538.db2.gz LFKKUFBSHIMUOZ-PWSUYJOCSA-N -2 3 381.372 2.472 20 0 GEADHL O=C([O-])Cc1cccc(S(=O)(=O)[N-][C@@H](C[C@@H]2CCCO2)C(F)(F)F)c1 ZINC000656181851 532609660 /nfs/dbraw/zinc/60/96/60/532609660.db2.gz XELDLWKCCNZYHZ-AAEUAGOBSA-N -2 3 381.372 2.092 20 0 GEADHL CO[C@H](CS(=O)(=O)[N-]c1ccccc1[N-]S(C)(=O)=O)C1CCCC1 ZINC000656617064 532622834 /nfs/dbraw/zinc/62/28/34/532622834.db2.gz ZMVKDMDFCLHODV-OAHLLOKOSA-N -2 3 376.500 2.005 20 0 GEADHL CCC(=O)c1ccc([O-])c(NC(=O)CC[N-]S(=O)(=O)c2cccs2)c1 ZINC000436653252 532641806 /nfs/dbraw/zinc/64/18/06/532641806.db2.gz TZKDEPXQQOXQBR-UHFFFAOYSA-N -2 3 382.463 2.354 20 0 GEADHL NS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c1 ZINC000436870373 532645168 /nfs/dbraw/zinc/64/51/68/532645168.db2.gz HQMDDKCEIWQYLP-UHFFFAOYSA-N -2 3 376.312 2.016 20 0 GEADHL COc1cc(F)c(S(=O)(=O)[N-][C@@H](C)CCC[C@@H](C)C(=O)[O-])cc1OC ZINC000392618678 532708344 /nfs/dbraw/zinc/70/83/44/532708344.db2.gz MFUMIIGWXATBIM-MNOVXSKESA-N -2 3 377.434 2.401 20 0 GEADHL CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F)C(=O)OC ZINC000573248826 532710023 /nfs/dbraw/zinc/71/00/23/532710023.db2.gz JXKHOKKEOHWPJL-BXKDBHETSA-N -2 3 375.418 2.088 20 0 GEADHL Cc1c(Br)cc([N-]S(=O)(=O)Cc2ccon2)cc1C(=O)[O-] ZINC000576213672 532727144 /nfs/dbraw/zinc/72/71/44/532727144.db2.gz FPOPMKJCUQNZLB-UHFFFAOYSA-N -2 3 375.200 2.386 20 0 GEADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2n[nH]c(C)c2C)c(F)c1 ZINC000584571299 532769435 /nfs/dbraw/zinc/76/94/35/532769435.db2.gz YATUSTSGPMGZQU-UHFFFAOYSA-N -2 3 390.462 2.118 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](Cc2cccnc2)C(=O)[O-])c(Cl)cc1F ZINC000547569242 532786879 /nfs/dbraw/zinc/78/68/79/532786879.db2.gz IRNKLACYMVHSMH-GFCCVEGCSA-N -2 3 386.832 2.404 20 0 GEADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](Cc2ccco2)C(=O)[O-])s1 ZINC000547612657 532787939 /nfs/dbraw/zinc/78/79/39/532787939.db2.gz HWHVUUPFCMDQKO-JTQLQIEISA-N -2 3 394.268 2.386 20 0 GEADHL CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)cc1Cl ZINC000548225155 532789603 /nfs/dbraw/zinc/78/96/03/532789603.db2.gz SNGPXJCHBVGLRI-UHFFFAOYSA-N -2 3 392.836 2.361 20 0 GEADHL COc1cc(F)c(S(=O)(=O)[N-]CCC(C)(C)CCC(=O)[O-])cc1OC ZINC000327197394 532791555 /nfs/dbraw/zinc/79/15/55/532791555.db2.gz FFDDEPKXYMOQCR-UHFFFAOYSA-N -2 3 377.434 2.402 20 0 GEADHL O=C([O-])[C@@H](O)[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000549549283 532794619 /nfs/dbraw/zinc/79/46/19/532794619.db2.gz OPNZOCNONBMXLG-ZFWWWQNUSA-N -2 3 377.409 2.028 20 0 GEADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ncc(C)s2)c(OC)c1 ZINC000270453981 532798529 /nfs/dbraw/zinc/79/85/29/532798529.db2.gz BRELOUWSYQHXMO-UHFFFAOYSA-N -2 3 391.496 2.023 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OCCN(C)C)cc2)sc1C(=O)[O-] ZINC000271230399 532804908 /nfs/dbraw/zinc/80/49/08/532804908.db2.gz UCUALDKMZKAGIK-UHFFFAOYSA-N -2 3 384.479 2.496 20 0 GEADHL CCCc1cc(=O)n2nc([N-]S(=O)(=O)c3cc(C)c(Cl)s3)[n-]c2n1 ZINC000288516204 532829741 /nfs/dbraw/zinc/82/97/41/532829741.db2.gz FZZMDDPYOZFPDR-UHFFFAOYSA-N -2 3 387.874 2.194 20 0 GEADHL CCC(CC)([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl)C(N)=O ZINC000273702123 532831699 /nfs/dbraw/zinc/83/16/99/532831699.db2.gz NUIQTWDGLWRCMM-UHFFFAOYSA-N -2 3 383.253 2.014 20 0 GEADHL C[C@@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000273731216 532832607 /nfs/dbraw/zinc/83/26/07/532832607.db2.gz NMVLGAKATJWIQW-AMIZOPFISA-N -2 3 393.292 2.453 20 0 GEADHL CSC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Br ZINC000273743760 532832999 /nfs/dbraw/zinc/83/29/99/532832999.db2.gz UFZOQAWYRPXVPW-ZCFIWIBFSA-N -2 3 386.264 2.316 20 0 GEADHL COc1ccc(Br)c(S(=O)(=O)[N-][C@H](C)CCCC(=O)[O-])c1 ZINC000274977086 532860798 /nfs/dbraw/zinc/86/07/98/532860798.db2.gz LBVWQYHRZAWCRR-SECBINFHSA-N -2 3 380.260 2.379 20 0 GEADHL COC(=O)Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCCCC[C@H]2C(=O)[O-])s1 ZINC000275055418 532862546 /nfs/dbraw/zinc/86/25/46/532862546.db2.gz TUEAUKPUNNBJOY-CHWSQXEVSA-N -2 3 389.495 2.166 20 0 GEADHL Cc1nc(CCC[N-]S(=O)(=O)c2cncc(Cl)c2)sc1C(=O)[O-] ZINC000275168611 532867541 /nfs/dbraw/zinc/86/75/41/532867541.db2.gz BPOKUROJIDFLGV-UHFFFAOYSA-N -2 3 375.859 2.109 20 0 GEADHL COc1ccsc1S(=O)(=O)[N-]CCCc1nc(C)c(C(=O)[O-])s1 ZINC000275263316 532870494 /nfs/dbraw/zinc/87/04/94/532870494.db2.gz MMYXGXQOKYKJMZ-UHFFFAOYSA-N -2 3 376.481 2.131 20 0 GEADHL C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1)C(=O)[O-] ZINC000275287990 532871371 /nfs/dbraw/zinc/87/13/71/532871371.db2.gz SXIMZAAYEFOZJO-DGCLKSJQSA-N -2 3 391.873 2.287 20 0 GEADHL Cc1nc(CCC[N-]S(=O)(=O)c2cc(F)cc(F)c2)sc1C(=O)[O-] ZINC000275382340 532874855 /nfs/dbraw/zinc/87/48/55/532874855.db2.gz ZRWMFAANDHSSLV-UHFFFAOYSA-N -2 3 376.406 2.339 20 0 GEADHL CCO[C@@H]1C[C@@]([N-]S(=O)(=O)c2cc(F)c(C)cc2F)(C(=O)[O-])C1(C)C ZINC000275528484 532877821 /nfs/dbraw/zinc/87/78/21/532877821.db2.gz BLOGYTDQHYAFQF-CZUORRHYSA-N -2 3 377.409 2.210 20 0 GEADHL CCO[C@H]1C[C@]([N-]S(=O)(=O)c2ccc(F)cc2Cl)(C(=O)[O-])C1(C)C ZINC000275576120 532879227 /nfs/dbraw/zinc/87/92/27/532879227.db2.gz GWCGOHYYJMSVJQ-WFASDCNBSA-N -2 3 379.837 2.416 20 0 GEADHL O=C([O-])c1cc(Br)cc([N-]S(=O)(=O)CCOCC2CC2)c1 ZINC000424060777 532895219 /nfs/dbraw/zinc/89/52/19/532895219.db2.gz HWBAZYHTIWDJBY-UHFFFAOYSA-N -2 3 378.244 2.316 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCOCC(F)F)cc(Cl)c1Cl ZINC000276418652 532895384 /nfs/dbraw/zinc/89/53/84/532895384.db2.gz QOIXOZYWLBAKMJ-UHFFFAOYSA-N -2 3 378.180 2.252 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC2CC(F)(F)C2)c(Br)c1 ZINC000291834583 532909221 /nfs/dbraw/zinc/90/92/21/532909221.db2.gz DJKOGZGVOBKNRI-UHFFFAOYSA-N -2 3 384.198 2.471 20 0 GEADHL O=S(=O)([N-]c1ccc2ncsc2c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000738342146 598843814 /nfs/dbraw/zinc/84/38/14/598843814.db2.gz MOMDGSUJZVMFOZ-UHFFFAOYSA-N -2 3 376.398 2.416 20 0 GEADHL O=S(=O)([N-]c1ccc2ncsc2c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000738342146 598843815 /nfs/dbraw/zinc/84/38/15/598843815.db2.gz MOMDGSUJZVMFOZ-UHFFFAOYSA-N -2 3 376.398 2.416 20 0 GEADHL CCc1ccc([N-]S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)c(C(=O)[O-])c1 ZINC000736690405 598844753 /nfs/dbraw/zinc/84/47/53/598844753.db2.gz KKVPCNNQUXRLHL-UHFFFAOYSA-N -3 3 391.384 2.067 20 0 GEADHL CCc1ccc([N-]S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)c(C(=O)[O-])c1 ZINC000736690405 598844755 /nfs/dbraw/zinc/84/47/55/598844755.db2.gz KKVPCNNQUXRLHL-UHFFFAOYSA-N -3 3 391.384 2.067 20 0 GEADHL CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736602825 598929315 /nfs/dbraw/zinc/92/93/15/598929315.db2.gz NZXJNGNEDZSIAM-UHFFFAOYSA-N -2 3 387.421 2.153 20 0 GEADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2C)cc1C(=O)[O-] ZINC000822195232 607255247 /nfs/dbraw/zinc/25/52/47/607255247.db2.gz KYAWZXQBAUHIJW-UHFFFAOYSA-N -2 3 387.421 2.291 20 0 GEADHL CSc1ccccc1C(=O)[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000737192202 598975580 /nfs/dbraw/zinc/97/55/80/598975580.db2.gz RHSDUIVPVWFFQX-UHFFFAOYSA-N -2 3 389.462 2.016 20 0 GEADHL CSc1ccccc1C(=O)[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000737192202 598975582 /nfs/dbraw/zinc/97/55/82/598975582.db2.gz RHSDUIVPVWFFQX-UHFFFAOYSA-N -2 3 389.462 2.016 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCCC2 ZINC000737300047 598975068 /nfs/dbraw/zinc/97/50/68/598975068.db2.gz VGBQCOIOBPXXCW-UHFFFAOYSA-N -2 3 397.460 2.173 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1ccc2c(c1)CCCC2 ZINC000737300047 598975070 /nfs/dbraw/zinc/97/50/70/598975070.db2.gz VGBQCOIOBPXXCW-UHFFFAOYSA-N -2 3 397.460 2.173 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)c1cc(Cl)ccc1F ZINC000737297961 598976570 /nfs/dbraw/zinc/97/65/70/598976570.db2.gz HLCOXOYFOJSVMV-UHFFFAOYSA-N -2 3 395.803 2.086 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)c1cc(Cl)ccc1F ZINC000737297961 598976572 /nfs/dbraw/zinc/97/65/72/598976572.db2.gz HLCOXOYFOJSVMV-UHFFFAOYSA-N -2 3 395.803 2.086 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2C)cc(C(=O)[O-])c1C ZINC000822211700 607256157 /nfs/dbraw/zinc/25/61/57/607256157.db2.gz LIOQBWCOLVPCKS-UHFFFAOYSA-N -2 3 387.421 2.291 20 0 GEADHL O=C([N-]S(=O)(=O)CC1CC1)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738137791 599029191 /nfs/dbraw/zinc/02/91/91/599029191.db2.gz ASXJOGOSXKAUNV-UHFFFAOYSA-N -2 3 398.448 2.080 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)n(-c2ccccc2)n1 ZINC000737279888 599030390 /nfs/dbraw/zinc/03/03/90/599030390.db2.gz GBHRHAOKMRWBCQ-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)n(-c2ccccc2)n1 ZINC000737279888 599030392 /nfs/dbraw/zinc/03/03/92/599030392.db2.gz GBHRHAOKMRWBCQ-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL CS[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)C1 ZINC000230954649 602160265 /nfs/dbraw/zinc/16/02/65/602160265.db2.gz FFJZPWQWZQJNHU-RNFRBKRXSA-N -2 3 384.273 2.303 20 0 GEADHL Cc1ccccc1[C@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737419806 599190750 /nfs/dbraw/zinc/19/07/50/599190750.db2.gz DYZLDXDQIGOXLK-CYBMUJFWSA-N -2 3 385.449 2.174 20 0 GEADHL Cc1ccccc1[C@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737419806 599190751 /nfs/dbraw/zinc/19/07/51/599190751.db2.gz DYZLDXDQIGOXLK-CYBMUJFWSA-N -2 3 385.449 2.174 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1cccc(C(F)(F)F)n1 ZINC000737301141 599193628 /nfs/dbraw/zinc/19/36/28/599193628.db2.gz IXRDMMAOFZHRJI-UHFFFAOYSA-N -2 3 384.343 2.390 20 0 GEADHL CCOC(=O)c1sc2[n-]c([C@H](C)N3CCC(C(=O)[O-])CC3)nc(=O)c2c1C ZINC000739485819 596925703 /nfs/dbraw/zinc/92/57/03/596925703.db2.gz YMASEKQUBRPBSZ-JTQLQIEISA-N -2 3 393.465 2.327 20 0 GEADHL CN(CCC(=O)[O-])C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000485930402 597010143 /nfs/dbraw/zinc/01/01/43/597010143.db2.gz VTUIMNHMRNHDOY-UHFFFAOYSA-N -2 3 380.397 2.173 20 0 GEADHL O=C([O-])CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC000740484863 597025503 /nfs/dbraw/zinc/02/55/03/597025503.db2.gz WGVHNBNFYMZVJM-UHFFFAOYSA-N -2 3 386.788 2.094 20 0 GEADHL O=C([O-])CC[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000261891810 597131534 /nfs/dbraw/zinc/13/15/34/597131534.db2.gz WMSYRGFEFQBHMP-UHFFFAOYSA-N -2 3 376.150 2.221 20 0 GEADHL CCCC[C@@H](CC)CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nnn[n-]1 ZINC000736438929 599245144 /nfs/dbraw/zinc/24/51/44/599245144.db2.gz PKRNLEYXWYYGAG-CYBMUJFWSA-N -2 3 379.486 2.419 20 0 GEADHL CCCC[C@@H](CC)CC(=O)[N-]S(=O)(=O)Cc1ccccc1-c1nn[n-]n1 ZINC000736438929 599245147 /nfs/dbraw/zinc/24/51/47/599245147.db2.gz PKRNLEYXWYYGAG-CYBMUJFWSA-N -2 3 379.486 2.419 20 0 GEADHL C[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000735973628 598306457 /nfs/dbraw/zinc/30/64/57/598306457.db2.gz BZDSTFDEURLPHF-LBPRGKRZSA-N -2 3 377.470 2.278 20 0 GEADHL C[C@@H](CC(=O)[N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000735973628 598306458 /nfs/dbraw/zinc/30/64/58/598306458.db2.gz BZDSTFDEURLPHF-LBPRGKRZSA-N -2 3 377.470 2.278 20 0 GEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1cc2c(cc1Cl)OCCO2 ZINC000362957304 598366071 /nfs/dbraw/zinc/36/60/71/598366071.db2.gz DYOHMXCVCKIGDW-UHFFFAOYSA-N -2 3 393.812 2.092 20 0 GEADHL O=C(NCCNc1ncccc1-c1nnn[n-]1)c1ccc(Cl)c(Cl)c1[O-] ZINC000738081294 598385020 /nfs/dbraw/zinc/38/50/20/598385020.db2.gz AQPJUUOBXSOSMG-UHFFFAOYSA-N -2 3 394.222 2.116 20 0 GEADHL O=C(NCCNc1ncccc1-c1nn[n-]n1)c1ccc(Cl)c(Cl)c1[O-] ZINC000738081294 598385022 /nfs/dbraw/zinc/38/50/22/598385022.db2.gz AQPJUUOBXSOSMG-UHFFFAOYSA-N -2 3 394.222 2.116 20 0 GEADHL CC[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C(C)C ZINC000736335293 598414759 /nfs/dbraw/zinc/41/47/59/598414759.db2.gz ZREBVWDJAFUPFM-SNVBAGLBSA-N -2 3 385.877 2.397 20 0 GEADHL CC[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C(C)C ZINC000736335293 598414761 /nfs/dbraw/zinc/41/47/61/598414761.db2.gz ZREBVWDJAFUPFM-SNVBAGLBSA-N -2 3 385.877 2.397 20 0 GEADHL Cc1ccc(Cn2nccc2[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737343943 598438037 /nfs/dbraw/zinc/43/80/37/598438037.db2.gz ZJONIKRMKBEYIS-UHFFFAOYSA-N -2 3 395.448 2.221 20 0 GEADHL Cc1ccc(Cn2nccc2[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737343943 598438039 /nfs/dbraw/zinc/43/80/39/598438039.db2.gz ZJONIKRMKBEYIS-UHFFFAOYSA-N -2 3 395.448 2.221 20 0 GEADHL COc1ccccc1S(=O)(=O)[N-]c1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC000737155309 598548824 /nfs/dbraw/zinc/54/88/24/598548824.db2.gz HOSWNMPUFRWFFD-UHFFFAOYSA-N -2 3 397.363 2.278 20 0 GEADHL Cc1nc(S(=O)(=O)[N-]c2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)c[nH]1 ZINC000737497397 598557171 /nfs/dbraw/zinc/55/71/71/598557171.db2.gz BQYHALHRHNZENW-UHFFFAOYSA-N -2 3 397.420 2.491 20 0 GEADHL Cc1nc(S(=O)(=O)[N-]c2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)c[nH]1 ZINC000737497397 598557173 /nfs/dbraw/zinc/55/71/73/598557173.db2.gz BQYHALHRHNZENW-UHFFFAOYSA-N -2 3 397.420 2.491 20 0 GEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cn1)c1ccc(F)c(C(F)(F)F)c1 ZINC000738346283 598638204 /nfs/dbraw/zinc/63/82/04/598638204.db2.gz XNKHGQSHARZNBA-UHFFFAOYSA-N -2 3 388.306 2.220 20 0 GEADHL O=S(=O)([N-]c1ccccc1Oc1ccncc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738342182 598740389 /nfs/dbraw/zinc/74/03/89/598740389.db2.gz OBAPEPRJWJLQGY-UHFFFAOYSA-N -2 3 395.404 2.250 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2-c2nn[n-]n2)cc1C(=O)[O-] ZINC000822259229 599306743 /nfs/dbraw/zinc/30/67/43/599306743.db2.gz QFTRKWSVQRFOND-UHFFFAOYSA-N -3 3 393.812 2.328 20 0 GEADHL Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822527881 599307034 /nfs/dbraw/zinc/30/70/34/599307034.db2.gz IDPABRBUHPOAIG-UHFFFAOYSA-N -2 3 388.331 2.291 20 0 