smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])C[C@@H](NC(=O)c1cc([O-])ccc1Cl)C(F)(F)F ZINC000698798716 782259153 /nfs/dbraw/zinc/25/91/53/782259153.db2.gz OICCLZBCSXFYPK-MRVPVSSYSA-N -2 3 311.643 2.181 20 0 DEADHL Cc1ccc(N)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1C ZINC001211623010 777594246 /nfs/dbraw/zinc/59/42/46/777594246.db2.gz UGHWLWDRLTWPLB-UHFFFAOYSA-N -2 3 320.370 2.385 20 0 DEADHL Cc1cccc2ccn(CC(=O)NCCCCP(=O)([O-])[O-])c21 ZINC001184196007 796017462 /nfs/dbraw/zinc/01/74/62/796017462.db2.gz ZLGWZTDBDTZCQD-UHFFFAOYSA-N -2 3 324.317 2.024 20 0 DEADHL CCOCCS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1[O-] ZINC001187283958 796513746 /nfs/dbraw/zinc/51/37/46/796513746.db2.gz SGEKADDMYBRGOO-UHFFFAOYSA-N -2 3 313.297 2.189 20 0 DEADHL O=C(NCCCCP(=O)([O-])[O-])c1ccccc1C(F)F ZINC001188283810 796654264 /nfs/dbraw/zinc/65/42/64/796654264.db2.gz NGKZTIHBVOLOMG-UHFFFAOYSA-N -2 3 307.233 2.312 20 0 DEADHL O=C(N=c1[n-]cnn2cccc12)c1c([O-])ccc2ccccc21 ZINC001153498977 797345764 /nfs/dbraw/zinc/34/57/64/797345764.db2.gz KGEOVXZVNZGZHL-UHFFFAOYSA-N -2 3 304.309 2.262 20 0 DEADHL Cc1ccc([O-])c([N-]S(=O)(=O)Cc2noc3ccccc32)n1 ZINC001194051948 797670642 /nfs/dbraw/zinc/67/06/42/797670642.db2.gz QHLWFXNNKDJXDA-UHFFFAOYSA-N -2 3 319.342 2.179 20 0 DEADHL O=C(NCCCCP(=O)([O-])[O-])Nc1ccc(F)cc1F ZINC001202027535 798818910 /nfs/dbraw/zinc/81/89/10/798818910.db2.gz LZJWSWWOBHXXHT-UHFFFAOYSA-N -2 3 308.221 2.044 20 0 DEADHL Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2N)cc([O-])c1F ZINC001216082130 801934833 /nfs/dbraw/zinc/93/48/33/801934833.db2.gz DKUJQBWSTPPKRV-UHFFFAOYSA-N -2 3 314.313 2.362 20 0 DEADHL O=P([O-])([O-])CCO[C@H]1COc2c1cccc2Br ZINC001224601624 802884715 /nfs/dbraw/zinc/88/47/15/802884715.db2.gz IRZXFFYVFFLAOR-VIFPVBQESA-N -2 3 323.079 2.077 20 0 DEADHL [S-]c1[n-]c(OC[C@H]2Cc3ccccc3O2)nc2ncnc1-2 ZINC001226780794 803158398 /nfs/dbraw/zinc/15/83/98/803158398.db2.gz UYRWYZKAMZMYGA-SECBINFHSA-N -2 3 300.343 2.024 20 0 DEADHL CCOC(=O)[C@@H]1CCCC[C@H]1Oc1nc2ncnc-2c([S-])[n-]1 ZINC001226787191 803159826 /nfs/dbraw/zinc/15/98/26/803159826.db2.gz WBQFRRDDSQSECT-RKDXNWHRSA-N -2 3 322.390 2.142 20 0 DEADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C1CC1 ZINC000323746610 971035228 /nfs/dbraw/zinc/03/52/28/971035228.db2.gz RENAVQXLJKBZKM-SECBINFHSA-N -2 3 319.329 2.130 20 0 DEADHL CC[C@]1(C(=O)[O-])CCCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC001589592031 949098388 /nfs/dbraw/zinc/09/83/88/949098388.db2.gz MMQBATYEHCAZNN-INIZCTEOSA-N -2 3 309.337 2.177 20 0 DEADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]CC2CCC2)c1F ZINC000037180468 957264659 /nfs/dbraw/zinc/26/46/59/957264659.db2.gz AEMPQABETGJHOY-UHFFFAOYSA-N -2 3 321.757 2.256 20 0 DEADHL Cc1ccc(CSc2nc(NC(=O)[C@H](C)C(=O)[O-])n[n-]2)cc1 ZINC001594362801 958465526 /nfs/dbraw/zinc/46/55/26/958465526.db2.gz MXSBWJGPBGNAFZ-VIFPVBQESA-N -2 3 320.374 2.065 20 0 DEADHL C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000131021965 958741021 /nfs/dbraw/zinc/74/10/21/958741021.db2.gz BCYRNJYITLUQIW-SFYZADRCSA-N -2 3 319.329 2.130 20 0 DEADHL C=Cc1ccc(CC[N-]S(=O)(=O)c2occc2C(=O)[O-])cc1 ZINC001573385434 963123283 /nfs/dbraw/zinc/12/32/83/963123283.db2.gz ZZAJXTAZDGMUIA-UHFFFAOYSA-N -2 3 321.354 2.142 20 0 DEADHL Cc1ccc(C(=O)Nc2nnc(CCCC(=O)[O-])s2)c([O-])c1 ZINC000738520993 978551951 /nfs/dbraw/zinc/55/19/51/978551951.db2.gz SQXYXIMTTJBRFX-UHFFFAOYSA-N -2 3 321.358 2.212 20 0 DEADHL COc1ccccc1CO[N-]C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001599712701 991398523 /nfs/dbraw/zinc/39/85/23/991398523.db2.gz NCHZOXFFFUCKKP-VQHVLOKHSA-N -2 3 317.297 2.248 20 0 DEADHL CC1(C)CCC[C@@](NC(=O)c2cccc3n[n-]nc32)(C(=O)[O-])C1 ZINC001593893065 996745563 /nfs/dbraw/zinc/74/55/63/996745563.db2.gz XEEHLEDWKOLXHY-INIZCTEOSA-N -2 3 316.361 2.111 20 0 DEADHL COC(=O)c1ccc(C(=O)Nc2c(C)sc(C)c2C(=O)[O-])[n-]1 ZINC001598958819 998294127 /nfs/dbraw/zinc/29/41/27/998294127.db2.gz RYSFJNFPJCVGGO-UHFFFAOYSA-N -2 3 322.342 2.430 20 0 DEADHL CCc1ccc(C(=O)N[C@H](C(=O)[O-])c2cccc(O)c2)c([O-])c1 ZINC001605805266 1070923545 /nfs/dbraw/zinc/92/35/45/1070923545.db2.gz YKQRKYZUJNIVAV-HNNXBMFYSA-N -2 3 315.325 2.216 20 0 DEADHL CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(C(=O)[O-])c2ccccc12 ZINC001606666102 1071188044 /nfs/dbraw/zinc/18/80/44/1071188044.db2.gz FTBAUDDZHPXXFV-JTQLQIEISA-N -2 3 323.370 2.315 20 0 DEADHL O=C([O-])CC[C@@H]1CCCN(c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001606959979 1071254322 /nfs/dbraw/zinc/25/43/22/1071254322.db2.gz DWPWUDSTNVRIRP-JTQLQIEISA-N -2 3 319.340 2.087 20 0 DEADHL O=C([O-])CC[C@@H]1CCCN(c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC001606959979 1071254325 /nfs/dbraw/zinc/25/43/25/1071254325.db2.gz DWPWUDSTNVRIRP-JTQLQIEISA-N -2 3 319.340 2.087 20 0 DEADHL O=Cc1cc(C(=O)[O-])cc(-c2cccc(F)c2-c2nnn[n-]2)c1 ZINC001607056454 1071287081 /nfs/dbraw/zinc/28/70/81/1071287081.db2.gz RYDMRXAPNWNAOX-UHFFFAOYSA-N -2 3 312.260 2.184 20 0 DEADHL COc1ccccc1CO[N-]C(=O)Cc1cccc(C(=O)[O-])c1 ZINC001607345277 1071416197 /nfs/dbraw/zinc/41/61/97/1071416197.db2.gz WFHPUYLNQGKVRQ-UHFFFAOYSA-N -2 3 315.325 2.184 20 0 DEADHL CCOc1cc(C(=O)[N-]c2cc(C(C)=O)cc(F)c2[O-])on1 ZINC001635383375 1078449388 /nfs/dbraw/zinc/44/93/88/1078449388.db2.gz NSIXTQSAKMRPDF-UHFFFAOYSA-N -2 3 308.265 2.373 20 0 DEADHL CC(C)(C)c1ccc(-c2nnn[n-]2)c(NCCCCC(=O)[O-])n1 ZINC001589222665 1076480093 /nfs/dbraw/zinc/48/00/93/1076480093.db2.gz QEGMZLAYVAZGDN-UHFFFAOYSA-N -2 3 318.381 2.226 20 0 DEADHL CC(C)(C)c1ccc(-c2nn[n-]n2)c(NCCCCC(=O)[O-])n1 ZINC001589222665 1076480096 /nfs/dbraw/zinc/48/00/96/1076480096.db2.gz QEGMZLAYVAZGDN-UHFFFAOYSA-N -2 3 318.381 2.226 20 0 DEADHL CC(C)(C)n1cc(-c2ccc(C(=O)[O-])c(-c3nn[n-]n3)c2)cn1 ZINC001589249771 1076482160 /nfs/dbraw/zinc/48/21/60/1076482160.db2.gz ZSOJSQWJQQBZFP-UHFFFAOYSA-N -2 3 312.333 2.183 20 0 DEADHL CC[C@@H](CNc1cccc(C(F)F)c1-c1nnn[n-]1)C(=O)[O-] ZINC001590445781 1076628413 /nfs/dbraw/zinc/62/84/13/1076628413.db2.gz KOLRMUMBPBSADH-ZETCQYMHSA-N -2 3 311.292 2.327 20 0 DEADHL CC[C@@H](CNc1cccc(C(F)F)c1-c1nn[n-]n1)C(=O)[O-] ZINC001590445781 1076628416 /nfs/dbraw/zinc/62/84/16/1076628416.db2.gz KOLRMUMBPBSADH-ZETCQYMHSA-N -2 3 311.292 2.327 20 0 DEADHL Cc1nc(NC(C)(C)CCC(=O)[O-])c(Cl)cc1-c1nnn[n-]1 ZINC001592377716 1076905304 /nfs/dbraw/zinc/90/53/04/1076905304.db2.gz ZTZHXCLTOOTPMS-UHFFFAOYSA-N -2 3 324.772 2.279 20 0 DEADHL Cc1nc(NC(C)(C)CCC(=O)[O-])c(Cl)cc1-c1nn[n-]n1 ZINC001592377716 1076905307 /nfs/dbraw/zinc/90/53/07/1076905307.db2.gz ZTZHXCLTOOTPMS-UHFFFAOYSA-N -2 3 324.772 2.279 20 0 DEADHL O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1c([O-])cccc1F ZINC001593232759 1076983402 /nfs/dbraw/zinc/98/34/02/1076983402.db2.gz JULAWELGPIDSMW-UHFFFAOYSA-N -2 3 317.255 2.103 20 0 DEADHL O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1c([O-])cccc1F ZINC001593232759 1076983403 /nfs/dbraw/zinc/98/34/03/1076983403.db2.gz JULAWELGPIDSMW-UHFFFAOYSA-N -2 3 317.255 2.103 20 0 DEADHL O=C([O-])CCCNc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001593277759 1076989076 /nfs/dbraw/zinc/98/90/76/1076989076.db2.gz HCFRMIOFOYMCOZ-UHFFFAOYSA-N -2 3 315.255 2.162 20 0 DEADHL O=C([O-])CCCNc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001593277759 1076989081 /nfs/dbraw/zinc/98/90/81/1076989081.db2.gz HCFRMIOFOYMCOZ-UHFFFAOYSA-N -2 3 315.255 2.162 20 0 DEADHL Cc1cc([C@H](C)N2CCC(c3n[nH]c(=O)[n-]3)CC2)oc1C(=O)[O-] ZINC001600152324 1077148145 /nfs/dbraw/zinc/14/81/45/1077148145.db2.gz WKUKYTVOMLHZOS-VIFPVBQESA-N -2 3 320.349 2.051 20 0 DEADHL O=C([O-])[C@@H](CF)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001601420598 1077393584 /nfs/dbraw/zinc/39/35/84/1077393584.db2.gz XDIOIYQEYLAFCE-CYBMUJFWSA-N -2 3 319.288 2.337 20 0 DEADHL O=C([O-])[C@@H](CNC(=O)c1ccc(O)cc1[O-])C1CCCCCC1 ZINC001601453377 1077396792 /nfs/dbraw/zinc/39/67/92/1077396792.db2.gz SVVALCCSHULENH-AWEZNQCLSA-N -2 3 321.373 2.499 20 0 DEADHL O=C([O-])CCc1ccccc1C(=O)NCc1ccc([O-])c(F)c1 ZINC001602044977 1077498835 /nfs/dbraw/zinc/49/88/35/1077498835.db2.gz FKAOAPPPJLJRCS-UHFFFAOYSA-N -2 3 317.316 2.479 20 0 DEADHL Cc1nc([N-]C(=O)c2cc(C(=O)[O-])co2)nn1-c1ccccc1 ZINC001607964193 1077569280 /nfs/dbraw/zinc/56/92/80/1077569280.db2.gz YEOYECGKCUTBQH-UHFFFAOYSA-N -2 3 312.285 2.119 20 0 DEADHL COc1cccc(C=C(C)c2nc(C)c(-c3nn[n-]n3)c(=O)[n-]2)c1 ZINC001609360531 1077840110 /nfs/dbraw/zinc/84/01/10/1077840110.db2.gz AGKFJTHFRGOQRT-VQHVLOKHSA-N -2 3 324.344 2.240 20 0 DEADHL COc1cccc(C=C(C)c2nc(C)c(-c3nnn[n-]3)c(=O)[n-]2)c1 ZINC001609360531 1077840117 /nfs/dbraw/zinc/84/01/17/1077840117.db2.gz AGKFJTHFRGOQRT-VQHVLOKHSA-N -2 3 324.344 2.240 20 0 DEADHL CC(=O)c1cccc(NC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)c1[O-] ZINC001609629968 1077890798 /nfs/dbraw/zinc/89/07/98/1077890798.db2.gz CILBZHGAIYJHCM-UHFFFAOYSA-N -2 3 316.313 2.490 20 0 DEADHL C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1nn(C)cc1[O-] ZINC001412751762 1091777066 /nfs/dbraw/zinc/77/70/66/1091777066.db2.gz DMSFEUGUMSZQFB-JTQLQIEISA-N -2 3 321.352 2.171 20 0 DEADHL COC(=O)c1nc2nc(-c3cc(F)cc(C(=O)[O-])c3)ccc2[n-]1 ZINC001241835455 1139856805 /nfs/dbraw/zinc/85/68/05/1139856805.db2.gz QHPYQWKHNLKOST-UHFFFAOYSA-N -2 3 315.260 2.249 20 0 DEADHL COC(=O)c1nc2ccc(-c3cc(F)cc(C(=O)[O-])c3)[n-]c-2n1 ZINC001241835455 1139856806 /nfs/dbraw/zinc/85/68/06/1139856806.db2.gz QHPYQWKHNLKOST-UHFFFAOYSA-N -2 3 315.260 2.249 20 0 DEADHL Cc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1-c1nnn[n-]1 ZINC001242163591 1139881042 /nfs/dbraw/zinc/88/10/42/1139881042.db2.gz BECJCEIIMGOHDE-UHFFFAOYSA-N -3 3 324.296 2.239 20 0 DEADHL Cc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1-c1nn[n-]n1 ZINC001242163591 1139881043 /nfs/dbraw/zinc/88/10/43/1139881043.db2.gz BECJCEIIMGOHDE-UHFFFAOYSA-N -3 3 324.296 2.239 20 0 DEADHL O=C1[N-]S(=O)(=O)c2cccc(-c3ccc(F)cc3[O-])c2N1 ZINC001242218673 1139886503 /nfs/dbraw/zinc/88/65/03/1139886503.db2.gz KQVLZOSNZKUHMY-UHFFFAOYSA-N -2 3 308.290 2.022 20 0 DEADHL COc1ccc(C(=O)[O-])cc1-c1ccc(Cc2nnn[n-]2)cc1 ZINC001242391801 1139897529 /nfs/dbraw/zinc/89/75/29/1139897529.db2.gz DJBHYBQHWWKQHQ-UHFFFAOYSA-N -2 3 310.313 2.164 20 0 DEADHL COc1ccc(C(=O)[O-])cc1-c1ccc(Cc2nn[n-]n2)cc1 ZINC001242391801 1139897530 /nfs/dbraw/zinc/89/75/30/1139897530.db2.gz DJBHYBQHWWKQHQ-UHFFFAOYSA-N -2 3 310.313 2.164 20 0 DEADHL O=C([O-])CCc1ccc(-c2ccc(Cc3nnn[n-]3)cc2)cc1 ZINC001244190005 1140319680 /nfs/dbraw/zinc/31/96/80/1140319680.db2.gz BSBDIFSAQQJBTJ-UHFFFAOYSA-N -2 3 308.341 2.475 20 0 DEADHL O=C([O-])CCc1ccc(-c2ccc(Cc3nn[n-]n3)cc2)cc1 ZINC001244190005 1140319686 /nfs/dbraw/zinc/31/96/86/1140319686.db2.gz BSBDIFSAQQJBTJ-UHFFFAOYSA-N -2 3 308.341 2.475 20 0 DEADHL O=C1Cc2cc(-c3cc([O-])c(F)c(F)c3F)ccc2C(=O)[N-]1 ZINC001245640467 1140804729 /nfs/dbraw/zinc/80/47/29/1140804729.db2.gz FNUCPBOYBDRZPM-UHFFFAOYSA-N -2 3 307.227 2.289 20 0 DEADHL O=S(=O)([N-]c1cncc([O-])c1)c1ccc(F)c(F)c1F ZINC001259074558 1144063576 /nfs/dbraw/zinc/06/35/76/1144063576.db2.gz ZVNXVMWYYRNLDV-UHFFFAOYSA-N -2 3 304.249 2.005 20 0 DEADHL O=S(=O)([N-]c1cncc([O-])c1)c1cc(F)c(F)c(F)c1 ZINC001259495139 1144103627 /nfs/dbraw/zinc/10/36/27/1144103627.db2.gz CRKDFADUBTWVAQ-UHFFFAOYSA-N -2 3 304.249 2.005 20 0 DEADHL CC(=O)c1cccc([N-]S(=O)(=O)CCC(F)(F)F)c1[O-] ZINC001259872674 1144150968 /nfs/dbraw/zinc/15/09/68/1144150968.db2.gz IZQKMCLCWSRSFB-UHFFFAOYSA-N -2 3 311.281 2.289 20 0 DEADHL CC(C)(CC[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000310667862 535040615 /nfs/dbraw/zinc/04/06/15/535040615.db2.gz FHYBCBDIAPDAPH-UHFFFAOYSA-N -2 3 311.812 2.181 20 0 DEADHL COCc1cccc(S(=O)(=O)[N-]c2cccc([O-])c2F)c1 ZINC000179332168 356021229 /nfs/dbraw/zinc/02/12/29/356021229.db2.gz HJOOHAVGKGUALZ-UHFFFAOYSA-N -2 3 311.334 2.479 20 0 DEADHL C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)CC1 ZINC000253116905 356335116 /nfs/dbraw/zinc/33/51/16/356335116.db2.gz GGJDBTROKXDRES-CZMCAQCFSA-N -2 3 303.405 2.303 20 0 DEADHL CCC[C@H](CC)S(=O)(=O)[N-]c1cc([O-])ccc1C(=O)OC ZINC000581432661 357187408 /nfs/dbraw/zinc/18/74/08/357187408.db2.gz GOYHIGNRHXYYFR-NSHDSACASA-N -2 3 315.391 2.499 20 0 DEADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCCC2(C)C)cc1C(=O)[O-] ZINC000581882435 357261812 /nfs/dbraw/zinc/26/18/12/357261812.db2.gz 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/nfs/dbraw/zinc/72/69/50/406726950.db2.gz CLBBXDCXEWPJAR-IUCAKERBSA-N -2 3 318.420 2.088 20 0 DEADHL C[C@H]1C[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C[C@@H](C)C1 ZINC000656716053 425171121 /nfs/dbraw/zinc/17/11/21/425171121.db2.gz CGBOFHDLEFIROX-URLYPYJESA-N -2 3 315.391 2.328 20 0 DEADHL C[C@H](CC(=O)[O-])NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000455746533 269144641 /nfs/dbraw/zinc/14/46/41/269144641.db2.gz FHNJFXOVCTWJNE-ZCFIWIBFSA-N -2 3 313.766 2.385 20 0 DEADHL Cc1oc(S(=O)(=O)[N-]CCCC(C)(C)C)cc1C(=O)[O-] ZINC000516968224 269374147 /nfs/dbraw/zinc/37/41/47/269374147.db2.gz KFAXVHMASCZMRE-UHFFFAOYSA-N -2 3 303.380 2.391 20 0 DEADHL Cc1ccc([C@H](C)C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000573362926 326050163 /nfs/dbraw/zinc/05/01/63/326050163.db2.gz MPJZLZBLPWGAJQ-LLVKDONJSA-N -2 3 323.370 2.368 20 0 DEADHL O=C([O-])CCc1nnc([N-]C(=O)c2cc(F)ccc2F)s1 