GEADHL Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822527881 599307037 /nfs/dbraw/zinc/30/70/37/599307037.db2.gz IDPABRBUHPOAIG-UHFFFAOYSA-N -2 3 388.331 2.291 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nnn[n-]2)cc1C(=O)[O-] ZINC000822259507 599307355 /nfs/dbraw/zinc/30/73/55/599307355.db2.gz ZSWPRKXMZXOQSW-UHFFFAOYSA-N -3 3 393.812 2.328 20 0 GEADHL Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)cc1C(=O)[O-] ZINC000822259507 599307359 /nfs/dbraw/zinc/30/73/59/599307359.db2.gz ZSWPRKXMZXOQSW-UHFFFAOYSA-N -3 3 393.812 2.328 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]c1nc(C(C)(C)C)ns1 ZINC000737301457 599361960 /nfs/dbraw/zinc/36/19/60/599361960.db2.gz OMMQJEUBHXTIBQ-UHFFFAOYSA-N -2 3 379.471 2.125 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]c1nc(C(C)(C)C)ns1 ZINC000737301457 599361963 /nfs/dbraw/zinc/36/19/63/599361963.db2.gz OMMQJEUBHXTIBQ-UHFFFAOYSA-N -2 3 379.471 2.125 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cnn1-c1ccccc1 ZINC000822122564 607376362 /nfs/dbraw/zinc/37/63/62/607376362.db2.gz OAIJPDWLDWIRQH-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL Cc1c([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cnn1-c1ccccc1 ZINC000822122564 607376364 /nfs/dbraw/zinc/37/63/64/607376364.db2.gz OAIJPDWLDWIRQH-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000738213279 599560889 /nfs/dbraw/zinc/56/08/89/599560889.db2.gz HCJRYMGTFFALNJ-UHFFFAOYSA-N -3 3 379.785 2.019 20 0 GEADHL O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000738213279 599560890 /nfs/dbraw/zinc/56/08/90/599560890.db2.gz HCJRYMGTFFALNJ-UHFFFAOYSA-N -3 3 379.785 2.019 20 0 GEADHL O=C(CC/C=C\c1ccccc1)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737826165 599618395 /nfs/dbraw/zinc/61/83/95/599618395.db2.gz QSEAFRRJURJFBQ-YWEYNIOJSA-N -2 3 397.460 2.306 20 0 GEADHL O=C(CC/C=C\c1ccccc1)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737826165 599618397 /nfs/dbraw/zinc/61/83/97/599618397.db2.gz QSEAFRRJURJFBQ-YWEYNIOJSA-N -2 3 397.460 2.306 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)C1CCCCCCC1 ZINC000823285580 599620307 /nfs/dbraw/zinc/62/03/07/599620307.db2.gz XEHXUCVLNOADJA-UHFFFAOYSA-N -2 3 377.470 2.173 20 0 GEADHL O=C([N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C1CCCCCCC1 ZINC000823285580 599620308 /nfs/dbraw/zinc/62/03/08/599620308.db2.gz XEHXUCVLNOADJA-UHFFFAOYSA-N -2 3 377.470 2.173 20 0 GEADHL CCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC000821007555 599620513 /nfs/dbraw/zinc/62/05/13/599620513.db2.gz ALYPTECZEPCBEQ-MRVPVSSYSA-N -2 3 391.375 2.127 20 0 GEADHL CCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000821007555 599620514 /nfs/dbraw/zinc/62/05/14/599620514.db2.gz ALYPTECZEPCBEQ-MRVPVSSYSA-N -2 3 391.375 2.127 20 0 GEADHL CC(=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C(C)(C)C ZINC000819765864 599622874 /nfs/dbraw/zinc/62/28/74/599622874.db2.gz STVWEBIZJSMYKW-CLFYSBASSA-N -2 3 383.861 2.317 20 0 GEADHL CC(=CC(=O)[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C(C)(C)C ZINC000819765864 599622875 /nfs/dbraw/zinc/62/28/75/599622875.db2.gz STVWEBIZJSMYKW-CLFYSBASSA-N -2 3 383.861 2.317 20 0 GEADHL Cc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000822227468 599623123 /nfs/dbraw/zinc/62/31/23/599623123.db2.gz JWWHRRFJAGJGOT-SECBINFHSA-N -2 3 395.828 2.030 20 0 GEADHL Cc1ccc([C@@H](C)C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000822227468 599623124 /nfs/dbraw/zinc/62/31/24/599623124.db2.gz JWWHRRFJAGJGOT-SECBINFHSA-N -2 3 395.828 2.030 20 0 GEADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CCC(=O)[O-])cc1 ZINC000738464049 599855031 /nfs/dbraw/zinc/85/50/31/599855031.db2.gz YQBOXUMGGXBYNA-UHFFFAOYSA-N -3 3 379.390 2.217 20 0 GEADHL Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)NCCOc1ccc(C(=O)[O-])cc1 ZINC000738997153 599921199 /nfs/dbraw/zinc/92/11/99/599921199.db2.gz VBSZEJBOLSCHBQ-UHFFFAOYSA-N -2 3 396.403 2.058 20 0 GEADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000737690613 599979625 /nfs/dbraw/zinc/97/96/25/599979625.db2.gz DCLFZBMPKDDNPJ-HNNXBMFYSA-N -2 3 395.408 2.497 20 0 GEADHL Cc1cc(C)[n-]c(=NNS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])n1 ZINC000738379676 600057703 /nfs/dbraw/zinc/05/77/03/600057703.db2.gz PILRLAHPEUHVMS-UHFFFAOYSA-N -2 3 390.343 2.116 20 0 GEADHL COc1cccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2C(=O)[O-])c1 ZINC000681655203 600094104 /nfs/dbraw/zinc/09/41/04/600094104.db2.gz UXEHHYYCMSOTJI-UHFFFAOYSA-N -2 3 392.433 2.031 20 0 GEADHL COC(=O)N(C)Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000735269394 600300082 /nfs/dbraw/zinc/30/00/82/600300082.db2.gz MHRJAELPBLFFEC-UHFFFAOYSA-N -2 3 378.406 2.384 20 0 GEADHL CN(Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1)C(=O)[O-] ZINC000737486076 600300870 /nfs/dbraw/zinc/30/08/70/600300870.db2.gz NSQVWSALWJKJAI-UHFFFAOYSA-N -3 3 394.405 2.061 20 0 GEADHL COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1CN(C)C ZINC000737688608 600360144 /nfs/dbraw/zinc/36/01/44/600360144.db2.gz NGYDOXVCFRTWLV-UHFFFAOYSA-N -2 3 392.433 2.034 20 0 GEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(CCN3CCSCC3)cc2)o1 ZINC000740177610 600361567 /nfs/dbraw/zinc/36/15/67/600361567.db2.gz MJHFRNOFKVCZJN-UHFFFAOYSA-N -2 3 396.490 2.370 20 0 GEADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCCC(=O)[O-])cc1 ZINC000507652474 600382941 /nfs/dbraw/zinc/38/29/41/600382941.db2.gz WXHRRHNFHSITHJ-UHFFFAOYSA-N -3 3 379.390 2.348 20 0 GEADHL COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000146188091 600482555 /nfs/dbraw/zinc/48/25/55/600482555.db2.gz YAKJHHLSUQEUHL-UHFFFAOYSA-N -2 3 399.808 2.391 20 0 GEADHL O=C([O-])c1cc(N2CCOCC2)ccc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000740080139 600485445 /nfs/dbraw/zinc/48/54/45/600485445.db2.gz CUIUDQQXHJIBQI-UHFFFAOYSA-N -2 3 394.387 2.123 20 0 GEADHL O=C([O-])Cn1cc([N-]S(=O)(=O)/C=C/c2ccccc2Br)cn1 ZINC000739912032 600530349 /nfs/dbraw/zinc/53/03/49/600530349.db2.gz VBTVOOMZDGDGAF-AATRIKPKSA-N -2 3 386.227 2.143 20 0 GEADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(O[C@H]3CCOC3)cc2)cc1 ZINC000267138965 600545696 /nfs/dbraw/zinc/54/56/96/600545696.db2.gz FBPHSXITFAETMY-INIZCTEOSA-N -2 3 377.418 2.282 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)NN=c2[n-]cc(C(F)(F)F)cc2Cl)c[nH]1 ZINC000750837615 600671075 /nfs/dbraw/zinc/67/10/75/600671075.db2.gz OBBYPEOMFLOZRQ-UHFFFAOYSA-N -2 3 384.723 2.086 20 0 GEADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1ccc(Cl)c2ccccc21 ZINC000826492669 607462646 /nfs/dbraw/zinc/46/26/46/607462646.db2.gz XHBITBZBTOMBMQ-UHFFFAOYSA-N -2 3 375.801 2.197 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCOC2CCC2)c(F)cc1Br ZINC000833304481 600790122 /nfs/dbraw/zinc/79/01/22/600790122.db2.gz MJPDUNZOHTWZQZ-UHFFFAOYSA-N -2 3 396.234 2.134 20 0 GEADHL C[C@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)N(C)c1ccccc1 