ZINC000739776606 600628670 /nfs/dbraw/zinc/62/86/70/600628670.db2.gz FYZFCIQGSPZBQF-UHFFFAOYSA-N -2 3 313.285 2.086 20 0 DEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C2CCCCC2)c1F ZINC000021506153 600989586 /nfs/dbraw/zinc/98/95/86/600989586.db2.gz XACKIKHCXCERPH-UHFFFAOYSA-N -2 3 319.329 2.274 20 0 DEADHL C[C@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])C(=O)[O-] ZINC000832835875 601188140 /nfs/dbraw/zinc/18/81/40/601188140.db2.gz LQZFIEAIBXSMMB-JTQLQIEISA-N -2 3 301.298 2.387 20 0 DEADHL O=C([O-])c1cnc([N-]C(=O)c2cc(-c3ccccn3)no2)s1 ZINC000833162267 601268534 /nfs/dbraw/zinc/26/85/34/601268534.db2.gz KORQTXVXRZTXNH-UHFFFAOYSA-N -2 3 316.298 2.144 20 0 DEADHL O=C([O-])N[C@@H]1CCCCCC[C@H]1C(=O)[N-]OCC(F)(F)F ZINC000832357207 605139215 /nfs/dbraw/zinc/13/92/15/605139215.db2.gz GOFSOHTZESMDTN-RKDXNWHRSA-N -2 3 312.288 2.203 20 0 DEADHL C[C@@H]1CCC[C@@H](C)C1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833611741 605203885 /nfs/dbraw/zinc/20/38/85/605203885.db2.gz QAGUMJMFTBZCII-RKDXNWHRSA-N -2 3 301.364 2.081 20 0 DEADHL C[C@@H](CC(=O)Nc1ncccc1[O-])C1CCN(C(=O)[O-])CC1 ZINC000824711164 605243661 /nfs/dbraw/zinc/24/36/61/605243661.db2.gz ROOGEHLEUXHFRP-JTQLQIEISA-N -2 3 307.350 2.142 20 0 DEADHL O=C([O-])c1cnc(C=Cc2ccc(F)c(-c3nnn[n-]3)c2)s1 ZINC000826461950 608881048 /nfs/dbraw/zinc/88/10/48/608881048.db2.gz KTXNVMHMUSYAMP-RQOWECAXSA-N -2 3 317.305 2.331 20 0 DEADHL O=C([O-])c1cnc(C=Cc2ccc(F)c(-c3nn[n-]n3)c2)s1 ZINC000826461950 608881051 /nfs/dbraw/zinc/88/10/51/608881051.db2.gz KTXNVMHMUSYAMP-RQOWECAXSA-N -2 3 317.305 2.331 20 0 DEADHL CCOC(=O)c1cnc(NC(=O)c2ccc(Cl)c([O-])c2)[n-]1 ZINC001362976990 1153168408 /nfs/dbraw/zinc/16/84/08/1153168408.db2.gz KSQKSRYMLXMDDX-UHFFFAOYSA-N -2 3 309.709 2.198 20 0 DEADHL CCOC(=O)c1c[n-]c(NC(=O)c2ccc(Cl)c([O-])c2)n1 ZINC001362976990 1153168411 /nfs/dbraw/zinc/16/84/11/1153168411.db2.gz KSQKSRYMLXMDDX-UHFFFAOYSA-N -2 3 309.709 2.198 20 0 DEADHL C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000235458330 625806985 /nfs/dbraw/zinc/80/69/85/625806985.db2.gz KFCNUPQLRSXVBM-RXMQYKEDSA-N -2 3 317.310 2.066 20 0 DEADHL O=C([O-])CC[C@H]1CCCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000909479470 637687623 /nfs/dbraw/zinc/68/76/23/637687623.db2.gz RYBVBZQIBMINAN-LLVKDONJSA-N -2 3 309.337 2.177 20 0 DEADHL CC(C)Cn1[n-]c(CC(=O)Nc2cc(Cl)ccc2[O-])cc1=O ZINC000751980083 639143082 /nfs/dbraw/zinc/14/30/82/639143082.db2.gz XQAGVDQQBVGWOM-UHFFFAOYSA-N -2 3 323.780 2.373 20 0 DEADHL O=C(c1cccc(Cl)c1[O-])N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC000898217774 641050896 /nfs/dbraw/zinc/05/08/96/641050896.db2.gz RJJVMQPBGTUZGL-MRVPVSSYSA-N -2 3 307.737 2.104 20 0 DEADHL O=C([O-])C[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1ccco1 ZINC000906003986 644112801 /nfs/dbraw/zinc/11/28/01/644112801.db2.gz UIMWLGCJRKLFBW-CYBMUJFWSA-N -2 3 323.370 2.034 20 0 DEADHL CC(C)N(CC(=O)[O-])C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000908913816 645027291 /nfs/dbraw/zinc/02/72/91/645027291.db2.gz OXUFZHUTLCSNOP-UHFFFAOYSA-N -2 3 305.252 2.346 20 0 DEADHL CN(C(=O)NCc1ccc([O-])c(F)c1)C1(C(=O)[O-])CCCC1 ZINC000909050371 645080848 /nfs/dbraw/zinc/08/08/48/645080848.db2.gz ZPJXNZPOTHPZPL-UHFFFAOYSA-N -2 3 310.325 2.070 20 0 DEADHL O=C([O-])[C@@]1(F)CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000909308660 645169414 /nfs/dbraw/zinc/16/94/14/645169414.db2.gz WJMPWZYGAFCGGT-GFCCVEGCSA-N -2 3 321.226 2.050 20 0 DEADHL O=C([O-])C[C@H]1CCCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000909740488 645188827 /nfs/dbraw/zinc/18/88/27/645188827.db2.gz PPIMRILHSQAIEC-SNVBAGLBSA-N -2 3 317.263 2.490 20 0 DEADHL O=C([O-])C12CCC(C(=O)NCc3ccc([O-])c(F)c3)(CC1)C2 ZINC000909924185 645250485 /nfs/dbraw/zinc/25/04/85/645250485.db2.gz YWIAYKSXSWGATM-UHFFFAOYSA-N -2 3 307.321 2.183 20 0 DEADHL Cc1cccc(CO[N-]C(=O)C23CCC(C(=O)[O-])(CC2)CC3)n1 ZINC000911825413 645841347 /nfs/dbraw/zinc/84/13/47/645841347.db2.gz YUPZOWXWTLWXJS-UHFFFAOYSA-N -2 3 318.373 2.363 20 0 DEADHL CCCCCC[C@H](C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000828812373 649226126 /nfs/dbraw/zinc/22/61/26/649226126.db2.gz BZJKYONECSJZDD-VIFPVBQESA-N -2 3 320.436 2.479 20 0 DEADHL C[C@@](CNCc1c(F)ccc(F)c1Cl)(CC(=O)[O-])C(=O)[O-] ZINC001332033499 1149811364 /nfs/dbraw/zinc/81/13/64/1149811364.db2.gz YCKRRFIXDCWHPQ-ZDUSSCGKSA-N -2 3 321.707 2.273 20 0 DEADHL C[C@H]1CC[C@@H](Oc2[n-]c(=O)nc3nc(Br)[n-]c32)C1 ZINC001227594353 779739156 /nfs/dbraw/zinc/73/91/56/779739156.db2.gz MPXRNXLDJNQJOS-NTSWFWBYSA-N -2 3 313.155 2.388 20 0 DEADHL O=Nc1c(=O)[n-]c(=O)[nH]c1Nc1ccc(C=CC(=O)[O-])cc1 ZINC001176594702 794452957 /nfs/dbraw/zinc/45/29/57/794452957.db2.gz XVWCSVMPJKASOU-ZZXKWVIFSA-N -2 3 302.246 2.127 20 0 DEADHL O=C(NCCCCP(=O)([O-])[O-])C12CCC(F)(CC1)CC2 ZINC001185536445 796286860 /nfs/dbraw/zinc/28/68/60/796286860.db2.gz IBINWVYLXOJOOU-UHFFFAOYSA-N -2 3 307.302 2.123 20 0 DEADHL O=S(=O)(CCCF)[N-]c1ccc(Br)cc1[O-] ZINC001189906629 796899767 /nfs/dbraw/zinc/89/97/67/796899767.db2.gz PNOGRTUFVMUCMS-UHFFFAOYSA-N -2 3 312.160 2.256 20 0 DEADHL Cc1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c(F)n1 ZINC001198738696 798384714 /nfs/dbraw/zinc/38/47/14/798384714.db2.gz DVZRZNUESUSUQO-UHFFFAOYSA-N -2 3 310.306 2.028 20 0 DEADHL Cc1cccc(S(=O)(=O)[N-]c2cc(=O)[n-]c(Cl)n2)c1F ZINC001200676940 798664448 /nfs/dbraw/zinc/66/44/48/798664448.db2.gz UZXKDSCRAXKWGF-UHFFFAOYSA-N -2 3 317.729 2.084 20 0 DEADHL O=C(NCCCCP(=O)([O-])[O-])Nc1ccc(Cl)cc1 ZINC001202379799 798879261 /nfs/dbraw/zinc/87/92/61/798879261.db2.gz YSJMVCVGZPHOCR-UHFFFAOYSA-N -2 3 306.686 2.419 20 0 DEADHL O=P([O-])([O-])CCO[C@H]1CC=C[C@@H]1COCc1ccccc1 ZINC001224608123 802886382 /nfs/dbraw/zinc/88/63/82/802886382.db2.gz ZMBXNEAZOSEKGO-CABCVRRESA-N -2 3 312.302 2.342 20 0 DEADHL O=C([O-])CC[C@H]1C[C@H](C(=O)Nc2c([O-])cccc2Cl)CO1 ZINC001595005519 951194282 /nfs/dbraw/zinc/19/42/82/951194282.db2.gz NVMFIDZQAVSEOD-IUCAKERBSA-N -2 3 313.737 2.254 20 0 DEADHL CCc1cccc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1[O-] ZINC001593640196 953638346 /nfs/dbraw/zinc/63/83/46/953638346.db2.gz SVHIXRICAFDBLT-UONOGXRCSA-N -2 3 303.358 2.137 20 0 DEADHL C/C=C\C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000385104123 971981733 /nfs/dbraw/zinc/98/17/33/971981733.db2.gz BMIHIGALZMTTQF-IHWYPQMZSA-N -2 3 307.730 2.032 20 0 DEADHL O=C([O-])c1ccccc1CC(=O)[N-]OCc1ccc(F)cc1 ZINC001594709776 956867787 /nfs/dbraw/zinc/86/77/87/956867787.db2.gz NLGGBLZPRXDJAM-UHFFFAOYSA-N -2 3 303.289 2.314 20 0 DEADHL Cc1ccc2[n-]cc(C(=O)Nc3cc(C(=O)[O-])ccn3)c(=O)c2c1 ZINC001594385507 958658487 /nfs/dbraw/zinc/65/84/87/958658487.db2.gz VAOOVVZIEUJHOI-UHFFFAOYSA-N -2 3 323.308 2.182 20 0 DEADHL Cc1cccc([O-])c1C(=O)NC[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001571132544 961571069 /nfs/dbraw/zinc/57/10/69/961571069.db2.gz CSMOQTHGTCCZAM-ZDUSSCGKSA-N -2 3 317.316 2.438 20 0 DEADHL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC001603359869 972816898 /nfs/dbraw/zinc/81/68/98/972816898.db2.gz CGFOOXWNWDIGTD-YPMHNXCESA-N -2 3 323.364 2.423 20 0 DEADHL CC(C)c1ccc(C(=O)N[C@H](CC(F)F)C(=O)[O-])c([O-])c1 ZINC001591941896 976464133 /nfs/dbraw/zinc/46/41/33/976464133.db2.gz IMYRQBUVICUSLX-SNVBAGLBSA-N -2 3 301.289 2.354 20 0 DEADHL CC[C@](NC(=O)c1cccc2n[n-]nc21)(C(=O)[O-])c1ccccc1 ZINC001595270263 980286048 /nfs/dbraw/zinc/28/60/48/980286048.db2.gz DNNOCQOPOHSHFH-QGZVFWFLSA-N -2 3 324.340 2.078 20 0 DEADHL CC(=O)c1ccc(C(=O)N[C@@H](CC(C)(C)C)C(=O)[O-])cc1[O-] ZINC001589275489 985983776 /nfs/dbraw/zinc/98/37/76/985983776.db2.gz FWKMSVPCEUJTGY-LBPRGKRZSA-N -2 3 307.346 2.214 20 0 DEADHL CC(=O)c1ccc(C(=O)N[C@@H](C(=O)[O-])C2CCCCC2)cc1[O-] ZINC001589276464 985990314 /nfs/dbraw/zinc/99/03/14/985990314.db2.gz WJHYUOHQGJNEQT-OAHLLOKOSA-N -2 3 319.357 2.358 20 0 DEADHL CC(C)(C)c1ncc(C(=O)[N-]c2nc(C(=O)[O-])ns2)s1 ZINC001590550243 990187637 /nfs/dbraw/zinc/18/76/37/990187637.db2.gz ATWDXFVYNBMBFE-UHFFFAOYSA-N -2 3 312.376 2.243 20 0 DEADHL CN(C)c1cc(C(=O)[O-])ccc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC001598300453 991244312 /nfs/dbraw/zinc/24/43/12/991244312.db2.gz KJFPLXOYOQUFTQ-ZDUSSCGKSA-N -2 3 323.349 2.031 20 0 DEADHL O=C([O-])c1coc(C(=O)[N-]c2nnc(-c3ccco3)s2)c1 ZINC001602550648 1069672770 /nfs/dbraw/zinc/67/27/70/1069672770.db2.gz IPBLGTMTARTOPQ-UHFFFAOYSA-N -2 3 305.271 2.342 20 0 DEADHL O=C([O-])c1coc(C[N-]S(=O)(=O)c2coc3ccccc32)c1 ZINC001602557638 1069675432 /nfs/dbraw/zinc/67/54/32/1069675432.db2.gz YMIRSRBLEMQJJY-UHFFFAOYSA-N -2 3 321.310 2.203 20 0 DEADHL C[C@@H](/C=C\C(=O)[O-])[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC001604050802 1070185775 /nfs/dbraw/zinc/18/57/75/1070185775.db2.gz SFBOKVZQRVETTD-XDVGHUOJSA-N -2 3 305.227 2.202 20 0 DEADHL C[C@H](CC[N-]S(=O)(=O)c1occc1C(=O)[O-])c1ccccc1 ZINC001604142397 1070241947 /nfs/dbraw/zinc/24/19/47/1070241947.db2.gz RYCOZWQKARLGNE-LLVKDONJSA-N -2 3 323.370 2.450 20 0 DEADHL CC1(C)C[C@@]1(C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001604520748 1070420052 /nfs/dbraw/zinc/42/00/52/1070420052.db2.gz UXEJJNHBALSWFE-CYBMUJFWSA-N -2 3 319.329 2.130 20 0 DEADHL COc1ccc(C=Cc2cc(C(=O)[O-])ccn2)cc1-c1nnn[n-]1 ZINC001605269864 1070666750 /nfs/dbraw/zinc/66/67/50/1070666750.db2.gz IGVBKQVUSCTEPQ-RQOWECAXSA-N -2 3 323.312 2.139 20 0 DEADHL COc1ccc(C=Cc2cc(C(=O)[O-])ccn2)cc1-c1nn[n-]n1 ZINC001605269864 1070666753 /nfs/dbraw/zinc/66/67/53/1070666753.db2.gz IGVBKQVUSCTEPQ-RQOWECAXSA-N -2 3 323.312 2.139 20 0 DEADHL CCCCc1nnc([N-]C(=O)c2csc(C(=O)[O-])n2)s1 ZINC001605292512 1070672211 /nfs/dbraw/zinc/67/22/11/1070672211.db2.gz DHCYNEXETGIREK-UHFFFAOYSA-N -2 3 312.376 2.288 20 0 DEADHL COC(=O)c1cc(C(=O)OCc2cc(C(=O)[O-])sc2C)c[n-]1 ZINC001606537189 1071161674 /nfs/dbraw/zinc/16/16/74/1071161674.db2.gz GCJNIELXBFNRJV-UHFFFAOYSA-N -2 3 323.326 2.226 20 0 DEADHL CO[C@H]1CCN(C(=O)c2ccc(C(C)C)cc2[O-])[C@@H](C(=O)[O-])C1 ZINC001606751280 1071208021 /nfs/dbraw/zinc/20/80/21/1071208021.db2.gz RHURRUWQEBHYGD-GXTWGEPZSA-N -2 3 321.373 2.220 20 0 DEADHL CC(F)(F)C(=O)[N-][C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC001609750894 1072606121 /nfs/dbraw/zinc/60/61/21/1072606121.db2.gz GYWRRTGYORVQCL-QMMMGPOBSA-N -2 3 322.105 2.346 20 0 DEADHL COc1nsc(OC)c1C(=O)[N-]c1sccc1C(=O)[O-] ZINC001607363897 1071423662 /nfs/dbraw/zinc/42/36/62/1071423662.db2.gz WJQBHIHQAQPJIA-UHFFFAOYSA-N -2 3 314.344 2.172 20 0 DEADHL Cc1c(C(=O)[O-])csc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC001607522175 1071467515 /nfs/dbraw/zinc/46/75/15/1071467515.db2.gz YUILSBABAUFNLX-UHFFFAOYSA-N -2 3 320.305 2.417 20 0 DEADHL Cc1cc(S(=O)(=O)[N-][C@H](C)/C=C\C(=O)[O-])sc1Cl ZINC001607705193 1071520633 /nfs/dbraw/zinc/52/06/33/1071520633.db2.gz GULPZIJCOBQVCK-KFOINNEUSA-N -2 3 309.796 2.018 20 0 DEADHL O=C(c1ccc(Cl)c([O-])c1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC001467398545 1059624327 /nfs/dbraw/zinc/62/43/27/1059624327.db2.gz BJXWIMFWKZROII-SECBINFHSA-N -2 3 323.736 2.154 20 0 DEADHL Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1cccc(Cl)c1[O-])C2 ZINC001470675084 1060131528 /nfs/dbraw/zinc/13/15/28/1060131528.db2.gz WULMCZYNMRIRDV-UHFFFAOYSA-N -2 3 305.721 2.006 20 0 DEADHL O=C([O-])c1cc(F)ccc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC001610815317 1078080156 /nfs/dbraw/zinc/08/01/56/1078080156.db2.gz TXPSMTPNZKSVET-UHFFFAOYSA-N -2 3 313.281 2.464 20 0 DEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)s1 ZINC001610840402 1078084412 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CCCCC[C@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)C(=O)[O-] ZINC001609967882 1077960379 /nfs/dbraw/zinc/96/03/79/1077960379.db2.gz WOYGWQSTLJFJAX-ZDUSSCGKSA-N -2 3 307.346 2.358 20 0 DEADHL CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001610011568 1077967430 /nfs/dbraw/zinc/96/74/30/1077967430.db2.gz FPPWYUSZYXJVAP-UHFFFAOYSA-N -2 3 324.333 2.088 20 0 DEADHL CCOc1ccc(C(=O)[O-])cc1-c1cncc(-c2nnn[n-]2)c1 ZINC001244422016 1140359486 /nfs/dbraw/zinc/35/94/86/1140359486.db2.gz TTZZJSDCRIQTAQ-UHFFFAOYSA-N -2 3 311.301 2.026 20 0 DEADHL CCOc1ccc(C(=O)[O-])cc1-c1cncc(-c2nn[n-]n2)c1 ZINC001244422016 1140359494 /nfs/dbraw/zinc/35/94/94/1140359494.db2.gz TTZZJSDCRIQTAQ-UHFFFAOYSA-N -2 3 311.301 2.026 20 0 DEADHL O=C([O-])Cc1ccc(F)c(-c2cc(F)cc(-c3nnn[n-]3)c2)c1 ZINC001245319964 1140610110 /nfs/dbraw/zinc/61/01/10/1140610110.db2.gz QWLGGSSRRNGGQP-UHFFFAOYSA-N -2 3 316.267 2.439 20 0 DEADHL O=C([O-])Cc1ccc(F)c(-c2cc(F)cc(-c3nn[n-]n3)c2)c1 ZINC001245319964 1140610112 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ZINC000645946657 406717057 /nfs/dbraw/zinc/71/70/57/406717057.db2.gz FTLQWDQCRZFFKU-UHFFFAOYSA-N -2 3 323.370 2.279 20 0 DEADHL C[C@H]([N-]S(=O)(=O)c1cccs1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653494605 425160702 /nfs/dbraw/zinc/16/07/02/425160702.db2.gz HQARPZRSQWLDHR-LPEHRKFASA-N -2 3 317.432 2.162 20 0 DEADHL O=C([O-])c1cnc(-c2cccc(CO[C@H]3CCOC3)c2)c([O-])c1 ZINC000657203651 425280709 /nfs/dbraw/zinc/28/07/09/425280709.db2.gz NXAYRBOGMKIUEV-AWEZNQCLSA-N -2 3 315.325 2.458 20 0 DEADHL C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000653318328 425460124 /nfs/dbraw/zinc/46/01/24/425460124.db2.gz GBMLPOMIPFMZER-QMTHXVAHSA-N -2 3 303.358 2.349 20 0 DEADHL