ZINC000827508006 600994383 /nfs/dbraw/zinc/99/43/83/600994383.db2.gz SFEBVNUWXKOAMJ-LLVKDONJSA-N -2 3 384.404 2.466 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)c(Cl)cc1Cl ZINC000760103220 601214423 /nfs/dbraw/zinc/21/44/23/601214423.db2.gz KFFHRGQWFDZHSB-UHFFFAOYSA-N -2 3 396.248 2.456 20 0 GEADHL Cc1nc(C2([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)CCCCC2)no1 ZINC000738349576 601214492 /nfs/dbraw/zinc/21/44/92/601214492.db2.gz HJUKKUFSKLKDSS-UHFFFAOYSA-N -2 3 383.401 2.353 20 0 GEADHL Cc1oc(S(=O)(=O)[N-]CC(=O)Nc2c(C)cc(C)cc2C)cc1C(=O)[O-] ZINC000832874282 601214758 /nfs/dbraw/zinc/21/47/58/601214758.db2.gz JKCIFGFEEMAOIL-UHFFFAOYSA-N -2 3 380.422 2.128 20 0 GEADHL Cc1oc(S(=O)(=O)[N-]Cc2ccccc2-n2ccnc2C)cc1C(=O)[O-] ZINC000833026765 601219268 /nfs/dbraw/zinc/21/92/68/601219268.db2.gz JXLQIOMAFQPWAT-UHFFFAOYSA-N -2 3 375.406 2.259 20 0 GEADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCN(c3ccc(Cl)cc3)C2=O)cc1C(=O)[O-] ZINC000833027150 601222860 /nfs/dbraw/zinc/22/28/60/601222860.db2.gz CYEMJWUOTBRGKR-ZDUSSCGKSA-N -2 3 398.824 2.023 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])oc1C ZINC000275078356 601224596 /nfs/dbraw/zinc/22/45/96/601224596.db2.gz YEURXYQCCYPTIY-MEBBXXQBSA-N -2 3 381.406 2.115 20 0 GEADHL CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C12CCC2 ZINC000829931374 601238610 /nfs/dbraw/zinc/23/86/10/601238610.db2.gz NVIBSWJXRAAXGC-VXGBXAGGSA-N -2 3 375.393 2.289 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCn2cccc2)c(F)cc1Br ZINC000833305078 601269014 /nfs/dbraw/zinc/26/90/14/601269014.db2.gz WIEZENPPCTZKAD-UHFFFAOYSA-N -2 3 391.218 2.066 20 0 GEADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)c(C)o1 ZINC000262762918 601290439 /nfs/dbraw/zinc/29/04/39/601290439.db2.gz KZMLXYUOBARROV-UHFFFAOYSA-N -2 3 380.422 2.111 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-n3cncn3)c(F)c2)ccc1F ZINC000048383028 601325408 /nfs/dbraw/zinc/32/54/08/601325408.db2.gz DPBWVGRCSOQBIG-UHFFFAOYSA-N -2 3 380.332 2.045 20 0 GEADHL COC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000831078410 601387880 /nfs/dbraw/zinc/38/78/80/601387880.db2.gz LGAZVCVUVOBJRL-HNNXBMFYSA-N -2 3 397.836 2.372 20 0 GEADHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1noc(Cc2ccccc2)n1 ZINC000827755272 601405807 /nfs/dbraw/zinc/40/58/07/601405807.db2.gz OSWNZPUUYOTFAU-SNVBAGLBSA-N -2 3 393.446 2.460 20 0 GEADHL O=C([O-])[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C1CC1 ZINC000532004725 601703904 /nfs/dbraw/zinc/70/39/04/601703904.db2.gz LVNRAGOFEDGDAB-INIZCTEOSA-N -2 3 392.408 2.220 20 0 GEADHL Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC000683317811 601743209 /nfs/dbraw/zinc/74/32/09/601743209.db2.gz BEBGSLBUEOWOBM-KRWDZBQOSA-N -2 3 396.378 2.176 20 0 GEADHL NC(=O)CCOc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000833082192 601827881 /nfs/dbraw/zinc/82/78/81/601827881.db2.gz NQRVGKDMGIMSCM-UHFFFAOYSA-N -2 3 398.824 2.093 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)c1-c1nnn[n-]1 ZINC000826303890 607534664 /nfs/dbraw/zinc/53/46/64/607534664.db2.gz KXTDOPDEHQKLBY-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2ccn(-c3ccccc3)n2)c1-c1nn[n-]n1 ZINC000826303890 607534666 /nfs/dbraw/zinc/53/46/66/607534666.db2.gz KXTDOPDEHQKLBY-UHFFFAOYSA-N -2 3 381.421 2.162 20 0 GEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCCO3)c1-c1nn[n-]n1 ZINC000826303906 607534833 /nfs/dbraw/zinc/53/48/33/607534833.db2.gz LTPJBBRKGPWUQN-UHFFFAOYSA-N -2 3 387.421 2.137 20 0 GEADHL CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000825643097 607535439 /nfs/dbraw/zinc/53/54/39/607535439.db2.gz IQELADOMFRTINH-UHFFFAOYSA-N -2 3 389.437 2.383 20 0 GEADHL CCOc1ccc(OC)cc1[N-]S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000825643097 607535441 /nfs/dbraw/zinc/53/54/41/607535441.db2.gz IQELADOMFRTINH-UHFFFAOYSA-N -2 3 389.437 2.383 20 0 GEADHL CCc1ncc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cn1 ZINC000825750667 607535798 /nfs/dbraw/zinc/53/57/98/607535798.db2.gz VAYQFGQYBHZDBO-UHFFFAOYSA-N -2 3 399.358 2.039 20 0 GEADHL CCc1ncc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cn1 ZINC000825750667 607535799 /nfs/dbraw/zinc/53/57/99/607535799.db2.gz VAYQFGQYBHZDBO-UHFFFAOYSA-N -2 3 399.358 2.039 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCCCC[C@@H]2C(=O)[O-])s1 ZINC000547616271 601991413 /nfs/dbraw/zinc/99/14/13/601991413.db2.gz ZOMDRFCQRYNKCZ-QWRGUYRKSA-N -2 3 375.468 2.237 20 0 GEADHL Cc1ccn(-c2ccccc2[N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)n1 ZINC000826308968 607538168 /nfs/dbraw/zinc/53/81/68/607538168.db2.gz YIDFFQLCBHGQCQ-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL Cc1ccn(-c2ccccc2[N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)n1 ZINC000826308968 607538171 /nfs/dbraw/zinc/53/81/71/607538171.db2.gz YIDFFQLCBHGQCQ-UHFFFAOYSA-N -2 3 395.448 2.470 20 0 GEADHL Cc1csc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)n1 ZINC000063134122 602142497 /nfs/dbraw/zinc/14/24/97/602142497.db2.gz MAGUQTPTWSBMAG-UHFFFAOYSA-N -2 3 395.256 2.026 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2cc(F)ccc2F)c(Br)o1 ZINC000387377483 602153440 /nfs/dbraw/zinc/15/34/40/602153440.db2.gz GMTIZCTXCGJELA-UHFFFAOYSA-N -2 3 396.165 2.497 20 0 GEADHL CC(C)[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000761321415 602161793 /nfs/dbraw/zinc/16/17/93/602161793.db2.gz XVYMOKDCPNZISN-KWQFWETISA-N -2 3 396.259 2.080 20 0 GEADHL C[C@H](CCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824401976 607558715 /nfs/dbraw/zinc/55/87/15/607558715.db2.gz SSZNKQCPUVVDRC-CQSZACIVSA-N -2 3 399.476 2.397 20 0 GEADHL C[C@H](CCC(=O)[N-]S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824401976 607558717 /nfs/dbraw/zinc/55/87/17/607558717.db2.gz SSZNKQCPUVVDRC-CQSZACIVSA-N -2 3 399.476 2.397 20 0 GEADHL C[C@H](CCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824402019 607559743 /nfs/dbraw/zinc/55/97/43/607559743.db2.gz SZXXENJOZIDSRW-CQSZACIVSA-N -2 3 399.476 2.397 20 0 GEADHL C[C@H](CCC(=O)[N-]S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824402019 607559744 /nfs/dbraw/zinc/55/97/44/607559744.db2.gz SZXXENJOZIDSRW-CQSZACIVSA-N -2 3 399.476 2.397 20 0 GEADHL COc1ccccc1[C@@H](CNC(=O)c1nnc2ccccc2c1[O-])NC(=O)[O-] ZINC000739964499 602588344 /nfs/dbraw/zinc/58/83/44/602588344.db2.gz ROTHMCPKTHZJGF-CQSZACIVSA-N -2 3 382.376 2.083 20 0 GEADHL O=C([O-])Nc1ccc(F)c([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c1 ZINC000740702793 602950955 /nfs/dbraw/zinc/95/09/55/602950955.db2.gz BBZLVZBIMNSJEF-UHFFFAOYSA-N -2 3 379.369 2.002 20 0 GEADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H]3[C@@H](C)OC(C)(C)N3C(=O)[O-])cc2)n1 ZINC000829893290 603695035 /nfs/dbraw/zinc/69/50/35/603695035.db2.gz FLOKLJQVNAKULP-IAQYHMDHSA-N -2 3 386.408 2.187 20 0 GEADHL CCC[C@H](NC(=O)[O-])C(=O)Nc1cc(I)ccc1[O-] ZINC000826759312 