COc1ccc([O-])c(C(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000655576115 425603722 /nfs/dbraw/zinc/60/37/22/425603722.db2.gz POABBUOLUQLSMY-TVYUQYBPSA-N -2 3 321.373 2.266 20 0 DEADHL Cc1cc(S(=O)(=O)[N-]C[C@H](C)c2ccccc2)oc1C(=O)[O-] ZINC000663418918 425837838 /nfs/dbraw/zinc/83/78/38/425837838.db2.gz DDJFVWHPXNDGER-NSHDSACASA-N -2 3 323.370 2.368 20 0 DEADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C)C2)oc1C(=O)[O-] ZINC000663421738 425838351 /nfs/dbraw/zinc/83/83/51/425838351.db2.gz ZVAVSZSUOSGLGR-PSASIEDQSA-N -2 3 301.364 2.143 20 0 DEADHL Cc1nc(C=Cc2ccc(O)cc2)[n-]c(=O)c1CCC(=O)[O-] ZINC000443457912 269138055 /nfs/dbraw/zinc/13/80/55/269138055.db2.gz YEJLYKHJLFGIMO-YWEYNIOJSA-N -2 3 300.314 2.384 20 0 DEADHL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000035390808 278493812 /nfs/dbraw/zinc/49/38/12/278493812.db2.gz GFWWHYLXALRUMC-JTQLQIEISA-N -2 3 323.773 2.257 20 0 DEADHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1cc(F)cc(F)c1)C(=O)[O-] ZINC000275289588 298322511 /nfs/dbraw/zinc/32/25/11/298322511.db2.gz SZDQCASAKPBSEO-MRVPVSSYSA-N -2 3 321.345 2.133 20 0 DEADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C1CCCCC1 ZINC000574274708 326139643 /nfs/dbraw/zinc/13/96/43/326139643.db2.gz PIEVSVNGYJARDP-UHFFFAOYSA-N -2 3 319.404 2.066 20 0 DEADHL CCC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CCCC1 ZINC000582119619 333296308 /nfs/dbraw/zinc/29/63/08/333296308.db2.gz CDQNUEXMWAPDFR-UHFFFAOYSA-N -2 3 301.364 2.227 20 0 DEADHL CO[C@H](C)c1nc(=NC(=O)c2cc([O-])ccc2Cl)s[n-]1 ZINC000356253084 536494285 /nfs/dbraw/zinc/49/42/85/536494285.db2.gz YHRGYVPUESBVQB-ZCFIWIBFSA-N -2 3 313.766 2.279 20 0 DEADHL CC(C)(NC(=O)[O-])C(=O)Nc1ccc(Br)cc1[O-] ZINC000736336233 599732430 /nfs/dbraw/zinc/73/24/30/599732430.db2.gz FMUHOVMSCJFBMG-UHFFFAOYSA-N -2 3 317.139 2.139 20 0 DEADHL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000740144223 600093244 /nfs/dbraw/zinc/09/32/44/600093244.db2.gz LFSSWPLPNMZFRM-UHFFFAOYSA-N -2 3 313.281 2.464 20 0 DEADHL CCC(CC)(CC(=O)[O-])NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000828789998 601309767 /nfs/dbraw/zinc/30/97/67/601309767.db2.gz FJMGPHJEQAUUHR-UHFFFAOYSA-N -2 3 316.357 2.291 20 0 DEADHL Cc1cc(=O)[n-]c(CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])n1 ZINC000832898749 602315293 /nfs/dbraw/zinc/31/52/93/602315293.db2.gz BQZYLLGJEHVQAM-XHDPSFHLSA-N -2 3 301.346 2.042 20 0 DEADHL O=C([O-])N1CC[C@@](F)(C(=O)Nc2cc(Cl)ccc2[O-])C1 ZINC000831907533 603858736 /nfs/dbraw/zinc/85/87/36/603858736.db2.gz FKKUVDMQNLZVJW-LBPRGKRZSA-N -2 3 302.689 2.076 20 0 DEADHL CC[C@@H]1CN(C(=O)c2ccc(C)cc2[O-])CC[C@H]1NC(=O)[O-] ZINC000833851846 605379734 /nfs/dbraw/zinc/37/97/34/605379734.db2.gz SZJGKCMTXDYYSG-DGCLKSJQSA-N -2 3 306.362 2.209 20 0 DEADHL O=C([O-])N[C@H](Cc1ccccc1)C(=O)Nc1cccc([O-])c1F ZINC000834151820 605716092 /nfs/dbraw/zinc/71/60/92/605716092.db2.gz YCRNSPRSNSSMDB-GFCCVEGCSA-N -2 3 318.304 2.349 20 0 DEADHL O=C([O-])N[C@@H](C(=O)Nc1cccc([O-])c1F)c1ccccc1 ZINC000834251984 605718767 /nfs/dbraw/zinc/71/87/67/605718767.db2.gz XCBYPXHSYQKVHX-CYBMUJFWSA-N -2 3 304.277 2.479 20 0 DEADHL Cc1ccc(C(=O)N(C2CC2)[C@@H]2CCN(C(=O)[O-])C2)c([O-])c1 ZINC000830182090 605872348 /nfs/dbraw/zinc/87/23/48/605872348.db2.gz PXBXUBIVUKQGPY-GFCCVEGCSA-N -2 3 304.346 2.058 20 0 DEADHL O=C([O-])N1CC[C@](F)(C(=O)Nc2ccc(Cl)cc2[O-])C1 ZINC000834087468 606013781 /nfs/dbraw/zinc/01/37/81/606013781.db2.gz YKCVIKKSKPVBDN-GFCCVEGCSA-N -2 3 302.689 2.076 20 0 DEADHL CCC[C@@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1nn[n-]n1 ZINC000765855910 640824481 /nfs/dbraw/zinc/82/44/81/640824481.db2.gz HANOJAOXSCKEDI-SNVBAGLBSA-N -2 3 313.283 2.088 20 0 DEADHL O=C1OCc2ccc(S(=O)(=O)[N-]c3cc([O-])cc(F)c3)cc21 ZINC000768057037 641047755 /nfs/dbraw/zinc/04/77/55/641047755.db2.gz ZVSLSMHGPNFYQV-UHFFFAOYSA-N -2 3 323.301 2.003 20 0 DEADHL O=C([O-])CC[C@@H]1C[C@H](C(=O)Nc2ccc(Cl)cc2[O-])CO1 ZINC000901605763 642725926 /nfs/dbraw/zinc/72/59/26/642725926.db2.gz VBBKKQXCLHGTSD-WCBMZHEXSA-N -2 3 313.737 2.254 20 0 DEADHL Cc1cc(S(=O)(=O)[N-]CC2CCC=CCC2)oc1C(=O)[O-] ZINC000903521264 643376466 /nfs/dbraw/zinc/37/64/66/643376466.db2.gz NYOUHJCSMNMZAX-UHFFFAOYSA-N -2 3 313.375 2.311 20 0 DEADHL Cc1nc(F)ccc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000794712875 644464336 /nfs/dbraw/zinc/46/43/36/644464336.db2.gz LAVLLLMEQSDOIQ-GQCTYLIASA-N -2 3 303.293 2.131 20 0 DEADHL CCCN(C(=O)NCc1ccc([O-])c(F)c1)[C@@H](CC)C(=O)[O-] ZINC000909047030 645079008 /nfs/dbraw/zinc/07/90/08/645079008.db2.gz CRCGFJHJRNCRPX-LBPRGKRZSA-N -2 3 312.341 2.316 20 0 DEADHL O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000909713760 645177679 /nfs/dbraw/zinc/17/76/79/645177679.db2.gz FUQGWZSUVMJIEE-MNOVXSKESA-N -2 3 317.263 2.394 20 0 DEADHL Cc1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CC2)sc1Cl ZINC000231807836 646780448 /nfs/dbraw/zinc/78/04/48/646780448.db2.gz ABNSIECKGCTBTD-QMMMGPOBSA-N -2 3 323.823 2.242 20 0 DEADHL Cc1cc(Cl)ccc1S(=O)(=O)[N-][N-]C(=O)C1CCCC1 ZINC000048653908 683918195 /nfs/dbraw/zinc/91/81/95/683918195.db2.gz FCJXTECYBLKKRY-UHFFFAOYSA-N -2 3 316.810 2.148 20 0 DEADHL Cc1ccccc1C[C@H](C)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871993906 688909699 /nfs/dbraw/zinc/90/96/99/688909699.db2.gz TTXDCRNFKYLQIE-NSHDSACASA-N -2 3 323.370 2.196 20 0 DEADHL O=C([O-])C1(CNC(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000909641866 693035577 /nfs/dbraw/zinc/03/55/77/693035577.db2.gz KHLKTOKYZXGBJE-UHFFFAOYSA-N -2 3 303.236 2.006 20 0 DEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)cc1N ZINC001211622446 777592236 /nfs/dbraw/zinc/59/22/36/777592236.db2.gz FIDINFNFTNHLDD-UHFFFAOYSA-N -2 3 320.370 2.385 20 0 DEADHL O=C(NCCCCP(=O)([O-])[O-])Nc1cc(F)cc(F)c1 ZINC001187589796 796551193 /nfs/dbraw/zinc/55/11/93/796551193.db2.gz PNVVBECTUIZPNU-UHFFFAOYSA-N -2 3 308.221 2.044 20 0 DEADHL CCCCc1ccc(NC(=O)NCCP(=O)([O-])[O-])cc1 ZINC001187748387 796573199 /nfs/dbraw/zinc/57/31/99/796573199.db2.gz WAQRJUPWONXFJQ-UHFFFAOYSA-N -2 3 300.295 2.328 20 0 DEADHL O=C(Nc1ncccc1[O-])c1cc(Cl)nc(Cl)c1[O-] ZINC001193084168 797497089 /nfs/dbraw/zinc/49/70/89/797497089.db2.gz ONCAKJAKRPNWHR-UHFFFAOYSA-N -2 3 300.101 2.447 20 0 DEADHL CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195254479 797860558 /nfs/dbraw/zinc/86/05/58/797860558.db2.gz LXMXIXROOIFIPZ-ZETCQYMHSA-N -2 3 307.318 2.130 20 0 DEADHL O=C(NCCCCP(=O)([O-])[O-])c1cccc(C(F)F)c1 ZINC001197821468 798248811 /nfs/dbraw/zinc/24/88/11/798248811.db2.gz SDAFJBSTUPODAS-UHFFFAOYSA-N -2 3 307.233 2.312 20 0 DEADHL Cc1cccc(C)c1NC(=O)NCCCCP(=O)([O-])[O-] ZINC001202214015 798843555 /nfs/dbraw/zinc/84/35/55/798843555.db2.gz DBQPHNJXYLIZCM-UHFFFAOYSA-N -2 3 300.295 2.383 20 0 DEADHL CC(C)Oc1ncccc1COCCCCP(=O)([O-])[O-] ZINC001225019082 802927665 /nfs/dbraw/zinc/92/76/65/802927665.db2.gz QSZMRVMWEMIGPJ-UHFFFAOYSA-N -2 3 303.295 2.343 20 0 DEADHL Cc1cc(COc2nc(=O)[n-]c(=O)[n-]2)cc(C)c1OC(C)C ZINC001227570144 803254548 /nfs/dbraw/zinc/25/45/48/803254548.db2.gz IQJJZXRDFLXVKX-UHFFFAOYSA-N -2 3 305.334 2.266 20 0 DEADHL CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC000022149931 957154014 /nfs/dbraw/zinc/15/40/14/957154014.db2.gz ORFOZIRFUSATRF-UHFFFAOYSA-N -2 3 309.746 2.254 20 0 DEADHL Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)c([O-])c1 ZINC001594346089 958321565 /nfs/dbraw/zinc/32/15/65/958321565.db2.gz DWGKSHMUKVKRSF-CQSZACIVSA-N -2 3 303.289 2.395 20 0 DEADHL Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cnc(C(=O)[O-])cn1 ZINC001594495718 959754004 /nfs/dbraw/zinc/75/40/04/959754004.db2.gz YQOHANOUFBLSME-UHFFFAOYSA-N -2 3 324.296 2.391 20 0 DEADHL Cc1cc(S(=O)(=O)[N-][C@](C)(C(=O)[O-])C2CC2)sc1Cl ZINC000231806599 960206243 /nfs/dbraw/zinc/20/62/43/960206243.db2.gz ZGGZDYCQMDGSPH-NSHDSACASA-N -2 3 323.823 2.242 20 0 DEADHL CC(C)(C)[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001589728811 987935860 /nfs/dbraw/zinc/93/58/60/987935860.db2.gz PAYCURSVAGSGSS-UWVGGRQHSA-N -2 3 315.391 2.471 20 0 DEADHL O=C([O-])c1ccc(-c2noc(-c3cc(=O)[n-]c(C4CC4)n3)n2)cc1 ZINC001602312588 1069601360 /nfs/dbraw/zinc/60/13/60/1069601360.db2.gz KVPGPDVYCWVIBB-UHFFFAOYSA-N -2 3 324.296 2.475 20 0 DEADHL CC(C)C[C@H](Nc1c(F)cc(-c2nn[n-]n2)cc1F)C(=O)[O-] ZINC001603308133 1069941209 /nfs/dbraw/zinc/94/12/09/1069941209.db2.gz WWQYPCMCHNEEAC-JTQLQIEISA-N -2 3 311.292 2.056 20 0 DEADHL C[C@H](/C=C/C(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC001604059021 1070192432 /nfs/dbraw/zinc/19/24/32/1070192432.db2.gz JVHIANPMMWGBKI-WEWAHIQMSA-N -2 3 324.185 2.301 20 0 DEADHL C[C@@H](OC(=O)c1cccc2nn[n-]c21)c1ccc(C(=O)[O-])o1 ZINC001604417223 1070373025 /nfs/dbraw/zinc/37/30/25/1070373025.db2.gz HAAGFKUVGYKXOZ-SSDOTTSWSA-N -2 3 301.258 2.167 20 0 DEADHL C[C@@H](OC(=O)c1cccc2[n-]nnc21)c1ccc(C(=O)[O-])o1 ZINC001604417223 1070373049 /nfs/dbraw/zinc/37/30/49/1070373049.db2.gz HAAGFKUVGYKXOZ-SSDOTTSWSA-N -2 3 301.258 2.167 20 0 DEADHL C[C@@H](OC(=O)c1cccc2n[n-]nc21)c1ccc(C(=O)[O-])o1 ZINC001604417223 1070373069 /nfs/dbraw/zinc/37/30/69/1070373069.db2.gz HAAGFKUVGYKXOZ-SSDOTTSWSA-N -2 3 301.258 2.167 20 0 DEADHL CC[C@H](C)C[C@@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)C(=O)[O-] ZINC001604953026 1070545834 /nfs/dbraw/zinc/54/58/34/1070545834.db2.gz QBJNOOOLYUGIKB-TVQRCGJNSA-N -2 3 307.346 2.214 20 0 DEADHL CC[C@@H](C)C[C@@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)C(=O)[O-] ZINC001604953024 1070545966 /nfs/dbraw/zinc/54/59/66/1070545966.db2.gz QBJNOOOLYUGIKB-NOZJJQNGSA-N -2 3 307.346 2.214 20 0 DEADHL CCC1([N-]S(=O)(=O)c2occc2C(=O)[O-])CCCCC1 ZINC001605148564 1070625443 /nfs/dbraw/zinc/62/54/43/1070625443.db2.gz LQMJPNLZECTSTH-UHFFFAOYSA-N -2 3 301.364 2.369 20 0 DEADHL CC[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC001605763759 1070899950 /nfs/dbraw/zinc/89/99/50/1070899950.db2.gz VFJLEPPJBVBCNJ-HOMQSWHASA-N -2 3 301.364 2.225 20 0 DEADHL O=C(Nc1cccc(-c2nnn[n-]2)c1)c1c([O-])cc(F)cc1F ZINC001606932397 1071245813 /nfs/dbraw/zinc/24/58/13/1071245813.db2.gz FSEAJIIBGOEIPY-UHFFFAOYSA-N -2 3 317.255 2.103 20 0 DEADHL O=C(Nc1cccc(-c2nn[n-]n2)c1)c1c([O-])cc(F)cc1F ZINC001606932397 1071245820 /nfs/dbraw/zinc/24/58/20/1071245820.db2.gz FSEAJIIBGOEIPY-UHFFFAOYSA-N -2 3 317.255 2.103 20 0 DEADHL O=C([O-])CC1(Nc2ccc3cc(-c4nnn[n-]4)ccc3n2)CCC1 ZINC001606960079 1071254572 /nfs/dbraw/zinc/25/45/72/1071254572.db2.gz GDCSOCSJPSVWIA-UHFFFAOYSA-N -2 3 324.344 2.224 20 0 DEADHL O=C([O-])CC1(Nc2ccc3cc(-c4nn[n-]n4)ccc3n2)CCC1 ZINC001606960079 1071254580 /nfs/dbraw/zinc/25/45/80/1071254580.db2.gz GDCSOCSJPSVWIA-UHFFFAOYSA-N -2 3 324.344 2.224 20 0 DEADHL O=C([O-])[C@@H]1CCCN(c2cccc(C(F)F)c2-c2nnn[n-]2)C1 ZINC001606958371 1071254797 /nfs/dbraw/zinc/25/47/97/1071254797.db2.gz SOAYJHMWCMBJQU-MRVPVSSYSA-N -2 3 323.303 2.105 20 0 DEADHL O=C([O-])[C@@H]1CCCN(c2cccc(C(F)F)c2-c2nn[n-]n2)C1 ZINC001606958371 1071254803 /nfs/dbraw/zinc/25/48/03/1071254803.db2.gz SOAYJHMWCMBJQU-MRVPVSSYSA-N -2 3 323.303 2.105 20 0 DEADHL COc1ccc2c(c1)CCC[C@@H]2CC(=O)[N-]OCCCC(=O)[O-] ZINC001607296605 1071400074 /nfs/dbraw/zinc/40/00/74/1071400074.db2.gz HDERKFJYJPQTCP-CYBMUJFWSA-N -2 3 321.373 2.418 20 0 DEADHL Cc1ccc(C(=O)N[C@](C)(CC(=O)[O-])c2ccncc2)c([O-])c1 ZINC001607730123 1071540085 /nfs/dbraw/zinc/54/00/85/1071540085.db2.gz MYFIMHYJXKZXEV-QGZVFWFLSA-N -2 3 314.341 2.216 20 0 DEADHL O=C([O-])C(F)(F)[C@H]([N-]C(=O)C(F)(F)c1ccccc1)C1CC1 ZINC001574307872 1069196201 /nfs/dbraw/zinc/19/62/01/1069196201.db2.gz CLKNZAPXTSZTOL-SNVBAGLBSA-N -2 3 319.254 2.393 20 0 DEADHL C[C@H](CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(=O)[O-] ZINC001589876951 1076522643 /nfs/dbraw/zinc/52/26/43/1076522643.db2.gz ZWPCHNBEFMYVBL-ZCFIWIBFSA-N -2 3 315.255 2.018 20 0 DEADHL C[C@H](CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(=O)[O-] ZINC001589876951 1076522649 /nfs/dbraw/zinc/52/26/49/1076522649.db2.gz ZWPCHNBEFMYVBL-ZCFIWIBFSA-N -2 3 315.255 2.018 20 0 DEADHL CC1(C(=O)[O-])CCN(c2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC001590071646 1076555889 /nfs/dbraw/zinc/55/58/89/1076555889.db2.gz STUSKJLXAFPVCK-UHFFFAOYSA-N -2 3 321.768 2.211 20 0 DEADHL O=C(Nc1cccc(C2CC2)n1)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001593245370 1076984660 /nfs/dbraw/zinc/98/46/60/1076984660.db2.gz WTDJAPMHDVTBJI-UHFFFAOYSA-N -2 3 322.328 2.097 20 0 DEADHL O=C([O-])c1ccnc(C=Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC001593283415 1076988831 /nfs/dbraw/zinc/98/88/31/1076988831.db2.gz RGJCCAJIDTYVRX-ONEGZZNKSA-N -2 3 311.276 2.269 20 0 DEADHL O=C([O-])c1ccnc(C=Cc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC001593283415 1076988832 /nfs/dbraw/zinc/98/88/32/1076988832.db2.gz RGJCCAJIDTYVRX-ONEGZZNKSA-N -2 3 311.276 2.269 20 0 DEADHL O=C([O-])[C@@H]1C[C@H](NC(=O)c2ccc(O)cc2[O-])c2ccccc21 ZINC001601573383 1077412613 /nfs/dbraw/zinc/41/26/13/1077412613.db2.gz SIXNILRZIJKKND-KGLIPLIRSA-N -2 3 313.309 2.141 20 0 DEADHL O=C([O-])c1ccc(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)s1 ZINC001608876822 1077712100 /nfs/dbraw/zinc/71/21/00/1077712100.db2.gz KXAZNJCIAWLTMQ-UHFFFAOYSA-N -2 3 320.326 2.176 20 0 DEADHL O=C([O-])c1ccc(F)c(COC(=O)c2cccc3nn[n-]c32)c1 ZINC001608895277 1077716847 /nfs/dbraw/zinc/71/68/47/1077716847.db2.gz RNXCCQWMQPBLNR-UHFFFAOYSA-N -2 3 315.260 