603886252 /nfs/dbraw/zinc/88/62/52/603886252.db2.gz YKJUDAXGAHHCOQ-QMMMGPOBSA-N -2 3 378.166 2.372 20 0 GEADHL C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c(C)o1 ZINC000831029510 604381882 /nfs/dbraw/zinc/38/18/82/604381882.db2.gz SQCGYGFJWKUOJX-HNNXBMFYSA-N -2 3 394.449 2.078 20 0 GEADHL CC(C)[C@H](NC(=O)[O-])C(=O)Nc1cc(I)ccc1[O-] ZINC000824134892 604411929 /nfs/dbraw/zinc/41/19/29/604411929.db2.gz BOLDFDDEVRVMAY-JTQLQIEISA-N -2 3 378.166 2.228 20 0 GEADHL Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H](Oc2ccc(F)cc2)C(=O)[O-])cc1F ZINC000547888587 604705056 /nfs/dbraw/zinc/70/50/56/604705056.db2.gz JQZNLIHXWSAPNW-CQSZACIVSA-N -2 3 389.351 2.223 20 0 GEADHL C[C@]1([N-]S(=O)(=O)c2ccc(Br)cn2)CCCC[C@@H]1C(=O)[O-] ZINC000833568341 604808247 /nfs/dbraw/zinc/80/82/47/604808247.db2.gz DBKVAFIQOMOUEB-MFKMUULPSA-N -2 3 377.260 2.156 20 0 GEADHL CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])C1 ZINC000833415945 605001715 /nfs/dbraw/zinc/00/17/15/605001715.db2.gz SKXRRSQJTKCJQK-GOEBONIOSA-N -2 3 388.464 2.346 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[O-])cc2)cc1CC(=O)[O-] ZINC000833734474 605042745 /nfs/dbraw/zinc/04/27/45/605042745.db2.gz GMTMAQVUJDWNHI-UHFFFAOYSA-N -3 3 380.378 2.213 20 0 GEADHL CC(C)N(CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(=O)OC(C)(C)C ZINC000833498767 605202196 /nfs/dbraw/zinc/20/21/96/605202196.db2.gz WDPMQCLPMKAENQ-UHFFFAOYSA-N -2 3 390.458 2.292 20 0 GEADHL COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C[C@@H](OC)C3)cc1C(=O)[O-] ZINC000783861617 605328555 /nfs/dbraw/zinc/32/85/55/605328555.db2.gz IRSQHTJQPAKROC-AWEZNQCLSA-N -2 3 377.418 2.308 20 0 GEADHL Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H]2CCN(C(=O)[O-])C2)s1 ZINC000833897166 605426477 /nfs/dbraw/zinc/42/64/77/605426477.db2.gz FQSBBEAYOGMFJB-QMMMGPOBSA-N -2 3 383.289 2.097 20 0 GEADHL O=C([O-])N1CCC([N-]S(=O)(=O)c2cc(F)ccc2Br)CC1 ZINC000831963341 605496480 /nfs/dbraw/zinc/49/64/80/605496480.db2.gz DGPUXAMAPPRGDW-UHFFFAOYSA-N -2 3 381.223 2.009 20 0 GEADHL C[C@@H]1CN(C(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)C[C@@H]1C(=O)[O-] ZINC000833617867 605718459 /nfs/dbraw/zinc/71/84/59/605718459.db2.gz ICHKPLLZQHDDBF-MDASCCDHSA-N -2 3 396.443 2.433 20 0 GEADHL O=C([O-])Cc1cc(=O)n(-c2ccc(C(=O)Nc3ccc([O-])c(Cl)c3)cc2)[n-]1 ZINC000833775729 605764950 /nfs/dbraw/zinc/76/49/50/605764950.db2.gz LTFFSMFLJNHQIH-UHFFFAOYSA-N -3 3 387.779 2.404 20 0 GEADHL CSCC[C@H](NC(=O)[O-])C(=O)NCc1ccc([O-])c(Br)c1 ZINC000829729171 605881690 /nfs/dbraw/zinc/88/16/90/605881690.db2.gz CRUGHWTYSFMKHI-JTQLQIEISA-N -2 3 377.260 2.160 20 0 GEADHL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nnn[n-]3)c2)o1 ZINC000821342788 606331117 /nfs/dbraw/zinc/33/11/17/606331117.db2.gz HFDFLKNQHUAWHW-UHFFFAOYSA-N -2 3 397.800 2.091 20 0 GEADHL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(-c3nn[n-]n3)c2)o1 ZINC000821342788 606331119 /nfs/dbraw/zinc/33/11/19/606331119.db2.gz HFDFLKNQHUAWHW-UHFFFAOYSA-N -2 3 397.800 2.091 20 0 GEADHL O=S(=O)([N-]c1cc(-c2nn[n-]n2)ccc1O)c1ccccc1Br ZINC000823583539 606338028 /nfs/dbraw/zinc/33/80/28/606338028.db2.gz SPSHMQGEDQGPFC-UHFFFAOYSA-N -2 3 396.226 2.136 20 0 GEADHL Cc1nc2cc([N-]S(=O)(=O)c3ccc(-c4nnn[n-]4)cc3F)ccc2n1C ZINC000822458987 606359230 /nfs/dbraw/zinc/35/92/30/606359230.db2.gz LYCVJGFQZBWXEB-UHFFFAOYSA-N -2 3 387.400 2.002 20 0 GEADHL Cc1nc2cc([N-]S(=O)(=O)c3ccc(-c4nn[n-]n4)cc3F)ccc2n1C ZINC000822458987 606359232 /nfs/dbraw/zinc/35/92/32/606359232.db2.gz LYCVJGFQZBWXEB-UHFFFAOYSA-N -2 3 387.400 2.002 20 0 GEADHL O=C([N-]S(=O)(=O)c1ccc2ccccc2c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823284125 606460379 /nfs/dbraw/zinc/46/03/79/606460379.db2.gz DCRDEWMEMBXKCD-UHFFFAOYSA-N -2 3 385.430 2.200 20 0 GEADHL O=C([N-]S(=O)(=O)c1ccc2ccccc2c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823284125 606460380 /nfs/dbraw/zinc/46/03/80/606460380.db2.gz DCRDEWMEMBXKCD-UHFFFAOYSA-N -2 3 385.430 2.200 20 0 GEADHL Cc1ccc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nnn[n-]2)cc1C ZINC000822267014 606608700 /nfs/dbraw/zinc/60/87/00/606608700.db2.gz LZRPZDSOCYVGAL-UHFFFAOYSA-N -2 3 375.458 2.236 20 0 GEADHL CCn1nc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1C1CC1 ZINC000821568062 606624726 /nfs/dbraw/zinc/62/47/26/606624726.db2.gz FQVVPLQNYFSNHB-UHFFFAOYSA-N -2 3 393.860 2.415 20 0 GEADHL CCn1nc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1C1CC1 ZINC000821568062 606624728 /nfs/dbraw/zinc/62/47/28/606624728.db2.gz FQVVPLQNYFSNHB-UHFFFAOYSA-N -2 3 393.860 2.415 20 0 GEADHL CC(C)(C)n1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)c2cccc3cnccc32)n1 ZINC000819971094 606706924 /nfs/dbraw/zinc/70/69/24/606706924.db2.gz CYNDVFAJVQLGNZ-UHFFFAOYSA-N -2 3 398.452 2.167 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nnn[n-]2)c(C)s1 ZINC000822211703 606707984 /nfs/dbraw/zinc/70/79/84/606707984.db2.gz LNXHYCCVHILNNB-UHFFFAOYSA-N -2 3 381.487 2.297 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2nn(C(C)(C)C)cc2-c2nnn[n-]2)cc(C)c1F ZINC000822211511 606707997 /nfs/dbraw/zinc/70/79/97/606707997.db2.gz BTPFORRYLLTPCI-UHFFFAOYSA-N -2 3 393.448 2.375 20 0 GEADHL CC(C)CC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC000820062820 606745766 /nfs/dbraw/zinc/74/57/66/606745766.db2.gz PFKUTSFDQMZZJM-UHFFFAOYSA-N -2 3 377.470 2.278 20 0 GEADHL CC(C)CC1(C(=O)[N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC000820062820 606745767 /nfs/dbraw/zinc/74/57/67/606745767.db2.gz PFKUTSFDQMZZJM-UHFFFAOYSA-N -2 3 377.470 2.278 20 0 GEADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000821589669 606751181 /nfs/dbraw/zinc/75/11/81/606751181.db2.gz YGOWJRSVBOSEKH-UHFFFAOYSA-N -2 3 380.380 2.012 20 0 GEADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000821589640 606751232 /nfs/dbraw/zinc/75/12/32/606751232.db2.gz WXRHKDMYUJSUNG-UHFFFAOYSA-N -2 3 380.380 2.012 20 0 GEADHL O=C([N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc2sccc2c1 ZINC000823284065 606759210 /nfs/dbraw/zinc/75/92/10/606759210.db2.gz BIBCXNKJKPINCG-UHFFFAOYSA-N -2 3 385.430 2.200 20 0 GEADHL O=C([N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc2sccc2c1 ZINC000823284065 606759212 /nfs/dbraw/zinc/75/92/12/606759212.db2.gz BIBCXNKJKPINCG-UHFFFAOYSA-N -2 3 385.430 2.200 20 0 GEADHL CC(C)(C)Cc1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2F)n[nH]1 ZINC000819914535 606778153 /nfs/dbraw/zinc/77/81/53/606778153.db2.gz VUHJJPPPUYERMK-UHFFFAOYSA-N -2 3 379.421 2.118 20 0 GEADHL CC(C)(C)Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2F)n[nH]1 ZINC000819914535 606778154 /nfs/dbraw/zinc/77/81/54/606778154.db2.gz VUHJJPPPUYERMK-UHFFFAOYSA-N -2 3 379.421 2.118 20 0 GEADHL CC(=O)c1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000819844367 606863538 /nfs/dbraw/zinc/86/35/38/606863538.db2.gz FHWGGHMIEIPRBA-UHFFFAOYSA-N -2 3 379.348 2.148 20 0 GEADHL