2.152 20 0 DEADHL O=C([O-])c1ccc(F)c(COC(=O)c2cccc3[n-]nnc32)c1 ZINC001608895277 1077716850 /nfs/dbraw/zinc/71/68/50/1077716850.db2.gz RNXCCQWMQPBLNR-UHFFFAOYSA-N -2 3 315.260 2.152 20 0 DEADHL O=C([O-])c1ccc(F)c(COC(=O)c2cccc3n[n-]nc32)c1 ZINC001608895277 1077716854 /nfs/dbraw/zinc/71/68/54/1077716854.db2.gz RNXCCQWMQPBLNR-UHFFFAOYSA-N -2 3 315.260 2.152 20 0 DEADHL CC(C)(CS(=O)(=O)[N-]c1cncc2ccccc21)C(=O)[O-] ZINC001609678344 1077899936 /nfs/dbraw/zinc/89/99/36/1077899936.db2.gz DSPIFBPPEBEHJM-UHFFFAOYSA-N -2 3 308.359 2.087 20 0 DEADHL Cc1cc(=O)n(-c2ccc(-c3cc(C)c(F)c([O-])c3)nn2)[n-]1 ZINC001244508709 1140372400 /nfs/dbraw/zinc/37/24/00/1140372400.db2.gz WQNPROHKBHJBBF-UHFFFAOYSA-N -2 3 300.293 2.409 20 0 DEADHL CS(=O)(=O)[N-]c1c(Cl)ccc(Br)c1[O-] ZINC001252741294 1142813097 /nfs/dbraw/zinc/81/30/97/1142813097.db2.gz AYFKBYRFYLJXFL-UHFFFAOYSA-N -2 3 300.561 2.180 20 0 DEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c(F)n1 ZINC001260221248 1144182285 /nfs/dbraw/zinc/18/22/85/1144182285.db2.gz NNDVYEFIKYDCGB-UHFFFAOYSA-N -2 3 310.306 2.028 20 0 DEADHL Cc1nc(C)c(CCC(=O)Nc2cccc(Cl)c2[O-])c(=O)[n-]1 ZINC000077012398 185067871 /nfs/dbraw/zinc/06/78/71/185067871.db2.gz VRPMQJVVASGLII-UHFFFAOYSA-N -2 3 321.764 2.317 20 0 DEADHL Cc1ccc(F)c(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCC2)c1 ZINC000164940936 197666823 /nfs/dbraw/zinc/66/68/23/197666823.db2.gz WXQBLRJSPHUXGD-UHFFFAOYSA-N -2 3 315.366 2.057 20 0 DEADHL CC[C@@H](CC[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)C(=O)[O-] ZINC000297344778 529463620 /nfs/dbraw/zinc/46/36/20/529463620.db2.gz YSJYVXCWHAEFDV-QMMMGPOBSA-N -2 3 323.773 2.258 20 0 DEADHL O=c1[n-]c([C@@H]2CCCN(Cc3cc([O-])ccc3Cl)C2)n[nH]1 ZINC000625433497 365782436 /nfs/dbraw/zinc/78/24/36/365782436.db2.gz XXPGZIDXYYLWON-SECBINFHSA-N -2 3 308.769 2.249 20 0 DEADHL Cc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2ccccc2[O-])c1 ZINC000127504903 539481492 /nfs/dbraw/zinc/48/14/92/539481492.db2.gz RIZVMFHBBPKFCQ-UHFFFAOYSA-N -2 3 320.370 2.324 20 0 DEADHL Cc1cccc(S(=O)(=O)[N-][C@H](C)CCCC(=O)[O-])c1F ZINC000274953871 186449790 /nfs/dbraw/zinc/44/97/90/186449790.db2.gz IIGYQMRWVLOHHP-SNVBAGLBSA-N -2 3 303.355 2.056 20 0 DEADHL O=C([O-])C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000309725952 539877835 /nfs/dbraw/zinc/87/78/35/539877835.db2.gz PRRBJKDMBCOUFZ-JQWIXIFHSA-N -2 3 315.366 2.138 20 0 DEADHL COc1ccc(C(=O)N[C@H](C(=O)[O-])C2CCCCC2)c([O-])c1 ZINC000315125507 356422584 /nfs/dbraw/zinc/42/25/84/356422584.db2.gz SYZVGVDMIGXYQV-AWEZNQCLSA-N -2 3 307.346 2.164 20 0 DEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccoc1)c1ccccc1Cl ZINC000522020145 283643644 /nfs/dbraw/zinc/64/36/44/283643644.db2.gz SJDBSIZZILZFHR-LLVKDONJSA-N -2 3 315.734 2.037 20 0 DEADHL Cc1cccc([N-]S(=O)(=O)[C@H]2COC(C)(C)C2)c1C(=O)[O-] ZINC000629295587 367154961 /nfs/dbraw/zinc/15/49/61/367154961.db2.gz JDXSPXABVVSPIK-SNVBAGLBSA-N -2 3 313.375 2.002 20 0 DEADHL Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)(C)C)c(F)c1F ZINC000629294035 367155287 /nfs/dbraw/zinc/15/52/87/367155287.db2.gz UAIXPZLPWPHWLQ-NSHDSACASA-N -2 3 321.345 2.051 20 0 DEADHL COc1ccc([O-])c(C(=O)NCC2(C(=O)[O-])CCCCC2)c1 ZINC000262049191 203184913 /nfs/dbraw/zinc/18/49/13/203184913.db2.gz CSFPHGCOKJNNEZ-UHFFFAOYSA-N -2 3 307.346 2.166 20 0 DEADHL O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000284937814 218242591 /nfs/dbraw/zinc/24/25/91/218242591.db2.gz CSWBWAORBWWJTA-JTQLQIEISA-N -2 3 321.757 2.011 20 0 DEADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)c(F)c1 ZINC000063009413 184266130 /nfs/dbraw/zinc/26/61/30/184266130.db2.gz ACVXZUHTBPCNIU-UHFFFAOYSA-N -2 3 313.281 2.464 20 0 DEADHL COc1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)c(F)c1 ZINC000555388665 291794409 /nfs/dbraw/zinc/79/44/09/291794409.db2.gz BOIQDDWIFFNVMJ-UHFFFAOYSA-N -2 3 315.297 2.480 20 0 DEADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2cccc(F)c2)c1 ZINC000034957243 144566262 /nfs/dbraw/zinc/56/62/62/144566262.db2.gz WVXMWGXXENTGAG-UHFFFAOYSA-N -2 3 315.347 2.064 20 0 DEADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])cc1F ZINC000261748537 145222608 /nfs/dbraw/zinc/22/26/08/145222608.db2.gz VWDLAGYXTINSCJ-NSHDSACASA-N -2 3 321.345 2.051 20 0 DEADHL Cc1ccn2c(C=Cc3nc(C)c(CC(=O)[O-])c(=O)[n-]3)cnc2c1 ZINC000349105195 146350142 /nfs/dbraw/zinc/35/01/42/146350142.db2.gz GJVYEFOOBVHCLO-ARJAWSKDSA-N -2 3 324.340 2.244 20 0 DEADHL Cc1nc(C=Cc2ccnn2C(C)C)[n-]c(=O)c1CC(=O)[O-] ZINC000349106308 146350569 /nfs/dbraw/zinc/35/05/69/146350569.db2.gz IADUXLXXDJIAQI-PLNGDYQASA-N -2 3 302.334 2.066 20 0 DEADHL COCc1cccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c1 ZINC000349114076 146351936 /nfs/dbraw/zinc/35/19/36/146351936.db2.gz UBFVLGKPGLFDDI-SREVYHEPSA-N -2 3 314.341 2.435 20 0 DEADHL Cc1ccc([O-])c([N-]S(=O)(=O)CCOCC(F)(F)F)c1 ZINC000357149301 147051778 /nfs/dbraw/zinc/05/17/78/147051778.db2.gz PGBOTOSPVFKSGM-UHFFFAOYSA-N -2 3 313.297 2.021 20 0 DEADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)[C@@H](C)c1ccccc1 ZINC000565890858 292189247 /nfs/dbraw/zinc/18/92/47/292189247.db2.gz WRUNWBAGLKNZAU-GHMZBOCLSA-N -2 3 323.370 2.448 20 0 DEADHL CCCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000035085589 401894976 /nfs/dbraw/zinc/89/49/76/401894976.db2.gz SMJDXQPRPPUTIC-JTQLQIEISA-N -2 3 323.773 2.401 20 0 DEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1 ZINC000035587201 401900202 /nfs/dbraw/zinc/90/02/02/401900202.db2.gz KWWIVHCEGYVCJS-UHFFFAOYSA-N -2 3 313.281 2.464 20 0 DEADHL Cc1ccsc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000566179523 292215001 /nfs/dbraw/zinc/21/50/01/292215001.db2.gz POHZIWFJLSGECW-UHFFFAOYSA-N -2 3 315.372 2.135 20 0 DEADHL O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000097064337 402104009 /nfs/dbraw/zinc/10/40/09/402104009.db2.gz LMLITORSZYWNOI-APPZFPTMSA-N -2 3 321.757 2.011 20 0 DEADHL COc1c(F)ccc(F)c1C(=O)[N-]c1n[n-]c(C(F)(F)F)n1 ZINC000125444435 402233307 /nfs/dbraw/zinc/23/33/07/402233307.db2.gz SNRCJEAGWIYMQO-UHFFFAOYSA-N -2 3 322.193 2.363 20 0 DEADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]CCCC1CCCC1 ZINC000224647424 402314864 /nfs/dbraw/zinc/31/48/64/402314864.db2.gz DXEMZPAVMJWZSL-UHFFFAOYSA-N -2 3 318.420 2.090 20 0 DEADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2ccc(Cl)s2)CCC1 ZINC000164953619 402471373 /nfs/dbraw/zinc/47/13/73/402471373.db2.gz HNONKCIWMHSBBI-UHFFFAOYSA-N -2 3 323.823 2.325 20 0 DEADHL C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000263455846 402771054 /nfs/dbraw/zinc/77/10/54/402771054.db2.gz UOBBCCVGVDIHOP-KRWDZBQOSA-N -2 3 303.358 2.208 20 0 DEADHL C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000273702131 403026882 /nfs/dbraw/zinc/02/68/82/403026882.db2.gz NUMFQXMMOPRKSB-CPCISQLKSA-N -2 3 319.329 2.130 20 0 DEADHL COc1cccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c1 ZINC000342638980 403292298 /nfs/dbraw/zinc/29/22/98/403292298.db2.gz SRVGKWMATUTKTH-UHFFFAOYSA-N -2 3 309.343 2.210 20 0 DEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(F)ccc2F)c1 ZINC000342628762 403288217 /nfs/dbraw/zinc/28/82/17/403288217.db2.gz ANLOKTKVZSRLLX-UHFFFAOYSA-N -2 3 315.297 2.480 20 0 DEADHL CC[C@@H](C)CO[N-]C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000292155716 403308103 /nfs/dbraw/zinc/30/81/03/403308103.db2.gz SNDNHECJYBOOLK-SECBINFHSA-N -2 3 313.423 2.239 20 0 DEADHL O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)C1 ZINC000567377951 292310060 /nfs/dbraw/zinc/31/00/60/292310060.db2.gz JZNKYFQSNMTABW-FKQCQYRASA-N -2 3 324.185 2.135 20 0 DEADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cccc(C)c1F ZINC000296872816 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Cc1cccc(F)c1S(=O)(=O)[N-]CC1(C(=O)[O-])CCCC1 ZINC000547890035 406458177 /nfs/dbraw/zinc/45/81/77/406458177.db2.gz VBVUSPPERPMXCW-UHFFFAOYSA-N -2 3 315.366 2.057 20 0 DEADHL Cc1oc(S(=O)(=O)[N-][C@H](C)C2CCCC2)cc1C(=O)[O-] ZINC000645968031 406723830 /nfs/dbraw/zinc/72/38/30/406723830.db2.gz YPXGWBHDEGKPMR-MRVPVSSYSA-N -2 3 301.364 2.143 20 0 DEADHL CO[C@@H](CS(=O)(=O)[N-]c1cccc(C)c1C(=O)[O-])C(C)C ZINC000647127619 406955482 /nfs/dbraw/zinc/95/54/82/406955482.db2.gz XPOWADCSOCTNNB-LBPRGKRZSA-N -2 3 315.391 2.106 20 0 DEADHL CC[C@@H](CC[N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000297195775 286830978 /nfs/dbraw/zinc/83/09/78/286830978.db2.gz MHVIRUKJHAIPQG-QMMMGPOBSA-N -2 3 323.773 2.258 20 0 DEADHL CCCC1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CCC1 ZINC000391692835 424919678 /nfs/dbraw/zinc/91/96/78/424919678.db2.gz KGSLUZRMIGNQCI-UHFFFAOYSA-N -2 3 301.364 2.227 20 0 DEADHL CC[C@H](C(=O)[O-])N(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000650517498 425011639 /nfs/dbraw/zinc/01/16/39/425011639.db2.gz 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Cc1ccc(CC(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)cc1C ZINC001581190024 1076048909 /nfs/dbraw/zinc/04/89/09/1076048909.db2.gz DLPGNWDINKLQBS-UHFFFAOYSA-N -2 3 323.356 2.136 20 0 DEADHL Cc1ccc(CC(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)cc1C ZINC001581190024 1076048916 /nfs/dbraw/zinc/04/89/16/1076048916.db2.gz DLPGNWDINKLQBS-UHFFFAOYSA-N -2 3 323.356 2.136 20 0 DEADHL CC(=Cc1ccc(F)cc1)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001588769955 1076463433 /nfs/dbraw/zinc/46/34/33/1076463433.db2.gz BEBZWICAVJIOPF-FPLPWBNLSA-N -2 3 312.308 2.370 20 0 DEADHL CC(=Cc1ccc(F)cc1)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001588769955 1076463434 /nfs/dbraw/zinc/46/34/34/1076463434.db2.gz BEBZWICAVJIOPF-FPLPWBNLSA-N -2 3 312.308 2.370 20 0 DEADHL CC[C@H](C)c1cc(=O)n(-c2cc(-c3nnn[n-]3)cc(Cl)n2)[n-]1 ZINC001590400944 1076620104 /nfs/dbraw/zinc/62/01/04/1076620104.db2.gz BILHZKDQWDRQAL-ZETCQYMHSA-N -2 3 319.756 2.054 20 0 DEADHL CC[C@H](C)c1cc(=O)n(-c2cc(-c3nn[n-]n3)cc(Cl)n2)[n-]1 ZINC001590400944 1076620106 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Cc1oc(S(=O)(=O)[N-]C2(CC(C)C)CC2)cc1C(=O)[O-] ZINC001608056922 1077586032 /nfs/dbraw/zinc/58/60/32/1077586032.db2.gz SZKZNHJSJGHACR-UHFFFAOYSA-N -2 3 301.364 2.143 20 0 DEADHL COc1cccc(C=C(C)c2nc(C)c(-c3nn[n-]n3)c(=O)[n-]2)c1 ZINC001609360530 1077840693 /nfs/dbraw/zinc/84/06/93/1077840693.db2.gz AGKFJTHFRGOQRT-CLFYSBASSA-N -2 3 324.344 2.240 20 0 DEADHL COc1cccc(C=C(C)c2nc(C)c(-c3nnn[n-]3)c(=O)[n-]2)c1 ZINC001609360530 1077840698 /nfs/dbraw/zinc/84/06/98/1077840698.db2.gz AGKFJTHFRGOQRT-CLFYSBASSA-N -2 3 324.344 2.240 20 0 DEADHL [O-]c1ccc(-c2noc(-c3ccc(-c4nnn[n-]4)o3)n2)cc1F ZINC001609611315 1077883264 /nfs/dbraw/zinc/88/32/64/1077883264.db2.gz WNYCJROJTIZHPX-UHFFFAOYSA-N -2 3 314.236 2.021 20 0 DEADHL [O-]c1ccc(-c2noc(-c3ccc(-c4nn[n-]n4)o3)n2)cc1F ZINC001609611315 1077883269 /nfs/dbraw/zinc/88/32/69/1077883269.db2.gz WNYCJROJTIZHPX-UHFFFAOYSA-N -2 3 314.236 2.021 20 0 DEADHL C[C@@H](NC(=O)c1ccccc1[O-])[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001609773248 1077920040 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Cc1ccc(C(=O)[O-])c([N-]S(=O)(=O)[C@H]2COC(C)(C)C2)c1 ZINC000629304635 367157525 /nfs/dbraw/zinc/15/75/25/367157525.db2.gz NLMDOVQOWRYZKV-SNVBAGLBSA-N -2 3 313.375 2.002 20 0 DEADHL C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000092114047 193161322 /nfs/dbraw/zinc/16/13/22/193161322.db2.gz YRGSSYIILHQZAI-BXKDBHETSA-N -2 3 315.366 2.381 20 0 DEADHL CC(C)(C)[C@H](C[N-]S(=O)(=O)c1ccccc1F)CC(=O)[O-] ZINC000275064436 212100745 /nfs/dbraw/zinc/10/07/45/212100745.db2.gz ZNFQYILIHYYBHW-JTQLQIEISA-N -2 3 317.382 2.241 20 0 DEADHL CC(C)N(C)S(=O)(=O)[N-]c1cc(Br)ccc1[O-] ZINC000094573818 193381979 /nfs/dbraw/zinc/38/19/79/193381979.db2.gz WYECGFOFBYYWCF-UHFFFAOYSA-N -2 3 323.212 2.152 20 0 DEADHL Cc1cccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)(C)C)c1F ZINC000274917595 212031816 /nfs/dbraw/zinc/03/18/16/212031816.db2.gz AHEMMEMIDMDWTD-LLVKDONJSA-N -2 3 317.382 2.302 20 0 DEADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(F)cc2F)CCCCC1 ZINC000013262859 181840338 /nfs/dbraw/zinc/84/03/38/181840338.db2.gz 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Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](CC1CCC1)C(=O)[O-] ZINC000530473454 405809252 /nfs/dbraw/zinc/80/92/52/405809252.db2.gz ZMUZCIJBFRBONS-LBPRGKRZSA-N -2 3 315.366 2.056 20 0 DEADHL CC1(C)CC[C@]([N-]S(=O)(=O)c2ccccc2F)(C(=O)[O-])C1 ZINC000560417133 405812153 /nfs/dbraw/zinc/81/21/53/405812153.db2.gz HTOKUQIIIVKHED-CQSZACIVSA-N -2 3 315.366 2.138 20 0 DEADHL CC(=O)c1ccc([O-])c(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000568207052 406213437 /nfs/dbraw/zinc/21/34/37/406213437.db2.gz WZFOYDFBOFEQTN-UHFFFAOYSA-N -2 3 313.313 2.220 20 0 DEADHL C[C@H]1CC(C)(C)CC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000645990749 406733216 /nfs/dbraw/zinc/73/32/16/406733216.db2.gz LLIFWJDXBMFSGP-GXSJLCMTSA-N -2 3 315.391 2.471 20 0 DEADHL CC(C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC000645951165 406720103 /nfs/dbraw/zinc/72/01/03/406720103.db2.gz COXCMEADPCAHJB-UHFFFAOYSA-N -2 3 323.370 2.234 20 0 DEADHL CC(C)n1cnc([N-]C(=O)c2cc(F)c(F)c([O-])c2F)n1 ZINC000652726645 425315533 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O=C([O-])N1CCc2cc(NC(=O)c3c([O-])cccc3O)ccc21 ZINC000834054189 605688182 /nfs/dbraw/zinc/68/81/82/605688182.db2.gz SUPTYFSJIIEOFW-UHFFFAOYSA-N -2 3 314.297 2.391 20 0 DEADHL CSc1nc(NC(=O)c2ccc3[n-]c(=S)oc3c2)n[n-]1 ZINC000746187698 638319922 /nfs/dbraw/zinc/31/99/22/638319922.db2.gz SIGPNIZJVYYPMJ-UHFFFAOYSA-N -2 3 307.360 2.209 20 0 DEADHL C[C@]1(NC(=O)Cc2ccc([O-])c(F)c2)CCCC[C@@H]1C(=O)[O-] ZINC000909538654 638727833 /nfs/dbraw/zinc/72/78/33/638727833.db2.gz RQLDWRLDYUIOLV-BZNIZROVSA-N -2 3 309.337 2.224 20 0 DEADHL O=C([O-])CC[C@H]1C[C@H](C(=O)Nc2cc(Cl)ccc2[O-])CO1 ZINC000901601829 642724316 /nfs/dbraw/zinc/72/43/16/642724316.db2.gz LOVBZTCGROEEMV-WPRPVWTQSA-N -2 3 313.737 2.254 20 0 DEADHL O=C([O-])c1cc(F)ccc1[N-]S(=O)(=O)CC1(F)CCC1 ZINC000905991754 644109851 /nfs/dbraw/zinc/10/98/51/644109851.db2.gz SRILMPKFAQBJEU-UHFFFAOYSA-N -2 3 305.302 2.158 20 0 DEADHL COc1cc(C=Cc2nc(C)cc(=O)[n-]2)ccc1OCC(=O)[O-] ZINC000806574417 645847398 /nfs/dbraw/zinc/84/73/98/645847398.db2.gz 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RIGWVIZFKKOBPK-UHFFFAOYSA-N -2 3 302.330 2.080 20 0 DEADHL O=C([O-])c1ccccc1-c1ccc(CN2CC(C(=O)[O-])C2)o1 ZINC001608943355 1077725995 /nfs/dbraw/zinc/72/59/95/1077725995.db2.gz WUOGOEGVHKWABP-UHFFFAOYSA-N -2 3 301.298 2.161 20 0 DEADHL CCc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001609253527 1077815507 /nfs/dbraw/zinc/81/55/07/1077815507.db2.gz UOQRDAADWFFHKF-UHFFFAOYSA-N -2 3 309.329 2.387 20 0 DEADHL CCC[C@H](NC(=O)c1cc([O-])cc(Br)c1)C(=O)[O-] ZINC000700647994 1086323368 /nfs/dbraw/zinc/32/33/68/1086323368.db2.gz YEYSRDVLHFQXPD-JTQLQIEISA-N -2 3 316.151 2.138 20 0 DEADHL COC(=O)c1nc2nc(-c3ccc(F)c(C(=O)[O-])c3)ccc2[n-]1 ZINC001241245381 1139768344 /nfs/dbraw/zinc/76/83/44/1139768344.db2.gz AGXJRZVSCRTQMS-UHFFFAOYSA-N -2 3 315.260 2.249 20 0 DEADHL COC(=O)c1nc2ccc(-c3ccc(F)c(C(=O)[O-])c3)[n-]c-2n1 ZINC001241245381 1139768354 /nfs/dbraw/zinc/76/83/54/1139768354.db2.gz AGXJRZVSCRTQMS-UHFFFAOYSA-N -2 3 315.260 2.249 20 0 DEADHL O=c1ccn(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)[n-]1 ZINC001251154802 1142387218 /nfs/dbraw/zinc/38/72/18/1142387218.db2.gz DJUFDUXVQNIKPV-UHFFFAOYSA-N -2 3 315.354 2.379 20 0 DEADHL O=S(=O)([N-]c1nc2c(cccc2[O-])s1)c1ccccn1 ZINC001259281061 1144083070 /nfs/dbraw/zinc/08/30/70/1144083070.db2.gz DRMXFGLPVVPDGZ-UHFFFAOYSA-N -2 3 307.356 2.198 20 0 DEADHL O=S(=O)([N-]c1nc2c(cccc2[O-])s1)c1cccnc1 ZINC001259601652 1144111388 /nfs/dbraw/zinc/11/13/88/1144111388.db2.gz LNUHZGHURDFMAV-UHFFFAOYSA-N -2 3 307.356 2.198 20 0 DEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2c(F)cc(F)cc2F)o1 ZINC000088720325 185263276 /nfs/dbraw/zinc/26/32/76/185263276.db2.gz LJYSJYYVOXFHLF-UHFFFAOYSA-N -2 3 321.232 2.196 20 0 DEADHL C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000235619194 356288193 /nfs/dbraw/zinc/28/81/93/356288193.db2.gz ZQSAHHPOCJVNES-VHSXEESVSA-N -2 3 301.364 2.082 20 0 DEADHL CC[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC000581724346 357237800 /nfs/dbraw/zinc/23/78/00/357237800.db2.gz YKWDAURATLYLGD-RKDXNWHRSA-N -2 3 318.420 2.088 20 0 DEADHL COc1ccc(C(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])c([O-])c1 ZINC000622000483 364627895 /nfs/dbraw/zinc/62/78/95/364627895.db2.gz OOYZLQOUSTUYEC-MLGOLLRUSA-N -2 3 307.346 2.164 20 0 DEADHL CC(C)C[C@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000092114145 193162686 /nfs/dbraw/zinc/16/26/86/193162686.db2.gz OJVBWTCDNVEQKV-VIFPVBQESA-N -2 3 303.355 2.237 20 0 DEADHL Cc1cccc(F)c1S(=O)(=O)[N-]C[C@@H](CC(C)C)C(=O)[O-] ZINC000262432891 203292455 /nfs/dbraw/zinc/29/24/55/203292455.db2.gz FRHKKRZOXJLNKN-LLVKDONJSA-N -2 3 317.382 2.159 20 0 DEADHL Cc1ccc(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)c(F)c1 ZINC000262392162 203281703 /nfs/dbraw/zinc/28/17/03/203281703.db2.gz IRMQFJNFMXXQIN-UHFFFAOYSA-N -2 3 315.366 2.056 20 0 DEADHL CC1(C)CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000094324682 193359647 /nfs/dbraw/zinc/35/96/47/193359647.db2.gz MHUKBKVYFCGLHQ-VIFPVBQESA-N -2 3 303.405 2.303 20 0 DEADHL Cc1oc(S(=O)(=O)[N-]C[C@@H]2CC[C@H]3C[C@H]3C2)cc1C(=O)[O-] ZINC000530148993 284351077 /nfs/dbraw/zinc/35/10/77/284351077.db2.gz LGDZNUWROGFMSO-OUAUKWLOSA-N -2 3 313.375 2.001 20 0 DEADHL CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc([O-])c(F)c1 ZINC000681017119 542083294 /nfs/dbraw/zinc/08/32/94/542083294.db2.gz UKSPYTPEMFRCEK-UHFFFAOYSA-N -2 3 324.333 2.155 20 0 DEADHL CO[C@@H](C)c1nc(=NC(=O)c2cc([O-])ccc2Cl)s[n-]1 ZINC000356253083 133074628 /nfs/dbraw/zinc/07/46/28/133074628.db2.gz YHRGYVPUESBVQB-LURJTMIESA-N -2 3 313.766 2.279 20 0 DEADHL CCC[C@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1Cl)C(=O)[O-] ZINC000262607115 145296399 /nfs/dbraw/zinc/29/63/99/145296399.db2.gz ACPPAINGQXVBOV-JTQLQIEISA-N -2 3 323.773 2.319 20 0 DEADHL Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccccc1[O-] ZINC000127523104 401738371 /nfs/dbraw/zinc/73/83/71/401738371.db2.gz AHCZGFKJHPQWFZ-UHFFFAOYSA-N -2 3 301.346 2.334 20 0 DEADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(F)c(F)c2)CCCCC1 ZINC000013262864 401798221 /nfs/dbraw/zinc/79/82/21/401798221.db2.gz ZYSPFSKLUIPORW-UHFFFAOYSA-N -2 3 319.329 2.031 20 0 DEADHL O=C([O-])CC1([N-]S(=O)(=O)c2ccc(Cl)s2)CCCC1 ZINC000084146890 401902568 /nfs/dbraw/zinc/90/25/68/401902568.db2.gz RYZAAFPLALTVRE-UHFFFAOYSA-N -2 3 323.823 2.467 20 0 DEADHL CCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000036838360 401908433 /nfs/dbraw/zinc/90/84/33/401908433.db2.gz RWWBIDJHJIKWPB-VIFPVBQESA-N -2 3 309.746 2.011 20 0 DEADHL Cc1cccc([N-]S(=O)(=O)CCC(F)(F)F)c1C(=O)[O-] ZINC000172265804 402647373 /nfs/dbraw/zinc/64/73/73/402647373.db2.gz VTSOADRQQUDLAC-UHFFFAOYSA-N -2 3 311.281 2.387 20 0 DEADHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000275128904 403099995 /nfs/dbraw/zinc/09/99/95/403099995.db2.gz IBTZIRWNKYGCPD-QMMMGPOBSA-N -2 3 321.345 2.133 20 0 DEADHL CCC(CC)(CNC(=O)c1ccc(C(C)=O)c([O-])c1)C(=O)[O-] ZINC000566796950 292269052 /nfs/dbraw/zinc/26/90/52/292269052.db2.gz PCZQPRBALDTABD-UHFFFAOYSA-N -2 3 307.346 2.216 20 0 DEADHL Cc1nc(SCC(=O)Nc2ccccc2[O-])[n-]c(=O)c1C ZINC000343103742 403463618 /nfs/dbraw/zinc/46/36/18/403463618.db2.gz DQFDEZGJAHBWED-UHFFFAOYSA-N -2 3 305.359 2.235 20 0 DEADHL O=C([O-])C[C@H](NC(=O)c1ccc2n[n-]nc2c1)C1CCCCC1 ZINC000345987643 403560428 /nfs/dbraw/zinc/56/04/28/403560428.db2.gz VXJUJIPFYOVVNT-ZDUSSCGKSA-N -2 3 316.361 2.111 20 0 DEADHL CC[C@H](CC[N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000296842631 404337938 /nfs/dbraw/zinc/33/79/38/404337938.db2.gz BZVONUWGZFKRLN-MRVPVSSYSA-N -2 3 323.773 2.258 20 0 DEADHL O=C([O-])CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccs1 ZINC000297263057 404525078 /nfs/dbraw/zinc/52/50/78/404525078.db2.gz RUOYFHRFDMDKJT-MNOVXSKESA-N -2 3 317.432 2.450 20 0 DEADHL Cc1cc(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])c(F)cc1F ZINC000424390082 405080656 /nfs/dbraw/zinc/08/06/56/405080656.db2.gz JFNBPQNRBPZETM-UHFFFAOYSA-N -2 3 321.345 2.052 20 0 DEADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccsc2)c1F ZINC000427344475 405400463 /nfs/dbraw/zinc/40/04/63/405400463.db2.gz JECNNCACOHCEOB-UHFFFAOYSA-N -2 3 301.320 2.386 20 0 DEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C3CC3)C2)o1 ZINC000569841065 406310943 /nfs/dbraw/zinc/31/09/43/406310943.db2.gz OKYZCVYAYLHLDQ-WDEREUQCSA-N -2 3 313.375 2.225 20 0 DEADHL CC[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC000570568327 406411123 /nfs/dbraw/zinc/41/11/23/406411123.db2.gz SFQMUBIGDZPAPC-LLVKDONJSA-N -2 3 323.370 2.450 20 0 DEADHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)(C)C)c(F)cc1F ZINC000548200666 406492733 /nfs/dbraw/zinc/49/27/33/406492733.db2.gz MOCISYPWZBGMPD-NSHDSACASA-N -2 3 321.345 2.051 20 0 DEADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CC2)c1 ZINC000569239336 292400540 /nfs/dbraw/zinc/40/05/40/292400540.db2.gz ZRWKQBKJYKUETK-AWEZNQCLSA-N -2 3 321.354 2.407 20 0 DEADHL O=C([O-])c1csc(S(=O)(=O)[N-]CC2CCC(F)CC2)c1 ZINC000646060443 406762288 /nfs/dbraw/zinc/76/22/88/406762288.db2.gz QBXCWBHCVGYKHW-UHFFFAOYSA-N -2 3 321.395 2.253 20 0 DEADHL C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000645972966 406727128 /nfs/dbraw/zinc/72/71/28/406727128.db2.gz INNXAIWBRBCGKI-KOLCDFICSA-N -2 3 301.364 2.225 20 0 DEADHL CO[C@H](C)c1nc(=NCc2cc(=O)[n-]c(C3CCC3)n2)s[n-]1 ZINC000641683961 406871375 /nfs/dbraw/zinc/87/13/75/406871375.db2.gz SKRGVVPVHYIFIC-MRVPVSSYSA-N -2 3 321.406 2.043 20 0 DEADHL CO[C@H](CS(=O)(=O)[N-]c1cc([O-])c(F)cc1F)C(C)C ZINC000647134255 406956790 /nfs/dbraw/zinc/95/67/90/406956790.db2.gz UGOPNJJNLNEAGT-GFCCVEGCSA-N -2 3 309.334 2.083 20 0 DEADHL O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000644572410 407144601 /nfs/dbraw/zinc/14/46/01/407144601.db2.gz GSIIZTMYQKXGAG-FKQCQYRASA-N -2 3 324.185 2.135 20 0 DEADHL Cc1ccccc1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000650441300 424998895 /nfs/dbraw/zinc/99/88/95/424998895.db2.gz LXDGAVRXQKHRSL-NWDGAFQWSA-N -2 3 321.354 2.121 20 0 DEADHL CSc1ccc([O-])c(C(=O)N2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000659762103 425645914 /nfs/dbraw/zinc/64/59/14/425645914.db2.gz BCXGDSNRZGMHJW-SNVBAGLBSA-N -2 3 309.387 2.441 20 0 DEADHL Cc1cc(S(=O)(=O)[N-]C2(C)CCCCC2)oc1C(=O)[O-] ZINC000663418176 425837727 /nfs/dbraw/zinc/83/77/27/425837727.db2.gz AGNGGKJYRWFCPG-UHFFFAOYSA-N -2 3 301.364 2.287 20 0 DEADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2C)oc1C(=O)[O-] ZINC000663418826 425837867 /nfs/dbraw/zinc/83/78/67/425837867.db2.gz BIZSVEDTOFNVGU-WPRPVWTQSA-N -2 3 301.364 2.143 20 0 DEADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)C[C@@H]2C)oc1C(=O)[O-] ZINC000663422256 425838428 /nfs/dbraw/zinc/83/84/28/425838428.db2.gz ICJWDEHUFOPWEW-WCABBAIRSA-N -2 3 315.391 2.389 20 0 DEADHL Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)o1 ZINC000577067116 326340699 /nfs/dbraw/zinc/34/06/99/326340699.db2.gz WZEZUUVYCCFYSM-CHWSQXEVSA-N -2 3 321.354 2.180 20 0 DEADHL Cc1ccc(-n2[n-]c(C(=O)Nc3nc(C)ccc3[O-])cc2=O)cc1 ZINC000447637102 534237700 /nfs/dbraw/zinc/23/77/00/534237700.db2.gz NYQHVJVHBPZTPO-UHFFFAOYSA-N -2 3 324.340 2.135 20 0 DEADHL CCOC(=O)c1cnc(C(C)=Cc2cc([O-])cc(F)c2)[n-]c1=O ZINC000193265236 528286361 /nfs/dbraw/zinc/28/63/61/528286361.db2.gz SCVAMWQQBPZYBB-RUDMXATFSA-N -2 3 318.304 2.352 20 0 DEADHL C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)[O-] ZINC000739050470 597048313 /nfs/dbraw/zinc/04/83/13/597048313.db2.gz CWHNXLLPVQMIAC-MRVPVSSYSA-N -2 3 316.342 2.086 20 0 DEADHL O=C([O-])c1cnc(C=Cc2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000823392422 607460806 /nfs/dbraw/zinc/46/08/06/607460806.db2.gz QOISBEXXTLNGST-ONEGZZNKSA-N -2 3 317.305 2.331 20 0 DEADHL O=C([O-])c1cnc(C=Cc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000823392422 607460808 /nfs/dbraw/zinc/46/08/08/607460808.db2.gz QOISBEXXTLNGST-ONEGZZNKSA-N -2 3 317.305 2.331 20 0 DEADHL CC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000828672058 601479729 /nfs/dbraw/zinc/47/97/29/601479729.db2.gz LIABKUZITIQACK-SNVBAGLBSA-N -2 3 311.812 2.323 20 0 DEADHL Cc1cc(=O)[n-]c(CN2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])n1 ZINC000832899918 602315381 /nfs/dbraw/zinc/31/53/81/602315381.db2.gz UNSATUDAGKNHNL-UONOGXRCSA-N -2 3 319.405 2.346 20 0 DEADHL Cc1ccc(C(=O)N2CCC[C@H](C)[C@H]2CNC(=O)[O-])c([O-])c1 ZINC000830191892 603650917 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ZINC001608036095 1077581781 /nfs/dbraw/zinc/58/17/81/1077581781.db2.gz KYUOVSFLKIGPGW-UHFFFAOYSA-N -2 3 318.285 2.016 20 0 DEADHL O=C([O-])[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1cccs1 ZINC001608363559 1077632252 /nfs/dbraw/zinc/63/22/52/1077632252.db2.gz OKXYYRROTDEOME-ZDUSSCGKSA-N -2 3 309.318 2.077 20 0 DEADHL O=C([O-])c1coc(S(=O)(=O)[N-]Cc2cc3ccccc3o2)c1 ZINC001608990990 1077735699 /nfs/dbraw/zinc/73/56/99/1077735699.db2.gz YBVNROBHTCXEST-UHFFFAOYSA-N -2 3 321.310 2.203 20 0 DEADHL O=C(Nc1ccc([O-])c(Cl)c1)c1ccc(-c2nnn[n-]2)o1 ZINC001609565094 1077876223 /nfs/dbraw/zinc/87/62/23/1077876223.db2.gz FFFRQASQBUDSMH-UHFFFAOYSA-N -2 3 305.681 2.071 20 0 DEADHL C[C@H](NC(=O)c1ccccc1[O-])[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001609773249 1077919734 /nfs/dbraw/zinc/91/97/34/1077919734.db2.gz QQVJSEAZOKLXEY-SWLSCSKDSA-N -2 3 313.353 2.454 20 0 DEADHL CCCC[C@H](OC(=O)c1n[n-]c2c1cccc2OC)C(=O)[O-] ZINC001609963211 1077958984 /nfs/dbraw/zinc/95/89/84/1077958984.db2.gz HCKIUUPFULETKO-NSHDSACASA-N -2 3 306.318 2.372 20 0 DEADHL COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccccc2[O-])cc1 ZINC001610321178 1078003394 /nfs/dbraw/zinc/00/33/94/1078003394.db2.gz KGOVXAJODGQYJS-AWEZNQCLSA-N -2 3 315.325 2.347 20 0 DEADHL COc1ccc(C(=O)NCCc2c(F)cc([O-])cc2F)c([O-])c1 ZINC001413658668 1083819787 /nfs/dbraw/zinc/81/97/87/1083819787.db2.gz UECNLFQHNLZPIB-UHFFFAOYSA-N -2 3 323.295 2.357 20 0 DEADHL COc1cc(-c2ccc(Cc3nnn[n-]3)cc2)ccc1C(=O)[O-] ZINC001240746107 1139552584 /nfs/dbraw/zinc/55/25/84/1139552584.db2.gz VDEODXYYDAPRJZ-UHFFFAOYSA-N -2 3 310.313 2.164 20 0 DEADHL COc1cc(-c2ccc(Cc3nn[n-]n3)cc2)ccc1C(=O)[O-] ZINC001240746107 1139552603 /nfs/dbraw/zinc/55/26/03/1139552603.db2.gz VDEODXYYDAPRJZ-UHFFFAOYSA-N -2 3 310.313 2.164 20 0 DEADHL COc1ccc(C(=O)[O-])cc1-c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001242391632 