CC(=O)c1cccc([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000819844367 606863540 /nfs/dbraw/zinc/86/35/40/606863540.db2.gz FHWGGHMIEIPRBA-UHFFFAOYSA-N -2 3 379.348 2.148 20 0 GEADHL CCc1ccc(O)c([N-]S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000821487133 606866030 /nfs/dbraw/zinc/86/60/30/606866030.db2.gz SBJLRBNQEVHGFC-UHFFFAOYSA-N -2 3 381.364 2.214 20 0 GEADHL CCc1ccc(O)c([N-]S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000821487133 606866032 /nfs/dbraw/zinc/86/60/32/606866032.db2.gz SBJLRBNQEVHGFC-UHFFFAOYSA-N -2 3 381.364 2.214 20 0 GEADHL O=S(=O)([N-]Cc1cccc(Cl)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823577818 606883596 /nfs/dbraw/zinc/88/35/96/606883596.db2.gz ABJFFRKPRLRANU-UHFFFAOYSA-N -2 3 385.783 2.277 20 0 GEADHL O=S(=O)([N-]CCc1ccccc1Cl)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823577829 606889739 /nfs/dbraw/zinc/88/97/39/606889739.db2.gz AKTKSKMJWBVNAD-UHFFFAOYSA-N -2 3 399.810 2.319 20 0 GEADHL O=S(=O)([N-][C@@H]1C[C@@H]1Cc1ccccc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823573757 606894911 /nfs/dbraw/zinc/89/49/11/606894911.db2.gz YQSDHUDSRCYZBE-XHDPSFHLSA-N -2 3 391.403 2.054 20 0 GEADHL COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)c(C)n1 ZINC000821837721 607111207 /nfs/dbraw/zinc/11/12/07/607111207.db2.gz GPQCMGYCZIVSON-UHFFFAOYSA-N -2 3 380.817 2.033 20 0 GEADHL O=C([N-]S(=O)(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000826450260 607922788 /nfs/dbraw/zinc/92/27/88/607922788.db2.gz DJIYENCFFZMCEV-GZBFAFLISA-N -2 3 389.481 2.278 20 0 GEADHL O=C([N-]S(=O)(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000826450260 607922789 /nfs/dbraw/zinc/92/27/89/607922789.db2.gz DJIYENCFFZMCEV-GZBFAFLISA-N -2 3 389.481 2.278 20 0 GEADHL O=C([N-]c1nc(-c2cccnc2)ns1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000826460199 607929736 /nfs/dbraw/zinc/92/97/36/607929736.db2.gz RATUZNSUUNQBHR-UHFFFAOYSA-N -2 3 385.800 2.081 20 0 GEADHL O=S(=O)([N-]c1n[nH]cc1-c1nnn[n-]1)c1cc2cc(Cl)ccc2s1 ZINC000826492376 608307736 /nfs/dbraw/zinc/30/77/36/608307736.db2.gz HRANOTDSRDMAGE-UHFFFAOYSA-N -2 3 381.830 2.259 20 0 GEADHL Cn1cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)c(-c2ccccc2)n1 ZINC000826362373 608309127 /nfs/dbraw/zinc/30/91/27/608309127.db2.gz PMPZNOJXFBVOAR-UHFFFAOYSA-N -2 3 381.421 2.068 20 0 GEADHL Cn1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)c(-c2ccccc2)n1 ZINC000826362373 608309129 /nfs/dbraw/zinc/30/91/29/608309129.db2.gz PMPZNOJXFBVOAR-UHFFFAOYSA-N -2 3 381.421 2.068 20 0 GEADHL CC(C)c1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824216377 608493625 /nfs/dbraw/zinc/49/36/25/608493625.db2.gz QQUUQKVJKGINMB-INIZCTEOSA-N -2 3 389.419 2.480 20 0 GEADHL CC(C)c1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824216377 608493626 /nfs/dbraw/zinc/49/36/26/608493626.db2.gz QQUUQKVJKGINMB-INIZCTEOSA-N -2 3 389.419 2.480 20 0 GEADHL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)cc1C ZINC000825082636 608582103 /nfs/dbraw/zinc/58/21/03/608582103.db2.gz UDODTHKYNWDWRM-LLVKDONJSA-N -2 3 375.458 2.452 20 0 GEADHL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1C ZINC000825082636 608582105 /nfs/dbraw/zinc/58/21/05/608582105.db2.gz UDODTHKYNWDWRM-LLVKDONJSA-N -2 3 375.458 2.452 20 0 GEADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nnn[n-]2)CC(C)(C)C1 ZINC000824867985 609138522 /nfs/dbraw/zinc/13/85/22/609138522.db2.gz RVCANNSAAFFFEF-TZMCWYRMSA-N -2 3 391.497 2.275 20 0 GEADHL C[C@@H]1C[C@@H](C(=O)[N-]S(=O)(=O)Cc2ccccc2-c2nn[n-]n2)CC(C)(C)C1 ZINC000824867985 609138525 /nfs/dbraw/zinc/13/85/25/609138525.db2.gz RVCANNSAAFFFEF-TZMCWYRMSA-N -2 3 391.497 2.275 20 0 GEADHL Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)[N-]C(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC000826279429 609147892 /nfs/dbraw/zinc/14/78/92/609147892.db2.gz POEKHYCEMCLGSG-QWRGUYRKSA-N -2 3 377.470 2.052 20 0 GEADHL Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)[N-]C(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC000826279429 609147894 /nfs/dbraw/zinc/14/78/94/609147894.db2.gz POEKHYCEMCLGSG-QWRGUYRKSA-N -2 3 377.470 2.052 20 0 GEADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc2c1OCCO2 ZINC000826492653 609338764 /nfs/dbraw/zinc/33/87/64/609338764.db2.gz WTWIROBGSYLTID-UHFFFAOYSA-N -2 3 393.812 2.092 20 0 GEADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc2c1OCCO2 ZINC000826492653 609338766 /nfs/dbraw/zinc/33/87/66/609338766.db2.gz WTWIROBGSYLTID-UHFFFAOYSA-N -2 3 393.812 2.092 20 0 GEADHL O=C([N-]S(=O)(=O)CC1CC1)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826449636 609386914 /nfs/dbraw/zinc/38/69/14/609386914.db2.gz BZQNAWAFUQRTKP-UHFFFAOYSA-N -2 3 399.432 2.129 20 0 GEADHL O=C([N-]S(=O)(=O)CC1CC1)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826449636 609386917 /nfs/dbraw/zinc/38/69/17/609386917.db2.gz BZQNAWAFUQRTKP-UHFFFAOYSA-N -2 3 399.432 2.129 20 0 GEADHL COc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)c1O ZINC000826217581 609423244 /nfs/dbraw/zinc/42/32/44/609423244.db2.gz TWZGWLCKBBSMDI-UHFFFAOYSA-N -2 3 381.801 2.035 20 0 GEADHL COc1cccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)c1O ZINC000826217581 609423247 /nfs/dbraw/zinc/42/32/47/609423247.db2.gz TWZGWLCKBBSMDI-UHFFFAOYSA-N -2 3 381.801 2.035 20 0 GEADHL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1C ZINC000826334465 609467481 /nfs/dbraw/zinc/46/74/81/609467481.db2.gz VZMSZBMPNQATRB-UHFFFAOYSA-N -2 3 389.485 2.445 20 0 GEADHL Cn1c2cc([O-])c(NC(=O)c3ccc(Br)c([O-])c3)cc2n(C)c1=O ZINC000461630001 650457474 /nfs/dbraw/zinc/45/74/74/650457474.db2.gz HUZMTQISQSCPLC-UHFFFAOYSA-N -2 3 392.209 2.303 20 0 GEADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Br)cc2O)c1 ZINC000530957329 650731673 /nfs/dbraw/zinc/73/16/73/650731673.db2.gz JVNFHGOABYFYOL-UHFFFAOYSA-N -3 3 388.195 2.359 20 0 GEADHL O=C([O-])c1csc(C[N-]S(=O)(=O)c2ccccc2Br)n1 ZINC000097658135 643097616 /nfs/dbraw/zinc/09/76/16/643097616.db2.gz CBLIZMDJWQSWNQ-UHFFFAOYSA-N -2 3 377.241 2.082 20 0 GEADHL Cc1nc(C[N-]S(=O)(=O)c2ccccc2Br)sc1C(=O)[O-] ZINC000110788993 643319826 /nfs/dbraw/zinc/31/98/26/643319826.db2.gz JMKRXEXPLXAFSB-UHFFFAOYSA-N -2 3 391.268 2.391 20 0 GEADHL C[N-]S(=O)(=O)c1ccc(C(=O)[N-]c2nc(-c3ccc(F)cc3)ns2)o1 ZINC000112687154 643368647 /nfs/dbraw/zinc/36/86/47/643368647.db2.gz DZMQTBGFZCXZMI-UHFFFAOYSA-N -2 3 382.398 2.098 20 0 GEADHL COc1cc(C)[n-]c(=N[N-]S(=O)(=O)c2ccc(F)cc2Br)n1 ZINC000176720582 644404847 /nfs/dbraw/zinc/40/48/47/644404847.db2.gz WMTSPFYYRCUOBJ-UHFFFAOYSA-N -2 3 391.222 2.001 20 0 GEADHL Cc1ncc(C[N-]S(=O)(=O)c2cc(F)c(Br)cc2F)c(=O)[n-]1 ZINC000544103228 650933859 /nfs/dbraw/zinc/93/38/59/650933859.db2.gz JTXKFQQJHMOPCO-UHFFFAOYSA-N -2 3 394.197 2.010 20 0 GEADHL N#Cc1ccc(C(=O)N[N-]C(=O)c2cc(F)ccc2Br)cc1[O-] ZINC000188253561 645110974 /nfs/dbraw/zinc/11/09/74/645110974.db2.gz BCINVCLZZJRFHY-UHFFFAOYSA-N -2 3 378.157 2.240 20 0 GEADHL Cc1cc(S(=O)(=O)[N-][N-]C(=O)NCc2ccccc2)ccc1Br ZINC000189132647 645133717 /nfs/dbraw/zinc/13/37/17/645133717.db2.gz VHZUAIAQMHQGLT-UHFFFAOYSA-N -2 3 398.282 2.450 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCc2ccc(F)c(F)c2)c(F)cc1F ZINC000189307727 645135770 /nfs/dbraw/zinc/13/57/70/645135770.db2.gz QSKHNWUNIZFTHW-UHFFFAOYSA-N -2 3 377.315 2.462 20 0 GEADHL COc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-] ZINC000262499222 645634487 /nfs/dbraw/zinc/63/44/87/645634487.db2.gz YWFAMGOCVCNCQF-JTQLQIEISA-N -2 3 398.250 2.374 20 0 GEADHL O=C([O-])[C@H](Cc1c[nH]c2ncccc12)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000547545999 651030539 /nfs/dbraw/zinc/03/05/39/651030539.db2.gz WNUIRJHENKIOKU-JTQLQIEISA-N -2 3 385.854 2.252 20 0 GEADHL Cc1cnn(C[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)C(=O)[O-])c1 ZINC000547556506 651031880 /nfs/dbraw/zinc/03/18/80/651031880.db2.gz VJSCYGUZRSCPQS-LLVKDONJSA-N -2 3 392.264 2.238 20 0 GEADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCC[C@H](C)C(=O)[O-] ZINC000547564659 651033247 /nfs/dbraw/zinc/03/32/47/651033247.db2.gz FXELGCTVUNPWOQ-JTQLQIEISA-N -2 3 385.463 2.467 20 0 GEADHL CC(C)(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Br)cn1)CC(=O)[O-] ZINC000547576999 651034154 /nfs/dbraw/zinc/03/41/54/651034154.db2.gz ZNMYHULUWPILNJ-SECBINFHSA-N -2 3 379.276 2.259 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cc(C)cc(C)c2)s1 ZINC000547614885 651039399 /nfs/dbraw/zinc/03/93/99/651039399.db2.gz QFHFSRUNJWJIRY-AWEZNQCLSA-N -2 3 383.447 2.256 20 0 GEADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccc(Br)cn1)c1ccccc1 ZINC000547616862 651039440 /nfs/dbraw/zinc/03/94/40/651039440.db2.gz JTOVYSPYHMUUID-GFCCVEGCSA-N -2 3 399.266 2.381 20 0 GEADHL Cc1ncc(S(=O)(=O)[N-][C@H](Cc2c[nH]c3cc(F)ccc23)C(=O)[O-])s1 ZINC000547869694 651049009 /nfs/dbraw/zinc/04/90/09/651049009.db2.gz NKHHOERQDBHHQG-CYBMUJFWSA-N -2 3 383.426 2.046 20 0 GEADHL COc1cc([N-]S(=O)(=O)CCOC(C)C)c(C(=O)[O-])cc1OC(F)F ZINC000266699491 645859877 /nfs/dbraw/zinc/85/98/77/645859877.db2.gz CMPYFBKGZKRTKN-UHFFFAOYSA-N -2 3 383.369 2.162 20 0 GEADHL Cc1cc(S(=O)(=O)[N-][C@H](CC(=O)c2cccs2)C(=O)[O-])c(F)cc1F ZINC000547891619 651051896 /nfs/dbraw/zinc/05/18/96/651051896.db2.gz UUJSPXMUBMUKIZ-LLVKDONJSA-N -2 3 389.401 2.339 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])c2ccccc2)s1 ZINC000547935633 651056780 /nfs/dbraw/zinc/05/67/80/651056780.db2.gz LIHCKTMLGYTXPT-GFCCVEGCSA-N -2 3 383.447 2.072 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H]2C=C[C@@H](C(=O)[O-])C2)c(Cl)cc1Cl ZINC000274934525 646335281 /nfs/dbraw/zinc/33/52/81/646335281.db2.gz CYKJVUFVRVNVCC-SFYZADRCSA-N -2 3 394.232 2.088 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCOCC2CCCC2)c(Br)o1 ZINC000313224569 647282866 /nfs/dbraw/zinc/28/28/66/647282866.db2.gz VDKOZVJZXFOGFZ-UHFFFAOYSA-N -2 3 396.259 2.225 20 0 GEADHL CC(C)(C)OC[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000389247125 647890536 /nfs/dbraw/zinc/89/05/36/647890536.db2.gz ARCHUGMKNFUVMK-JTQLQIEISA-N -2 3 398.250 2.135 20 0 GEADHL O=C(Nc1ccncc1[O-])c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000409451837 647962488 /nfs/dbraw/zinc/96/24/88/647962488.db2.gz JYCSGMRNUUCFGE-UHFFFAOYSA-N -2 3 375.431 2.324 20 0 GEADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-] ZINC000424392966 648626614 /nfs/dbraw/zinc/62/66/14/648626614.db2.gz QMSUMHUYTSWQLL-UHFFFAOYSA-N -2 3 385.463 2.467 20 0 GEADHL CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)on1 ZINC000426198259 648708227 /nfs/dbraw/zinc/70/82/27/648708227.db2.gz ZTZJNCBKQJAATK-UHFFFAOYSA-N -2 3 391.446 2.284 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@]2(CC(=O)[O-])CC[C@@H](C)C2)s1 ZINC000548227039 651069147 /nfs/dbraw/zinc/06/91/47/651069147.db2.gz ICSUWLIFOVZZNZ-BMIGLBTASA-N -2 3 375.468 2.094 20 0 GEADHL CCC[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000548240948 651071397 /nfs/dbraw/zinc/07/13/97/651071397.db2.gz QBQRRBAXHGCNFW-KOLCDFICSA-N -2 3 389.779 2.251 20 0 GEADHL CCC[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000548240947 651071463 /nfs/dbraw/zinc/07/14/63/651071463.db2.gz QBQRRBAXHGCNFW-GXSJLCMTSA-N -2 3 389.779 2.251 20 0 GEADHL COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccccc2F)s1 ZINC000548243871 651071912 /nfs/dbraw/zinc/07/19/12/651071912.db2.gz YQEZSTFMYQFKAF-LLVKDONJSA-N -2 3 387.410 2.168 20 0 GEADHL COc1cccc([C@@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2F)C(=O)[O-])c1 ZINC000548539230 651079616 /nfs/dbraw/zinc/07/96/16/651079616.db2.gz UBOHVCDXPFIJIF-CQSZACIVSA-N -2 3 375.324 2.217 20 0 GEADHL O=C([O-])[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000548556708 651080132 /nfs/dbraw/zinc/08/01/32/651080132.db2.gz OWKAMQUILFJWFS-LLVKDONJSA-N -2 3 392.202 2.155 20 0 GEADHL COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H](C)CCC[C@@H](C)C(=O)[O-] ZINC000548590808 651081271 /nfs/dbraw/zinc/08/12/71/651081271.db2.gz ZHPDXIKNIFFQOF-GHMZBOCLSA-N -2 3 375.418 2.170 20 0 GEADHL COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CC[C@@H](C)CC(=O)[O-] ZINC000548592950 651081331 /nfs/dbraw/zinc/08/13/31/651081331.db2.gz GKVCHDPULAJNCM-SNVBAGLBSA-N -2 3 385.463 2.467 20 0 GEADHL Cc1oc(S(=O)(=O)[N-]CCc2ccc(OC(F)F)cc2)cc1C(=O)[O-] ZINC000563075780 651507777 /nfs/dbraw/zinc/50/77/77/651507777.db2.gz RDRMGIBOPYPSPU-UHFFFAOYSA-N -2 3 375.349 2.409 20 0 GEADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(N)=O)c(Cl)cc1Cl ZINC000563734783 651541270 /nfs/dbraw/zinc/54/12/70/651541270.db2.gz SMDMYUBWPCQMIG-UHFFFAOYSA-N -2 3 393.204 2.493 20 0 GEADHL C[C@@H]([N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1ncc(C(=O)[O-])s1 ZINC000565658002 651596457 /nfs/dbraw/zinc/59/64/57/651596457.db2.gz HWQLLXBBCUFURT-ZCFIWIBFSA-N -2 3 381.357 2.295 20 0 GEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]CC[C@@H]1CSc2ccccc2O1 ZINC000646057951 651676995 /nfs/dbraw/zinc/67/69/95/651676995.db2.gz UGIZPIIMNBSWJR-SECBINFHSA-N -2 3 386.476 2.063 20 0 GEADHL O=C([O-])C1([N-]S(=O)(=O)c2csc(-c3ccccc3)n2)CCSCC1 ZINC000569966467 651737253 /nfs/dbraw/zinc/73/72/53/651737253.db2.gz BLQSYYTXYYTSBK-UHFFFAOYSA-N -2 3 384.504 2.439 20 0 GEADHL O=C([O-])[C@H](Cc1ccncc1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000647928942 651766367 /nfs/dbraw/zinc/76/63/67/651766367.db2.gz YZBKMSATBKUNSH-LBPRGKRZSA-N -2 3 375.233 2.363 20 0 GEADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000570490077 651770543 /nfs/dbraw/zinc/77/05/43/651770543.db2.gz CKQPYZHJICQMHQ-UHFFFAOYSA-N -2 3 394.236 2.221 20 0 GEADHL CS(=O)(=O)[N-]c1cc(F)ccc1[N-]S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000573425767 651955163 /nfs/dbraw/zinc/95/51/63/651955163.db2.gz FRIDBQDFUSJMGV-XJKSGUPXSA-N -2 3 384.454 2.495 20 0 GEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c[n-]1 ZINC000618906818 652037996 /nfs/dbraw/zinc/03/79/96/652037996.db2.gz YJOPJVVMBVXFCX-UHFFFAOYSA-N -2 3 379.316 2.286 20 0 GEADHL CCO[C@@H]1C[C@@]([N-]S(=O)(=O)c2ccc(C)c(F)c2F)(C(=O)[O-])C1(C)C ZINC000629300999 652485948 /nfs/dbraw/zinc/48/59/48/652485948.db2.gz WTKRLYDGLWQQCJ-BDJLRTHQSA-N -2 3 377.409 2.210 20 0 GEADHL CCO[C@H]1C[C@@]([N-]S(=O)(=O)c2ccc(C)c(F)c2F)(C(=O)[O-])C1(C)C ZINC000629301001 652485969 /nfs/dbraw/zinc/48/59/69/652485969.db2.gz WTKRLYDGLWQQCJ-MEDUHNTESA-N -2 3 377.409 2.210 20 0 GEADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)c[n-]1 ZINC000585730496 652534904 /nfs/dbraw/zinc/53/49/04/652534904.db2.gz VNOLFPJQASXTRX-MRVPVSSYSA-N -2 3 385.829 2.364 20 0 GEADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2F)cc(C(=O)[O-])c1Cl ZINC000759102016 652563121 /nfs/dbraw/zinc/56/31/21/652563121.db2.gz MWILFZHRJLFNMG-UHFFFAOYSA-N -2 3 386.788 2.385 20 0 GEADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)c(Cl)cc1Cl ZINC000760100332 652595105 /nfs/dbraw/zinc/59/51/05/652595105.db2.gz RDGIQXSLSUTKQM-LLVKDONJSA-N -2 3 384.237 2.168 20 0 GEADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)c1 ZINC000761950657 652663437 /nfs/dbraw/zinc/66/34/37/652663437.db2.gz JKZZBQLFDKTIBT-UHFFFAOYSA-N -2 3 393.849 2.355 20 0 GEADHL COc1c(F)cc(Br)cc1S(=O)(=O)[N-][C@H](CC1CC1)C(=O)[O-] ZINC000806640776 653172073 /nfs/dbraw/zinc/17/20/73/653172073.db2.gz WNLDEYTWPAHHPL-SNVBAGLBSA-N -2 3 396.234 2.128 20 0 GEADHL COc1cccc(C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)C(=O)[O-])c1 ZINC000681560611 653185168 /nfs/dbraw/zinc/18/51/68/653185168.db2.gz IPGJMFJKDSVQSM-LLVKDONJSA-N -2 3 375.855 2.384 20 0 GEADHL O=S(=O)([N-]c1cccc([O-])c1Br)c1cnn([C@@H]2CCOC2)c1 ZINC000641693939 653230740 /nfs/dbraw/zinc/23/07/40/653230740.db2.gz ZFVAFNSLAYZGIR-SECBINFHSA-N -2 3 388.243 2.113 20 0 GEADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Cl)nc1Cl)Cc1cccnc1 ZINC000776543783 653356342 /nfs/dbraw/zinc/35/63/42/653356342.db2.gz CJEWAEZMEICHNB-JTQLQIEISA-N -2 3 390.248 2.005 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)[C@H](O)c1ccccc1 ZINC000776602269 653363749 /nfs/dbraw/zinc/36/37/49/653363749.db2.gz NKYOGXJIFKWQTP-ZIAGYGMSSA-N -2 3 390.244 2.459 20 0 GEADHL CC[C@@](C)(C[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC)C(=O)[O-] ZINC000776628337 653366661 /nfs/dbraw/zinc/36/66/61/653366661.db2.gz PEQBLLCFBXWOBB-ZDUSSCGKSA-N -2 3 398.250 2.376 20 0 GEADHL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000837287089 653418594 /nfs/dbraw/zinc/41/85/94/653418594.db2.gz AIVYYBBUDBSPPY-VIFPVBQESA-N -2 3 385.667 2.275 20 0 GEADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cnc(Cl)c(Br)c2)CCCC1 ZINC000837287991 653419138 /nfs/dbraw/zinc/41/91/38/653419138.db2.gz KUWUSBQJINOOKS-UHFFFAOYSA-N -2 3 397.678 2.421 20 0 GEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)C1CCC1 ZINC000837288667 653419761 /nfs/dbraw/zinc/41/97/61/653419761.db2.gz OZJSBWOMXONQCA-SECBINFHSA-N -2 3 383.651 2.029 20 0 GEADHL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000837289201 653420074 /nfs/dbraw/zinc/42/00/74/653420074.db2.gz WLNRSJOEXMBVHX-DTWKUNHWSA-N -2 3 375.834 2.434 20 0 GEADHL COC1(C[N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)CCCC1 ZINC000840891570 653698124 /nfs/dbraw/zinc/69/81/24/653698124.db2.gz QQCSUSDJDPLXPM-UHFFFAOYSA-N -2 3 398.300 2.446 20 0 GEADHL O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)c1cc(=O)c3cc(Br)ccc3[n-]1)C2 ZINC000864210214 653728787 /nfs/dbraw/zinc/72/87/87/653728787.db2.gz KERJEYNJKGJVAX-KFRHNXRJSA-N -2 3 391.221 2.274 20 0 GEADHL CO[C@H](CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl)C(F)(F)F ZINC000787249280 653735995 /nfs/dbraw/zinc/73/59/95/653735995.db2.gz CHNSVQACXVRJOM-SNVBAGLBSA-N -2 3 393.742 2.423 20 0 GEADHL O=C([O-])[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC2=O ZINC000844785048 653817856 /nfs/dbraw/zinc/81/78/56/653817856.db2.gz FPWGUIPQCMTUMC-VIFPVBQESA-N -2 3 385.747 2.153 20 0 GEADHL COCCC1(C[N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)CC1 ZINC000844897534 653826579 /nfs/dbraw/zinc/82/65/79/653826579.db2.gz SDOMLOYMMLCJJZ-UHFFFAOYSA-N -2 3 398.300 2.304 20 0 GEADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCOC3(CCCC3)C2)c(F)cc1F ZINC000844898097 653827138 /nfs/dbraw/zinc/82/71/38/653827138.db2.gz HYHKQPCIMGGLTD-SNVBAGLBSA-N -2 3 375.393 2.433 20 0 GEADHL O=S(=O)([N-]c1n[nH]c2ccccc12)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823589383 653873368 /nfs/dbraw/zinc/87/33/68/653873368.db2.gz XGWJMLUVZNHODP-UHFFFAOYSA-N -2 3 375.801 2.197 20 0 GEADHL O=S(=O)([N-]c1n[nH]c2ccccc12)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000823589383 653873372 /nfs/dbraw/zinc/87/33/72/653873372.db2.gz XGWJMLUVZNHODP-UHFFFAOYSA-N -2 3 375.801 2.197 20 0 GEADHL O=S(=O)([N-]c1cccc([O-])c1F)c1ccccc1S(=O)(=O)C(F)F ZINC000794593026 653913038 /nfs/dbraw/zinc/91/30/38/653913038.db2.gz PGUWFNNMNBXRIM-UHFFFAOYSA-N -2 3 381.353 2.328 20 0 GEADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1ccccc1S(=O)(=O)C(F)F ZINC000794592031 653913065 /nfs/dbraw/zinc/91/30/65/653913065.db2.gz IOMMCIZFMXZHCP-UHFFFAOYSA-N -2 3 381.353 2.328 20 0 GEADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cnc1Br ZINC000826271514 653949023 /nfs/dbraw/zinc/94/90/23/653949023.db2.gz VJLQEYIELSTZDM-UHFFFAOYSA-N -2 3 395.242 2.133 20 0 GEADHL O=C([O-])C[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000899948695 654040532 /nfs/dbraw/zinc/04/05/32/654040532.db2.gz FPKVOLPZUJWOKH-LDYMZIIASA-N -2 3 385.335 2.003 20 0 GEADHL O=C([O-])C[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000899951362 654041798 /nfs/dbraw/zinc/04/17/98/654041798.db2.gz WDINZSRBECXWDF-KWQFWETISA-N -2 3 385.335 2.003 20 0 GEADHL O=S(=O)(CC1Cc2ccccc2C1)[N-]N=c1c(F)c(F)[n-]c(F)c1F ZINC000901586653 654132423 /nfs/dbraw/zinc/13/24/23/654132423.db2.gz KMTLKGMIMGCLAO-UHFFFAOYSA-N -2 3 375.347 2.299 20 0 GEADHL C[C@H]1CN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC[C@H]1C(=O)[O-] ZINC000902170376 654166753 /nfs/dbraw/zinc/16/67/53/654166753.db2.gz TWGAYDUMTXIWAC-GXSJLCMTSA-N -2 3 393.237 2.473 20 0 GEADHL COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccsc2)c1 ZINC000920315121 654210218 /nfs/dbraw/zinc/21/02/18/654210218.db2.gz IQCIVTWHUJKXIN-LBPRGKRZSA-N -2 3 387.410 2.168 20 0 GEADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-][C@@H]2CCN(C3CC3)C2)c1 ZINC000871831158 654267157 /nfs/dbraw/zinc/26/71/57/654267157.db2.gz JDQXIKPRXJUMPH-SECBINFHSA-N -2 3 379.265 2.207 20 0 GEADHL CO[C@H](C[N-]S(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1)C(F)(F)F ZINC000871872096 654271451 /nfs/dbraw/zinc/27/14/51/654271451.db2.gz VPUBZASZJOYEBS-MRVPVSSYSA-N -2 3 379.715 2.033 20 0 GEADHL CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2Br)C1 ZINC000871982863 654300364 /nfs/dbraw/zinc/30/03/64/654300364.db2.gz GOKUBCUNWCPAIJ-LJGSYFOKSA-N -2 3 384.273 2.055 20 0 GEADHL