1139897426 /nfs/dbraw/zinc/89/74/26/1139897426.db2.gz AUIOBSDWOWEAGM-UHFFFAOYSA-N -2 3 314.276 2.380 20 0 DEADHL COc1ccc(C(=O)[O-])cc1-c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001242391632 1139897428 /nfs/dbraw/zinc/89/74/28/1139897428.db2.gz AUIOBSDWOWEAGM-UHFFFAOYSA-N -2 3 314.276 2.380 20 0 DEADHL O=c1cc(-c2ccc(C(F)(F)F)nc2)[n-]n1-c1cc(=O)[n-]cn1 ZINC001245910639 1140830743 /nfs/dbraw/zinc/83/07/43/1140830743.db2.gz KDIBKWMBXSJYLD-UHFFFAOYSA-N -2 3 323.234 2.154 20 0 DEADHL O=S(=O)([N-]c1ncc([O-])cc1Cl)c1ccccc1F ZINC001255429930 1143623682 /nfs/dbraw/zinc/62/36/82/1143623682.db2.gz GYSOEOFCIOJEPK-UHFFFAOYSA-N -2 3 302.714 2.381 20 0 DEADHL O=S(=O)([N-]c1cncc([O-])c1)c1cccc(OC(F)F)c1 ZINC001259438487 1144095368 /nfs/dbraw/zinc/09/53/68/1144095368.db2.gz GVEHSGFADBGFCO-UHFFFAOYSA-N -2 3 316.285 2.189 20 0 DEADHL C[C@@H](O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC001260228302 1144182666 /nfs/dbraw/zinc/18/26/66/1144182666.db2.gz UHXOIBQQTAKLAA-SNVBAGLBSA-N -2 3 321.354 2.239 20 0 DEADHL COc1ccc(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)c([O-])c1 ZINC000315756560 539885490 /nfs/dbraw/zinc/88/54/90/539885490.db2.gz NTNIPKXJEBRSON-NSHDSACASA-N -2 3 309.362 2.268 20 0 DEADHL C[C@@H](CCC(C)(C)C)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000386159944 356694384 /nfs/dbraw/zinc/69/43/84/356694384.db2.gz VYVGFIQYMSLPJC-QMMMGPOBSA-N -2 3 320.436 2.334 20 0 DEADHL O=C([O-])CCC1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC000581136411 357137920 /nfs/dbraw/zinc/13/79/20/357137920.db2.gz WOTKHAQTAYSXCV-UHFFFAOYSA-N -2 3 305.378 2.136 20 0 DEADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)C1CCC1 ZINC000663256624 540337963 /nfs/dbraw/zinc/33/79/63/540337963.db2.gz WYYBLLMYWSTZHB-QMMMGPOBSA-N -2 3 323.823 2.181 20 0 DEADHL Cc1ccc(C(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)c([O-])c1 ZINC000622739781 364788461 /nfs/dbraw/zinc/78/84/61/364788461.db2.gz ZWQQDYAXUPHEDN-UHFFFAOYSA-N -2 3 301.346 2.170 20 0 DEADHL Cc1ccc(S(=O)(=O)[N-][C@H](C)CCCC(=O)[O-])c(F)c1F ZINC000629296560 367155238 /nfs/dbraw/zinc/15/52/38/367155238.db2.gz HSJCORWXVWNSNV-SECBINFHSA-N -2 3 321.345 2.195 20 0 DEADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](C)CCCC(=O)[O-] ZINC000274992972 212062690 /nfs/dbraw/zinc/06/26/90/212062690.db2.gz MZXKURUEDWDTMZ-JTQLQIEISA-N -2 3 303.355 2.056 20 0 DEADHL CC(C)(C[N-]S(=O)(=O)c1ccc(F)cc1Cl)CC(=O)[O-] ZINC000274980481 212054675 /nfs/dbraw/zinc/05/46/75/212054675.db2.gz JPFJXUFPTMLYCQ-UHFFFAOYSA-N -2 3 323.773 2.258 20 0 DEADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccnc2Cl)c1 ZINC000016129257 182034747 /nfs/dbraw/zinc/03/47/47/182034747.db2.gz MIHFSVQGWGHYJL-UHFFFAOYSA-N -2 3 312.734 2.234 20 0 DEADHL Cc1ccc(S(=O)(=O)[N-][C@@H](CC2CCC2)C(=O)[O-])c(F)c1 ZINC000530368029 284409105 /nfs/dbraw/zinc/40/91/05/284409105.db2.gz DEAOVRRGQIZTEV-LBPRGKRZSA-N -2 3 315.366 2.056 20 0 DEADHL Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2ccccc2[O-])c1 ZINC000156398336 197109930 /nfs/dbraw/zinc/10/99/30/197109930.db2.gz WONRCQNEQABCLT-UHFFFAOYSA-N -2 3 320.370 2.324 20 0 DEADHL Cc1cc(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)ccc1[O-] ZINC000356025758 133060819 /nfs/dbraw/zinc/06/08/19/133060819.db2.gz RDHWFAYJXGTPRC-UHFFFAOYSA-N -2 3 310.313 2.444 20 0 DEADHL COc1ccsc1S(=O)(=O)[N-][C@H](C)CCCCC(=O)[O-] ZINC000547566682 285601657 /nfs/dbraw/zinc/60/16/57/285601657.db2.gz ZMUHLKYDGUEMFQ-SECBINFHSA-N -2 3 321.420 2.069 20 0 DEADHL CC(C)CC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000563620220 292066637 /nfs/dbraw/zinc/06/66/37/292066637.db2.gz LGLXHTBCYVDAPX-UHFFFAOYSA-N -2 3 303.380 2.328 20 0 DEADHL CCC(CC)C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000564923339 292121428 /nfs/dbraw/zinc/12/14/28/292121428.db2.gz NITPHDJTRFIASO-UHFFFAOYSA-N -2 3 321.420 2.169 20 0 DEADHL COc1ccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cc1 ZINC000357010752 147021687 /nfs/dbraw/zinc/02/16/87/147021687.db2.gz BYCBGLQDJHVMRQ-UHFFFAOYSA-N -2 3 321.354 2.123 20 0 DEADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CCC(C)(C)C ZINC000566178623 292215116 /nfs/dbraw/zinc/21/51/16/292215116.db2.gz BTAMDAVUTFWVDM-UHFFFAOYSA-N -2 3 321.420 2.169 20 0 DEADHL C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2scnc2C(=O)[O-])CC1 ZINC000235337790 402362739 /nfs/dbraw/zinc/36/27/39/402362739.db2.gz SGSNZIZCVHEVHV-BDAKNGLRSA-N -2 3 318.420 2.088 20 0 DEADHL CCC(CC)(C[N-]S(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000165041719 402472157 /nfs/dbraw/zinc/47/21/57/402472157.db2.gz JEQCLRRKHNYKRT-UHFFFAOYSA-N -2 3 321.345 2.134 20 0 DEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCc2ccccc2)c(F)c1 ZINC000174268954 402734334 /nfs/dbraw/zinc/73/43/34/402734334.db2.gz RKVMZUYDIDWRHC-UHFFFAOYSA-N -2 3 323.345 2.045 20 0 DEADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)C(=O)[O-])c2)n1 ZINC000263550925 402780624 /nfs/dbraw/zinc/78/06/24/402780624.db2.gz KVISDQUWOBNARC-VIFPVBQESA-N -2 3 315.329 2.071 20 0 DEADHL CC[C@@](C)(C[N-]S(=O)(=O)c1cc(F)c(C)cc1F)C(=O)[O-] ZINC000274952226 403098701 /nfs/dbraw/zinc/09/87/01/403098701.db2.gz IALBHTITFFRSSW-ZDUSSCGKSA-N -2 3 321.345 2.052 20 0 DEADHL CCCC[C@H](CC)C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000567163767 292293528 /nfs/dbraw/zinc/29/35/28/292293528.db2.gz AAUDHLGTEDLUOY-JTQLQIEISA-N -2 3 303.380 2.473 20 0 DEADHL CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000567804702 406141033 /nfs/dbraw/zinc/14/10/33/406141033.db2.gz VDGUZBPUQLYVTJ-ZDUSSCGKSA-N -2 3 323.370 2.277 20 0 DEADHL O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000551925389 406651899 /nfs/dbraw/zinc/65/18/99/406651899.db2.gz FRBBCSUWBDHKHU-GFCCVEGCSA-N -2 3 323.356 2.078 20 0 DEADHL O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000551925389 406651907 /nfs/dbraw/zinc/65/19/07/406651907.db2.gz FRBBCSUWBDHKHU-GFCCVEGCSA-N -2 3 323.356 2.078 20 0 DEADHL CO[C@@H](C)c1nc(=NCc2cc(=O)[n-]c(C3CCC3)n2)s[n-]1 ZINC000641683962 406871381 /nfs/dbraw/zinc/87/13/81/406871381.db2.gz SKRGVVPVHYIFIC-QMMMGPOBSA-N -2 3 321.406 2.043 20 0 DEADHL CO[C@H](CS(=O)(=O)[N-]c1cccc(C)c1C(=O)[O-])C(C)C ZINC000647127618 406955502 /nfs/dbraw/zinc/95/55/02/406955502.db2.gz XPOWADCSOCTNNB-GFCCVEGCSA-N -2 3 315.391 2.106 20 0 DEADHL CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc([O-])c1F ZINC000129003587 196011234 /nfs/dbraw/zinc/01/12/34/196011234.db2.gz GNQXFQZJWJAHSQ-UHFFFAOYSA-N -2 3 324.333 2.155 20 0 DEADHL COc1ccsc1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000131526274 196176917 /nfs/dbraw/zinc/17/69/17/196176917.db2.gz OVJWXJADMSFTQY-UHFFFAOYSA-N -2 3 303.336 2.402 20 0 DEADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CC[C@H](C)C[C@@H]2C)oc1C(=O)[O-] ZINC000663422253 425838284 /nfs/dbraw/zinc/83/82/84/425838284.db2.gz ICJWDEHUFOPWEW-ATZCPNFKSA-N -2 3 315.391 2.389 20 0 DEADHL CCOC(=O)c1cc(NC(=O)c2ccc(CC)cc2[O-])n[n-]1 ZINC000189220201 333066564 /nfs/dbraw/zinc/06/65/64/333066564.db2.gz HUYJIZAXJBECOE-UHFFFAOYSA-N -2 3 303.318 2.107 20 0 DEADHL CCOC(=O)c1cc(NC(=O)c2ccc(CC)cc2[O-])[n-]n1 ZINC000189220201 333066566 /nfs/dbraw/zinc/06/65/66/333066566.db2.gz HUYJIZAXJBECOE-UHFFFAOYSA-N -2 3 303.318 2.107 20 0 DEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C1CCC1 ZINC000399229985 337314526 /nfs/dbraw/zinc/31/45/26/337314526.db2.gz YXMXPJIXEQMQNL-NSHDSACASA-N -2 3 321.757 2.011 20 0 DEADHL O=C([O-])C[C@H]1CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000321270884 597095976 /nfs/dbraw/zinc/09/59/76/597095976.db2.gz VGADYXPYHDYZOX-LLVKDONJSA-N -2 3 314.341 2.267 20 0 DEADHL O=C([O-])Cc1ccccc1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000821539646 598146110 /nfs/dbraw/zinc/14/61/10/598146110.db2.gz ZTFDOUFEGJHADJ-UHFFFAOYSA-N -2 3 315.281 2.000 20 0 DEADHL O=C([O-])Nc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000740033241 599749215 /nfs/dbraw/zinc/74/92/15/599749215.db2.gz IBRFJJQNGINEFX-UHFFFAOYSA-N -2 3 324.300 2.209 20 0 DEADHL CCC1CCC([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000049120377 599771471 /nfs/dbraw/zinc/77/14/71/599771471.db2.gz NRIRRDXUYAXIEQ-UHFFFAOYSA-N -2 3 301.364 2.225 20 0 DEADHL O=C([O-])Nc1cccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000740032642 599929730 /nfs/dbraw/zinc/92/97/30/599929730.db2.gz DOYVUOVTNRINTK-UHFFFAOYSA-N -2 3 324.300 2.209 20 0 DEADHL O=C([O-])Nc1cccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000740032642 599929734 /nfs/dbraw/zinc/92/97/34/599929734.db2.gz DOYVUOVTNRINTK-UHFFFAOYSA-N -2 3 324.300 2.209 20 0 DEADHL COc1cccc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)c1[O-] ZINC000321466148 600226878 /nfs/dbraw/zinc/22/68/78/600226878.db2.gz SMOPEHVXBAVCSA-LBPRGKRZSA-N -2 3 313.309 2.229 20 0 DEADHL COc1cccc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)c1[O-] ZINC000321466147 600226970 /nfs/dbraw/zinc/22/69/70/600226970.db2.gz SMOPEHVXBAVCSA-GFCCVEGCSA-N -2 3 313.309 2.229 20 0 DEADHL CCc1cccc(C(=O)Nc2nnc(CCC(=O)[O-])s2)c1[O-] ZINC000830259881 601290699 /nfs/dbraw/zinc/29/06/99/601290699.db2.gz IOIWNHWTYVUHJJ-UHFFFAOYSA-N -2 3 321.358 2.076 20 0 DEADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C1CC1 ZINC000137199875 601574456 /nfs/dbraw/zinc/57/44/56/601574456.db2.gz RUGMWEVPUWVRJE-SNVBAGLBSA-N -2 3 321.757 2.011 20 0 DEADHL Cc1sc(C(=O)[O-])cc1CSc1nc2nncc-2c(O)[n-]1 ZINC000833031662 601632200 /nfs/dbraw/zinc/63/22/00/601632200.db2.gz RIDRKGGKKQABMJ-UHFFFAOYSA-N -2 3 322.371 2.419 20 0 DEADHL CCC[C@](C)([N-]S(=O)(=O)c1cc(C)c(F)cc1F)C(=O)[O-] ZINC000829201645 601832308 /nfs/dbraw/zinc/83/23/08/601832308.db2.gz BXLIGPGBVBMDBD-ZDUSSCGKSA-N -2 3 321.345 2.195 20 0 DEADHL C[C@H](C(=O)Nc1ncccc1[O-])[C@H](NC(=O)[O-])c1ccccc1 ZINC000823724469 603433728 /nfs/dbraw/zinc/43/37/28/603433728.db2.gz QFSCEXSNNDFCFV-GWCFXTLKSA-N -2 3 315.329 2.371 20 0 DEADHL CCc1cccc(C(=O)N2CCC[C@@H](CNC(=O)[O-])C2)c1[O-] ZINC000827596635 603748503 /nfs/dbraw/zinc/74/85/03/603748503.db2.gz XIYPKSZIFDTKAA-NSHDSACASA-N -2 3 306.362 2.074 20 0 DEADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCCC(F)(F)C2)cc1C(=O)[O-] ZINC000833028721 604662700 /nfs/dbraw/zinc/66/27/00/604662700.db2.gz PAVOHYTUFLVENR-QMMMGPOBSA-N -2 3 323.317 2.142 20 0 DEADHL Cc1ccc([O-])c(C(=O)Nc2nc(CCC(=O)[O-])cs2)c1 ZINC000832952978 604719109 /nfs/dbraw/zinc/71/91/09/604719109.db2.gz JBGJALZVKUFSFK-UHFFFAOYSA-N -2 3 306.343 2.427 20 0 DEADHL CC[C@H](NC(=O)[O-])C(=O)Nc1cc(Br)ccc1[O-] ZINC000827531979 605160486 /nfs/dbraw/zinc/16/04/86/605160486.db2.gz QBKBUDCPBGLATK-ZETCQYMHSA-N -2 3 317.139 2.139 20 0 DEADHL C[C@H]1CCC[C@H](CC[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000833608535 605204123 /nfs/dbraw/zinc/20/41/23/605204123.db2.gz BJEYMJSTAOVMPF-WDEREUQCSA-N -2 3 315.391 2.473 20 0 DEADHL O=C([O-])N1CCc2ccccc2[C@@H]1C(=O)Nc1ncccc1[O-] ZINC000834057960 606066802 /nfs/dbraw/zinc/06/68/02/606066802.db2.gz KFJFRSUGDAKMRS-CYBMUJFWSA-N -2 3 313.313 2.003 20 0 DEADHL Cc1cc(NC(=O)c2cccc(-c3nnn[n-]3)c2)ccc1C(=O)[O-] ZINC000392154566 607109438 /nfs/dbraw/zinc/10/94/38/607109438.db2.gz YZIQIZOOMHCANY-UHFFFAOYSA-N -2 3 323.312 2.126 20 0 DEADHL Cc1cc(NC(=O)c2cccc(-c3nn[n-]n3)c2)ccc1C(=O)[O-] ZINC000392154566 607109441 /nfs/dbraw/zinc/10/94/41/607109441.db2.gz YZIQIZOOMHCANY-UHFFFAOYSA-N -2 3 323.312 2.126 20 0 DEADHL CC(C)c1cc(C(=O)[N-]NC(=O)c2cc(Cl)ccc2[O-])on1 ZINC000073067472 622896362 /nfs/dbraw/zinc/89/63/62/622896362.db2.gz WXFXLUIIGWGCPR-UHFFFAOYSA-N -2 3 323.736 2.232 20 0 DEADHL O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1cc([O-])ccc1Cl ZINC000236445886 625128011 /nfs/dbraw/zinc/12/80/11/625128011.db2.gz PZDSBMIXSILHIU-DVYJOKAKSA-N -2 3 309.749 2.371 20 0 DEADHL Cc1cc(S(=O)(=O)[N-]CC[C@@H](C)C(=O)[O-])sc1Cl ZINC000231807647 637566162 /nfs/dbraw/zinc/56/61/62/637566162.db2.gz XDQDDIBGBSZPAY-ZCFIWIBFSA-N -2 3 311.812 2.099 20 0 DEADHL Cc1cc(S(=O)(=O)[N-]CC[C@H](C)C(=O)[O-])sc1Cl ZINC000231807649 637566539 /nfs/dbraw/zinc/56/65/39/637566539.db2.gz XDQDDIBGBSZPAY-LURJTMIESA-N -2 3 311.812 2.099 20 0 DEADHL O=C(Nc1nnc(C(F)(F)F)[n-]1)c1c([O-])cccc1Cl ZINC000743299316 638131925 /nfs/dbraw/zinc/13/19/25/638131925.db2.gz LLYJLFUFLUUHJT-UHFFFAOYSA-N -2 3 306.631 2.435 20 0 DEADHL O=C(Nc1nc(C(F)(F)F)n[n-]1)c1c([O-])cccc1Cl ZINC000743299316 638131927 /nfs/dbraw/zinc/13/19/27/638131927.db2.gz LLYJLFUFLUUHJT-UHFFFAOYSA-N -2 3 306.631 2.435 20 0 DEADHL O=C(Nc1n[n-]c(C(F)(F)F)n1)c1c([O-])cccc1Cl ZINC000743299316 638131931 /nfs/dbraw/zinc/13/19/31/638131931.db2.gz LLYJLFUFLUUHJT-UHFFFAOYSA-N -2 3 306.631 2.435 20 0 DEADHL O=C([O-])CC[C@@H]1C[C@@H](C(=O)Nc2ccc(Cl)cc2[O-])CO1 ZINC000901605759 642725887 /nfs/dbraw/zinc/72/58/87/642725887.db2.gz VBBKKQXCLHGTSD-PSASIEDQSA-N -2 3 313.737 2.254 20 0 DEADHL CCC[C@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)C(=O)[O-] ZINC000908210495 644784218 /nfs/dbraw/zinc/78/42/18/644784218.db2.gz VSAQVJJVYBYLSK-JTQLQIEISA-N -2 3 305.252 2.394 20 0 DEADHL C[C@@]1(C(=O)[O-])CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000909300460 645158043 /nfs/dbraw/zinc/15/80/43/645158043.db2.gz ODKDHMGDPRGQOO-MRXNPFEDSA-N -2 3 309.337 2.177 20 0 DEADHL O=C([O-])[C@]12CN(C(=O)Cc3ccc([O-])c(F)c3)C[C@H]1CCCC2 ZINC000910151828 645340504 /nfs/dbraw/zinc/34/05/04/645340504.db2.gz JDDGARGOTPMGAV-SJKOYZFVSA-N -2 3 321.348 2.177 20 0 DEADHL O=C([O-])C1=CC[C@@H](NC(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000910200508 645343372 /nfs/dbraw/zinc/34/33/72/645343372.db2.gz MAKGBHPVKXSCRJ-SNVBAGLBSA-N -2 3 315.247 2.314 20 0 DEADHL CCC[C@@H](C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000021510972 683860552 /nfs/dbraw/zinc/86/05/52/683860552.db2.gz GWQSVMCVGMAMGQ-SSDOTTSWSA-N -2 3 307.318 2.130 20 0 DEADHL CC(C)(C)C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871995229 688910243 /nfs/dbraw/zinc/91/02/43/688910243.db2.gz OBCCIEHZAQWZDP-WCBMZHEXSA-N -2 3 301.364 2.081 20 0 DEADHL C[C@](CC(=O)[O-])([N-]S(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000687071189 778634418 /nfs/dbraw/zinc/63/44/18/778634418.db2.gz HSEWXNYSGYDGHF-LLVKDONJSA-N -2 3 323.823 2.323 20 0 DEADHL O=C(NCCCCP(=O)([O-])[O-])c1cccc2c1CCCC2 ZINC001148638011 791786009 /nfs/dbraw/zinc/78/60/09/791786009.db2.gz OKMZOVWZZGFGQC-UHFFFAOYSA-N -2 3 311.318 2.253 20 0 DEADHL O=C(NCCCCP(=O)([O-])[O-])C1(C(F)(F)F)CCCC1 ZINC001180479578 795306182 /nfs/dbraw/zinc/30/61/82/795306182.db2.gz RRHHAXORONWJKH-UHFFFAOYSA-N -2 3 317.244 2.183 20 0 DEADHL O=C(NCCCCP(=O)([O-])[O-])[C@@H]1C[C@@H]1c1ccccc1F ZINC001182290756 795640585 /nfs/dbraw/zinc/64/05/85/795640585.db2.gz JZZBZUQCHRAINY-VXGBXAGGSA-N -2 3 315.281 2.003 20 0 DEADHL CC(C)(C)c1ccnc(C(=O)NCCCCP(=O)([O-])[O-])c1 ZINC001184566627 796084835 /nfs/dbraw/zinc/08/48/35/796084835.db2.gz RIBDJVAFZLWMJU-UHFFFAOYSA-N -2 3 314.322 2.067 20 0 DEADHL O=C(NCCCCP(=O)([O-])[O-])Nc1ccc2c(c1)CCC2 ZINC001185777714 796314089 /nfs/dbraw/zinc/31/40/89/796314089.db2.gz VJGRKVBLLHTJEE-UHFFFAOYSA-N -2 3 312.306 2.255 20 0 DEADHL C[C@@H](CCc1ccccc1)C(=O)NCCCCP(=O)([O-])[O-] ZINC001186026292 796350718 /nfs/dbraw/zinc/35/07/18/796350718.db2.gz DYYBQRLMMKHHIV-ZDUSSCGKSA-N -2 3 313.334 2.329 20 0 DEADHL O=S(=O)([N-]c1cncc([O-])c1)c1cnc(Cl)c(Cl)c1 ZINC001188041039 796615364 /nfs/dbraw/zinc/61/53/64/796615364.db2.gz AYIHVWZIPOFUTJ-UHFFFAOYSA-N -2 3 320.157 2.290 20 0 DEADHL O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(F)c(F)c1[O-] ZINC001192784855 797446613 /nfs/dbraw/zinc/44/66/13/797446613.db2.gz RSRUCBPYYIJLTH-UHFFFAOYSA-N -2 3 308.166 2.060 20 0 DEADHL O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(F)c(F)c1[O-] ZINC001192784855 797446617 /nfs/dbraw/zinc/44/66/17/797446617.db2.gz RSRUCBPYYIJLTH-UHFFFAOYSA-N -2 3 308.166 2.060 20 0 DEADHL CCC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195187825 797846138 /nfs/dbraw/zinc/84/61/38/797846138.db2.gz YBXCGKNHXSOSRO-UHFFFAOYSA-N -2 3 307.318 2.130 20 0 DEADHL O=P([O-])([O-])CCCCNC(=S)Nc1ccc(F)cc1 ZINC001196957899 798131129 /nfs/dbraw/zinc/13/11/29/798131129.db2.gz JWVRLYBQGVMQRF-UHFFFAOYSA-N -2 3 306.299 2.070 20 0 DEADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cccnc1Cl ZINC001198730831 798383199 /nfs/dbraw/zinc/38/31/99/798383199.db2.gz XNFAJCWBRKSKLF-UHFFFAOYSA-N -2 3 312.734 2.234 20 0 DEADHL COc1cccc(C(=O)Nc2ccc(C(=O)[O-])c(OC)c2)c1[O-] ZINC000323257892 970983127 /nfs/dbraw/zinc/98/31/27/970983127.db2.gz BAVVALNIJAEDPC-UHFFFAOYSA-N -2 3 317.297 2.360 20 0 DEADHL CC(=O)c1ccc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1[O-] ZINC001602772634 971504709 /nfs/dbraw/zinc/50/47/09/971504709.db2.gz NCBRKXUHZCYNQH-ZDUSSCGKSA-N -2 3 319.357 2.454 20 0 DEADHL CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC001596512570 984287108 /nfs/dbraw/zinc/28/71/08/984287108.db2.gz SDMWVAFFCJLUJI-UHFFFAOYSA-N -2 3 324.333 2.088 20 0 DEADHL Cc1n[n-]cc1C(=O)O[C@@H](C(=O)[O-])[C@@H](C)c1ccccc1F ZINC001599969028 985970137 /nfs/dbraw/zinc/97/01/37/985970137.db2.gz DCENRDZSRJSBCQ-ISVAXAHUSA-N -2 3 306.293 2.271 20 0 DEADHL CC(=O)c1ccc(C(=O)NCc2cccc(C(=O)[O-])c2)cc1[O-] ZINC001589277309 985993463 /nfs/dbraw/zinc/99/34/63/985993463.db2.gz MJTBPZIANQEBOX-UHFFFAOYSA-N -2 3 313.309 2.223 20 0 DEADHL COc1cc(C(=O)[O-])cc(NC(=O)c2ccc(C)cc2[O-])c1O ZINC001599362060 998277139 /nfs/dbraw/zinc/27/71/39/998277139.db2.gz DYWOFQWJVJOTMM-UHFFFAOYSA-N -2 3 317.297 2.365 20 0 DEADHL C[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001594367223 999387448 /nfs/dbraw/zinc/38/74/48/999387448.db2.gz PIMWXFNJPHULGG-VHSXEESVSA-N -2 3 301.364 2.082 20 0 DEADHL C[C@H]1CCN(Cc2nnc(-c3ccccc3[O-])o2)[C@H](C(=O)[O-])C1 ZINC001594426989 999596181 /nfs/dbraw/zinc/59/61/81/999596181.db2.gz LERMRFYLAKBWOZ-JQWIXIFHSA-N -2 3 317.345 2.127 20 0 DEADHL O=C([O-])[C@H](OC(=O)c1cc([O-])cc(Br)c1)C1CC1 ZINC001602598449 1069690206 /nfs/dbraw/zinc/69/02/06/1069690206.db2.gz LQMWKUZMKRGXTE-SNVBAGLBSA-N -2 3 315.119 2.175 20 0 DEADHL Cc1oc(CN(C)C(=O)Cc2ccc([O-])c(F)c2)cc1C(=O)[O-] ZINC001610580879 1078046072 /nfs/dbraw/zinc/04/60/72/1078046072.db2.gz SDEJAJIPHOOTPX-UHFFFAOYSA-N -2 3 321.304 2.332 20 0 DEADHL CCc1ccc(C(=O)N(C)Cc2ccc(C(=O)[O-])cn2)c([O-])c1 ZINC001605804168 1070921010 /nfs/dbraw/zinc/92/10/10/1070921010.db2.gz JHFBNJXPFKVIRM-UHFFFAOYSA-N -2 3 314.341 2.320 20 0 DEADHL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCCC1(F)F ZINC001605886479 1070962835 /nfs/dbraw/zinc/96/28/35/1070962835.db2.gz FAMSZPAZMLZDQU-SNVBAGLBSA-N -2 3 323.317 2.006 20 0 DEADHL CCc1oc(C(=O)[O-])cc1COC(=O)c1cccc2nn[n-]c21 ZINC001605881561 1070962984 /nfs/dbraw/zinc/96/29/84/1070962984.db2.gz QODQFYQNIDLOGH-UHFFFAOYSA-N -2 3 315.285 2.169 20 0 DEADHL CCc1oc(C(=O)[O-])cc1COC(=O)c1cccc2[n-]nnc21 ZINC001605881561 1070962992 /nfs/dbraw/zinc/96/29/92/1070962992.db2.gz QODQFYQNIDLOGH-UHFFFAOYSA-N -2 3 315.285 2.169 20 0 DEADHL CCc1oc(C(=O)[O-])cc1COC(=O)c1cccc2n[n-]nc21 ZINC001605881561 1070963007 /nfs/dbraw/zinc/96/30/07/1070963007.db2.gz QODQFYQNIDLOGH-UHFFFAOYSA-N -2 3 315.285 2.169 20 0 DEADHL COC(=O)c1c(C)c(C)sc1[N-]C(=O)c1cc(C(=O)[O-])no1 ZINC001606528100 1071160254 /nfs/dbraw/zinc/16/02/54/1071160254.db2.gz OYWJEQCDIWEAKH-UHFFFAOYSA-N -2 3 324.314 2.090 20 0 DEADHL O=C([O-])CC[C@H]1CCCN(c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001606959980 1071254842 /nfs/dbraw/zinc/25/48/42/1071254842.db2.gz DWPWUDSTNVRIRP-SNVBAGLBSA-N -2 3 319.340 2.087 20 0 DEADHL O=C([O-])CC[C@H]1CCCN(c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC001606959980 1071254847 /nfs/dbraw/zinc/25/48/47/1071254847.db2.gz DWPWUDSTNVRIRP-SNVBAGLBSA-N -2 3 319.340 2.087 20 0 DEADHL O=C([O-])[C@@H]1CC[C@H](Nc2cccc(C(F)F)c2-c2nnn[n-]2)C1 ZINC001606962377 1071255102 /nfs/dbraw/zinc/25/51/02/1071255102.db2.gz SCDFQBZVRHKBSN-SFYZADRCSA-N -2 3 323.303 2.470 20 0 DEADHL O=C([O-])[C@@H]1CC[C@H](Nc2cccc(C(F)F)c2-c2nn[n-]n2)C1 ZINC001606962377 1071255112 /nfs/dbraw/zinc/25/51/12/1071255112.db2.gz SCDFQBZVRHKBSN-SFYZADRCSA-N -2 3 323.303 2.470 20 0 DEADHL COc1ccc(Cl)cc1C(F)(F)C(=O)[N-]C1(C(=O)[O-])CC1 ZINC001607264377 1071387890 /nfs/dbraw/zinc/38/78/90/1071387890.db2.gz AGCQDPHSPWFDGE-UHFFFAOYSA-N -2 3 319.691 2.174 20 0 DEADHL CS(=O)(=O)[N-]c1ccc(Cl)cc1SCCC(=O)[O-] ZINC001607376541 1071425340 /nfs/dbraw/zinc/42/53/40/1071425340.db2.gz NKNRKZCMCBCLAJ-UHFFFAOYSA-N -2 3 309.796 2.278 20 0 DEADHL O=C(Nc1cc(F)cc(F)c1[O-])c1cc2c(cc1[O-])OCO2 ZINC001630316423 1078337847 /nfs/dbraw/zinc/33/78/47/1078337847.db2.gz RKIUSFQGZACMIY-UHFFFAOYSA-N -2 3 309.224 2.357 20 0 DEADHL CCOc1cccc(F)c1CN[C@H](CCCC(=O)[O-])C(=O)[O-] ZINC001647417264 1074920759 /nfs/dbraw/zinc/92/07/59/1074920759.db2.gz SWHWEBMXAOOSFY-GFCCVEGCSA-N -2 3 313.325 2.022 20 0 DEADHL CC(=O)c1cccc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)c1 ZINC001588920972 1076469236 /nfs/dbraw/zinc/46/92/36/1076469236.db2.gz GRBOMLGZVQDUKM-UHFFFAOYSA-N -2 3 323.312 2.027 20 0 DEADHL Cc1ccc(C(=O)[O-])cc1NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC001600360475 1077186600 /nfs/dbraw/zinc/18/66/00/1077186600.db2.gz KMEZTUDYCQVPRB-NTEUORMPSA-N -2 3 322.320 2.416 20 0 DEADHL Cc1cccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(O)cc2[O-])c1 ZINC001600516268 1077213889 /nfs/dbraw/zinc/21/38/89/1077213889.db2.gz NLEFDSBCBMELQG-CQSZACIVSA-N -2 3 315.325 2.352 20 0 DEADHL O=C([O-])[C@@H](CC1CC1)[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC001601639011 1077423259 /nfs/dbraw/zinc/42/32/59/1077423259.db2.gz CKWONRUJYDZBEF-SNVBAGLBSA-N -2 3 319.254 2.426 20 0 DEADHL O=C([O-])C12CCC(C(=O)[N-]OCCCC(F)(F)F)(CC1)C2 ZINC001601730660 1077442393 /nfs/dbraw/zinc/44/23/93/1077442393.db2.gz AHICNFSKFBMUGJ-UHFFFAOYSA-N -2 3 309.284 2.412 20 0 DEADHL O=C([O-])CCCO[N-]C(=O)Cc1c(Cl)cccc1Cl ZINC001601995286 1077491532 /nfs/dbraw/zinc/49/15/32/1077491532.db2.gz ODBVHFLKJVAALB-UHFFFAOYSA-N -2 3 306.145 2.449 20 0 DEADHL O=C([O-])c1cc([N-]C(=O)C(F)(F)c2c(F)cccc2F)on1 ZINC001602278360 1077540546 /nfs/dbraw/zinc/54/05/46/1077540546.db2.gz DRUNSXMUBQIKFG-UHFFFAOYSA-N -2 3 318.182 2.382 20 0 DEADHL O=C([O-])[C@@H](OC(=O)c1cccc2nn[n-]c21)c1ccc(F)cc1 ZINC001609012069 1077740606 /nfs/dbraw/zinc/74/06/06/1077740606.db2.gz PQXHHBVKYXKCEO-ZDUSSCGKSA-N -2 3 315.260 2.080 20 0 DEADHL O=C([O-])[C@@H](OC(=O)c1cccc2n[n-]nc21)c1ccc(F)cc1 ZINC001609012069 1077740608 /nfs/dbraw/zinc/74/06/08/1077740608.db2.gz PQXHHBVKYXKCEO-ZDUSSCGKSA-N -2 3 315.260 2.080 20 0 DEADHL CC(C)[C@H](Nc1nc(C(C)(C)C)ccc1-c1nnn[n-]1)C(=O)[O-] ZINC001609104239 1077762364 /nfs/dbraw/zinc/76/23/64/1077762364.db2.gz AAUNSKBWAMRABM-NSHDSACASA-N -2 3 318.381 2.080 20 0 DEADHL CC(C)[C@H](Nc1nc(C(C)(C)C)ccc1-c1nn[n-]n1)C(=O)[O-] ZINC001609104239 1077762366 /nfs/dbraw/zinc/76/23/66/1077762366.db2.gz AAUNSKBWAMRABM-NSHDSACASA-N -2 3 318.381 2.080 20 0 DEADHL CCc1nc(NC(=O)Cc2ccc([O-])c(F)c2)sc1C(=O)[O-] ZINC001610071135 1077975449 /nfs/dbraw/zinc/97/54/49/1077975449.db2.gz YJJDVWXAVSAHIP-UHFFFAOYSA-N -2 3 324.333 2.430 20 0 DEADHL CCOC(=O)c1ncc(NC(=O)c2ccc(Cl)c([O-])c2)[n-]1 ZINC001412406189 1091374916 /nfs/dbraw/zinc/37/49/16/1091374916.db2.gz JNKHYJZLDVMLRX-UHFFFAOYSA-N -2 3 309.709 2.198 20 0 DEADHL CCOC(=O)c1nc(NC(=O)c2ccc(Cl)c([O-])c2)c[n-]1 ZINC001412406189 1091374933 /nfs/dbraw/zinc/37/49/33/1091374933.db2.gz JNKHYJZLDVMLRX-UHFFFAOYSA-N -2 3 309.709 2.198 20 0 DEADHL CN(C)Cc1cncc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242163363 1139881112 /nfs/dbraw/zinc/88/11/12/1139881112.db2.gz VXFFXIVSSWRXMX-UHFFFAOYSA-N -2 3 300.314 2.207 20 0 DEADHL O=C([O-])c1cc(-c2cncc(-c3nnn[n-]3)c2)c(F)cc1Cl ZINC001244613367 1140388733 /nfs/dbraw/zinc/38/87/33/1140388733.db2.gz LEWJXOSPBCJRJO-UHFFFAOYSA-N -2 3 319.683 2.419 20 0 DEADHL O=C([O-])c1cc(-c2cncc(-c3nn[n-]n3)c2)c(F)cc1Cl ZINC001244613367 1140388743 /nfs/dbraw/zinc/38/87/43/1140388743.db2.gz LEWJXOSPBCJRJO-UHFFFAOYSA-N -2 3 319.683 2.419 20 0 DEADHL COC(=O)c1nc2nc(-c3cccc(C(=O)[O-])c3C)ccc2[n-]1 ZINC001245299775 1140603349 /nfs/dbraw/zinc/60/33/49/1140603349.db2.gz KMKCEPMRJAIILX-UHFFFAOYSA-N -2 3 311.297 2.418 20 0 DEADHL COC(=O)c1nc2ccc(-c3cccc(C(=O)[O-])c3C)[n-]c-2n1 ZINC001245299775 1140603364 /nfs/dbraw/zinc/60/33/64/1140603364.db2.gz KMKCEPMRJAIILX-UHFFFAOYSA-N -2 3 311.297 2.418 20 0 DEADHL CC(=O)c1cccc([O-])c1[N-]S(=O)(=O)CCC(F)(F)F ZINC001259872297 1144150442 /nfs/dbraw/zinc/15/04/42/1144150442.db2.gz NUFAOJLXIQEUDL-UHFFFAOYSA-N -2 3 311.281 2.289 20 0 DEADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1cccs1)CC(=O)[O-] ZINC000088273813 185244500 /nfs/dbraw/zinc/24/45/00/185244500.db2.gz QMJVWVPPHDPGBP-JTQLQIEISA-N -2 3 305.421 2.163 20 0 DEADHL CCn1nccc1C=CC(=O)[N-]N=c1cnc2ccccc2[n-]1 ZINC000163568872 539601428 /nfs/dbraw/zinc/60/14/28/539601428.db2.gz MVJVODGKQCHKRI-BQYQJAHWSA-N -2 3 308.345 2.003 20 0 DEADHL C[C@@H](CCC[N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000159671842 186134828 /nfs/dbraw/zinc/13/48/28/186134828.db2.gz GIRBBRGXOUZHQT-QMMMGPOBSA-N -2 3 323.773 2.258 20 0 DEADHL O=C(NC1(c2nnn[n-]2)CCCC1)c1cc([O-])c2ccccc2c1 ZINC000349893630 540032182 /nfs/dbraw/zinc/03/21/82/540032182.db2.gz NSULINXNPVWOMR-UHFFFAOYSA-N -2 3 323.356 2.258 20 0 DEADHL O=C(NC1(c2nn[n-]n2)CCCC1)c1cc([O-])c2ccccc2c1 ZINC000349893630 540032185 /nfs/dbraw/zinc/03/21/85/540032185.db2.gz NSULINXNPVWOMR-UHFFFAOYSA-N -2 3 323.356 2.258 20 0 DEADHL Cc1cccc(S(=O)(=O)[N-][C@H](C)[C@H](C(=O)[O-])C(C)C)c1F ZINC000399522176 283153452 /nfs/dbraw/zinc/15/34/52/283153452.db2.gz REDUKJRHNGEKSD-ZYHUDNBSSA-N -2 3 317.382 2.158 20 0 DEADHL CC(C)CCC[C@@H](C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000578354358 356803867 /nfs/dbraw/zinc/80/38/67/356803867.db2.gz YYQBFGZOZQPHEF-SECBINFHSA-N -2 3 320.436 2.334 20 0 DEADHL O=C(CNC(=O)c1cccc([O-])c1)Nc1cccc(Cl)c1[O-] ZINC000427634180 236984457 /nfs/dbraw/zinc/98/44/57/236984457.db2.gz QIWHSCVMSZAHKB-UHFFFAOYSA-N -2 3 320.732 2.120 20 0 DEADHL O=C([O-])c1cnc(C=Cc2cnn(Cc3ccccc3)c2)[n-]c1=O ZINC000670369978 540926639 /nfs/dbraw/zinc/92/66/39/540926639.db2.gz OMVZHSOXEWIYKE-VOTSOKGWSA-N -2 3 322.324 2.296 20 0 DEADHL CCOc1cc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)ccc1OC ZINC000670369991 540926781 /nfs/dbraw/zinc/92/67/81/540926781.db2.gz PPTVNLQUUKOCFI-ALCCZGGFSA-N -2 3 316.313 2.458 20 0 DEADHL CC[C@H](CC[N-]S(=O)(=O)c1ccc(C)c(F)c1F)C(=O)[O-] ZINC000629304763 367157263 /nfs/dbraw/zinc/15/72/63/367157263.db2.gz UQFGDFNLZYYTPR-SECBINFHSA-N -2 3 321.345 2.052 20 0 DEADHL Cc1oc(S(=O)(=O)[N-]C[C@H]2CCCC23CC3)cc1C(=O)[O-] ZINC000629346073 367168743 /nfs/dbraw/zinc/16/87/43/367168743.db2.gz ASLKNQPCGDLZDM-SNVBAGLBSA-N -2 3 313.375 2.145 20 0 DEADHL C[C@H](CC[N-]S(=O)(=O)c1ccc(F)cc1Cl)CC(=O)[O-] ZINC000275043004 212090686 /nfs/dbraw/zinc/09/06/86/212090686.db2.gz RHOPLIRVRQCLGQ-MRVPVSSYSA-N -2 3 323.773 2.258 20 0 DEADHL Cc1cccc(S(=O)(=O)[N-]C(C)(C)C[C@H](C)C(=O)[O-])c1F ZINC000275027265 212081147 /nfs/dbraw/zinc/08/11/47/212081147.db2.gz BYWSCUYYTVYDCU-JTQLQIEISA-N -2 3 317.382 2.302 20 0 DEADHL CC1(C)CCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000094324813 193359109 /nfs/dbraw/zinc/35/91/09/193359109.db2.gz FZCMIDBQJOAGOP-GFCCVEGCSA-N -2 3 315.366 2.381 20 0 DEADHL O=C(CNC(=O)c1ccc([O-])cc1)Nc1ccc(Cl)cc1[O-] ZINC000533616123 284801996 /nfs/dbraw/zinc/80/19/96/284801996.db2.gz FGLLDGHANCXCMJ-UHFFFAOYSA-N -2 3 320.732 2.120 20 0 DEADHL Cc1cc(F)cc2c(=O)c(C(=O)Nc3ncccc3[O-])c[n-]c12 ZINC000155023678 197014181 /nfs/dbraw/zinc/01/41/81/197014181.db2.gz KGSCUMZCQSRAGF-UHFFFAOYSA-N -2 3 313.288 2.329 20 0 DEADHL CCc1ncc(S(=O)(=O)[N-]c2cccc([O-])c2F)s1 ZINC000545181602 285394307 /nfs/dbraw/zinc/39/43/07/285394307.db2.gz YHIJOVZRKSXWCD-UHFFFAOYSA-N -2 3 302.352 2.351 20 0 DEADHL CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cnc(C)s1)C(=O)[O-] ZINC000548263213 285707436 /nfs/dbraw/zinc/70/74/36/285707436.db2.gz TXRREMCRKPDQRS-WPRPVWTQSA-N -2 3 320.436 2.009 20 0 DEADHL CC(C)CC(C)(C)C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000564326225 292091839 /nfs/dbraw/zinc/09/18/39/292091839.db2.gz GURQEBJCEOJQEG-UHFFFAOYSA-N -2 3 320.436 2.192 20 0 DEADHL Cc1cc([O-])c2nc(/C=C/c3cn(CC(=O)[O-])nn3)ccc2c1 ZINC000191379178 145057456 /nfs/dbraw/zinc/05/74/56/145057456.db2.gz CJPVFYBWGBABRN-SNAWJCMRSA-N -2 3 310.313 2.095 20 0 DEADHL Cc1nc(C=Cc2ccc3c(c2)CCO3)[n-]c(=O)c1CC(=O)[O-] ZINC000349107733 146351177 /nfs/dbraw/zinc/35/11/77/146351177.db2.gz KJWRUQFJOMVPEA-HWKANZROSA-N -2 3 312.325 2.223 20 0 DEADHL CCC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000036838190 401908317 /nfs/dbraw/zinc/90/83/17/401908317.db2.gz ZNXDWYBXSQXAMX-VIFPVBQESA-N -2 3 309.746 2.011 20 0 DEADHL CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134681988 401911225 /nfs/dbraw/zinc/91/12/25/401911225.db2.gz RCKWZPOUKRPILM-DTWKUNHWSA-N -2 3 318.420 2.088 20 0 DEADHL O=C([O-])c1csc(S(=O)(=O)[N-]C[C@@H]2CC=CCC2)c1 ZINC000045630293 401959584 /nfs/dbraw/zinc/95/95/84/401959584.db2.gz KOALNCJXGAQYAF-SECBINFHSA-N -2 3 301.389 2.081 20 0 DEADHL CC[C@](C)(C[N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000211120238 402278530 /nfs/dbraw/zinc/27/85/30/402278530.db2.gz MVWOPKOXFSXOFM-GFCCVEGCSA-N -2 3 323.773 2.258 20 0 DEADHL Cc1oc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC000566559624 292252028 /nfs/dbraw/zinc/25/20/28/292252028.db2.gz NSJHHJFHWNJDLM-MWLCHTKSSA-N -2 3 315.391 2.391 20 0 DEADHL CCCc1nc(=NC(=O)c2cc(-c3ccco3)n[n-]2)s[n-]1 ZINC000338768099 404532606 /nfs/dbraw/zinc/53/26/06/404532606.db2.gz FDJSFKVZZZSAPM-UHFFFAOYSA-N -2 3 303.347 2.148 20 0 DEADHL CCCc1nc(=NC(=O)c2cc(-c3ccco3)[n-]n2)s[n-]1 ZINC000338768099 404532612 /nfs/dbraw/zinc/53/26/12/404532612.db2.gz FDJSFKVZZZSAPM-UHFFFAOYSA-N -2 3 303.347 2.148 20 0 DEADHL Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(=O)[O-])C2)c(F)c1 ZINC000404961719 405069097 /nfs/dbraw/zinc/06/90/97/405069097.db2.gz CKQRHBDBVITBQC-WDEREUQCSA-N -2 3 315.366 2.056 20 0 DEADHL CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccccc2[O-])c1 ZINC000436692479 405124237 /nfs/dbraw/zinc/12/42/37/405124237.db2.gz NLADTGMRUKLZHZ-UHFFFAOYSA-N -2 3 321.354 2.144 20 0 DEADHL Cc1ccc(C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)c([O-])c1 ZINC000436690502 405124806 /nfs/dbraw/zinc/12/48/06/405124806.db2.gz RAGNUCLWRQFQBP-UHFFFAOYSA-N -2 3 310.313 2.444 20 0 DEADHL Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H](C)C(=O)[O-])o1 ZINC000580427662 405613309 /nfs/dbraw/zinc/61/33/09/405613309.db2.gz IYJYCNFHOQRKMV-FZMZJTMJSA-N -2 3 323.370 2.328 20 0 DEADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)CC2CCC2)cc1C(=O)[O-] ZINC000634654301 406209932 /nfs/dbraw/zinc/20/99/32/406209932.db2.gz DLNFIZVSWPBQRA-QMMMGPOBSA-N -2 3 301.364 2.143 20 0 DEADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](C)CCCCC(=O)[O-])c1 ZINC000547569638 406422409 /nfs/dbraw/zinc/42/24/09/406422409.db2.gz RCFGNJBWKQTQRY-NSHDSACASA-N -2 3 317.382 2.446 20 0 DEADHL CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000548265449 406494386 /nfs/dbraw/zinc/49/43/86/406494386.db2.gz BIYFRVDXRAKUAM-NXEZZACHSA-N -2 3 305.421 2.306 20 0 DEADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC000572517491 406685956 /nfs/dbraw/zinc/68/59/56/406685956.db2.gz UUTMEAMSWXUKBQ-PSASIEDQSA-N -2 3 301.364 2.143 20 0 DEADHL CC(C)[C@@H](CNC(=O)c1c[n-]c2ccccc2c1=O)C(=O)[O-] ZINC000315879542 424896850 /nfs/dbraw/zinc/89/68/50/424896850.db2.gz JRYFQRPXNJDNMT-LLVKDONJSA-N -2 3 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COc1ccc(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)c([O-])c1 ZINC000320237485 950978801 /nfs/dbraw/zinc/97/88/01/950978801.db2.gz FYGAQXVVCDLQQI-KRWDZBQOSA-N -2 3 315.325 2.131 20 0 DEADHL O=C([O-])CC[C@@H]1CCCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC001595015480 951282154 /nfs/dbraw/zinc/28/21/54/951282154.db2.gz BTTCHLXYUZJUGG-NSHDSACASA-N -2 3 324.352 2.318 20 0 DEADHL C[C@@H](CNC(=O)c1cc(Cc2ccccc2)ccc1[O-])C(=O)[O-] ZINC001589064434 955743104 /nfs/dbraw/zinc/74/31/04/955743104.db2.gz NRXXFBKWLIPFQU-LBPRGKRZSA-N -2 3 313.353 2.434 20 0 DEADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C1CC1 ZINC001259221329 960681834 /nfs/dbraw/zinc/68/18/34/960681834.db2.gz BNQWJUZMTKNSEJ-LURJTMIESA-N -2 3 321.757 2.254 20 0 DEADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])cc2)c1 ZINC000315927757 963954806 /nfs/dbraw/zinc/95/48/06/963954806.db2.gz WWRRJGQNJOXECQ-UHFFFAOYSA-N -2 3 321.354 2.259 20 0 DEADHL O=C([O-])c1cc(NC(=O)c2c[n-]c3ccccc3c2=O)ccn1 ZINC000320527654 968007519 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Cc1cccc(F)c1S(=O)(=O)[N-][C@H](CC(C)(C)C)C(=O)[O-] ZINC000548549474 285757867 /nfs/dbraw/zinc/75/78/67/285757867.db2.gz WFIGYJURDUSTTI-LLVKDONJSA-N -2 3 317.382 2.302 20 0 DEADHL CC[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000564922735 292121132 /nfs/dbraw/zinc/12/11/32/292121132.db2.gz CIJKZMPGLYZYJZ-LLVKDONJSA-N -2 3 323.370 2.450 20 0 DEADHL C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000013307066 401798984 /nfs/dbraw/zinc/79/89/84/401798984.db2.gz ZQFCPDQCHQXVHW-WPRPVWTQSA-N -2 3 303.405 2.303 20 0 DEADHL C[C@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C1CCCCC1 ZINC000134704578 401911731 /nfs/dbraw/zinc/91/17/31/401911731.db2.gz FJQBPUVYWKWMOB-QMMMGPOBSA-N -2 3 318.420 2.088 20 0 DEADHL Cc1ccc(C(=O)NCCc2n[n-]c(=S)n2C2CC2)c([O-])c1 ZINC000067119306 402152749 /nfs/dbraw/zinc/15/27/49/402152749.db2.gz HTTIWFLFXDNSDD-UHFFFAOYSA-N -2 3 318.402 2.262 20 0 DEADHL O=C([O-])CC[C@@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccccc1 ZINC000193456289 402771512 /nfs/dbraw/zinc/77/15/12/402771512.db2.gz WOGGVGDCRHHXEX-CYBMUJFWSA-N -2 3 324.340 2.294 20 0 DEADHL O=C(Nc1cc(Cl)cc(Br)c1[O-])c1nc[n-]n1 ZINC000340334059 403582131 /nfs/dbraw/zinc/58/21/31/403582131.db2.gz LPOMHIXFVSHSQC-UHFFFAOYSA-N -2 3 317.530 2.179 20 0 DEADHL Cc1cccc(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)c1F ZINC000313203683 403978285 /nfs/dbraw/zinc/97/82/85/403978285.db2.gz DMBGMFNITIPXFF-UHFFFAOYSA-N -2 3 315.366 2.057 20 0 DEADHL CC[C@@H](CC[N-]S(=O)(=O)c1cc(F)c(C)cc1F)C(=O)[O-] ZINC000296866923 404349039 /nfs/dbraw/zinc/34/90/39/404349039.db2.gz DQCSORLPALVTCU-VIFPVBQESA-N -2 3 321.345 2.052 20 0 DEADHL CC[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000414340476 404582071 /nfs/dbraw/zinc/58/20/71/404582071.db2.gz UKHMVDWSZCSBRJ-ZJUUUORDSA-N -2 3 315.366 2.157 20 0 DEADHL COC(=O)c1ccc([O-])c(NC(=O)c2cccc(C)c2[O-])c1 ZINC000436504604 405091949 /nfs/dbraw/zinc/09/19/49/405091949.db2.gz NLEIVFFPIIXULW-UHFFFAOYSA-N -2 3 301.298 2.445 20 0 DEADHL Cc1ncc(CNC(=O)c2ccc3ccccc3c2[O-])c(=O)[n-]1 ZINC000436830670 405147381 /nfs/dbraw/zinc/14/73/81/405147381.db2.gz WAFJTAOWZGZFID-UHFFFAOYSA-N -2 3 309.325 2.279 20 0 DEADHL COc1cccc(C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1[O-] ZINC000455793497 405451192 /nfs/dbraw/zinc/45/11/92/405451192.db2.gz OAWQXAKLUFNXQF-LLVKDONJSA-N -2 3 309.362 2.410 20 0 DEADHL COc1ccc(OCCS(=O)(=O)[N-]c2ccccc2[O-])cc1 ZINC000433809416 405986636 /nfs/dbraw/zinc/98/66/36/405986636.db2.gz JUKDFHCZNIHGOK-UHFFFAOYSA-N -2 3 323.370 2.222 20 0 DEADHL CCc1cc(=O)[n-]c(-c2ccc(SCCC(=O)[O-])nc2)n1 ZINC000567981214 406172407 /nfs/dbraw/zinc/17/24/07/406172407.db2.gz AVRWJRCBSHHIMD-UHFFFAOYSA-N -2 3 305.359 2.373 20 0 DEADHL C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000568997240 292383042 /nfs/dbraw/zinc/38/30/42/292383042.db2.gz IRYYBNBXSNQXFY-VHSXEESVSA-N -2 3 301.364 2.082 20 0 DEADHL O=C([O-])c1coc(C[N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000570152712 406352277 /nfs/dbraw/zinc/35/22/77/406352277.db2.gz FBEHIGDKLUUUTE-UHFFFAOYSA-N -2 3 315.734 2.110 20 0 DEADHL O=C([O-])[C@@H]1CC[C@H](NCc2cccc([O-])c2Br)C1 ZINC000647468504 407004075 /nfs/dbraw/zinc/00/40/75/407004075.db2.gz QBADOTRILDDSSK-SCZZXKLOSA-N -2 3 314.179 2.498 20 0 DEADHL CCc1cc(=O)[n-]c(CN2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)n1 ZINC000656765337 425185971 /nfs/dbraw/zinc/18/59/71/425185971.db2.gz KHDAGGHNHXENNZ-HZSPNIEDSA-N -2 3 319.405 2.210 20 0 DEADHL CC(C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1)C(=O)[O-] ZINC000653492439 425158961 /nfs/dbraw/zinc/15/89/61/425158961.db2.gz MLVVBHCYUWIYKT-VIFPVBQESA-N -2 3 323.773 2.114 20 0 DEADHL Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)c2ccccc2)o1 ZINC000656519192 425785949 /nfs/dbraw/zinc/78/59/49/425785949.db2.gz GVDNZJQIDVOJHH-RISCZKNCSA-N -2 3 323.370 2.123 20 0 DEADHL CO[C@@H](CS(=O)(=O)[N-]c1cccc([O-])c1F)C1CCCC1 ZINC000656625859 425804360 /nfs/dbraw/zinc/80/43/60/425804360.db2.gz FSVHQISZRZPBAC-ZDUSSCGKSA-N -2 3 317.382 2.478 20 0 DEADHL C[C@@H](CC(=O)[O-])NC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000455746528 269144613 /nfs/dbraw/zinc/14/46/13/269144613.db2.gz FHNJFXOVCTWJNE-LURJTMIESA-N -2 3 313.766 2.385 20 0 DEADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C)C(F)F ZINC000573211451 326033736 /nfs/dbraw/zinc/03/37/36/326033736.db2.gz QGJYQTVNXOGARS-LURJTMIESA-N -2 3 313.347 2.077 20 0 DEADHL Cc1cccc(C)c1CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000573717813 326085475 /nfs/dbraw/zinc/08/54/75/326085475.db2.gz DGOUBHWFGQKXIQ-UHFFFAOYSA-N -2 3 323.370 2.116 20 0 DEADHL Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCCCC[C@H]2C(=O)[O-])o1 ZINC000577106518 326343202 /nfs/dbraw/zinc/34/32/02/326343202.db2.gz IQPVUKVXGVBCFS-VXGBXAGGSA-N -2 3 315.391 2.290 20 0 DEADHL CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000037041411 337363024 /nfs/dbraw/zinc/36/30/24/337363024.db2.gz YPCQOWRSYWMWPC-NXEZZACHSA-N -2 3 301.364 2.225 20 0 DEADHL COc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1F ZINC000349102852 536612850 /nfs/dbraw/zinc/61/28/50/536612850.db2.gz BKOHDLVYNFUTPB-XQRVVYSFSA-N -2 3 318.304 2.436 20 0 DEADHL O=C([O-])c1ccnc(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000321814902 600425191 /nfs/dbraw/zinc/42/51/91/600425191.db2.gz DBCYENKEXDZJBP-UHFFFAOYSA-N -2 3 309.281 2.286 20 0 DEADHL Cc1oc(S(=O)(=O)[N-]C2C[C@@H](C)C[C@H](C)C2)cc1C(=O)[O-] ZINC000833029127 601222904 /nfs/dbraw/zinc/22/29/04/601222904.db2.gz YSASNSNTSJHPFA-IUCAKERBSA-N -2 3 315.391 2.389 20 0 DEADHL C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000071207683 601234192 /nfs/dbraw/zinc/23/41/92/601234192.db2.gz KGLBTONJQFOKPD-IONNQARKSA-N -2 3 319.329 2.130 20 0 DEADHL C/C(=C\COC(=O)c1cccc(Br)c1[O-])C(=O)[O-] ZINC000825781244 601425067 /nfs/dbraw/zinc/42/50/67/601425067.db2.gz SNSGUAIBHAZLOB-FNORWQNLSA-N -2 3 315.119 2.342 20 0 DEADHL Cc1ccc(C(=O)N(CCC(=O)[O-])Cc2ccncc2)c([O-])c1 ZINC000832912596 601559043 /nfs/dbraw/zinc/55/90/43/601559043.db2.gz UHWYDZUMUPSUQA-UHFFFAOYSA-N -2 3 314.341 2.213 20 0 DEADHL C[C@@H](CC(=O)Nc1cc(Br)ccc1[O-])NC(=O)[O-] ZINC000824678556 604097569 /nfs/dbraw/zinc/09/75/69/604097569.db2.gz BVJRPEOVTCXGKJ-LURJTMIESA-N -2 3 317.139 2.139 20 0 DEADHL CCCN(C(=O)c1ccccc1[O-])C1CCN(C(=O)[O-])CC1 ZINC000833853828 605656775 /nfs/dbraw/zinc/65/67/75/605656775.db2.gz NIDGPAJZDXIYEO-UHFFFAOYSA-N -2 3 306.362 2.387 20 0 DEADHL O=C([O-])Nc1ccccc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000740055300 605676963 /nfs/dbraw/zinc/67/69/63/605676963.db2.gz ATFWVPMCEQJHPT-UHFFFAOYSA-N -2 3 324.300 2.209 20 0 DEADHL O=C([O-])Nc1ccccc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000740055300 605676966 /nfs/dbraw/zinc/67/69/66/605676966.db2.gz ATFWVPMCEQJHPT-UHFFFAOYSA-N -2 3 324.300 2.209 20 0 DEADHL Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)ccc1C(=O)[O-] ZINC000392138669 607109922 /nfs/dbraw/zinc/10/99/22/607109922.db2.gz PZTXUAYBHDVUPJ-UHFFFAOYSA-N -2 3 323.312 2.126 20 0 DEADHL Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)ccc1C(=O)[O-] ZINC000392138669 607109923 /nfs/dbraw/zinc/10/99/23/607109923.db2.gz PZTXUAYBHDVUPJ-UHFFFAOYSA-N -2 3 323.312 2.126 20 0 DEADHL O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1cc([O-])ccc1Cl ZINC000236437787 625127614 /nfs/dbraw/zinc/12/76/14/625127614.db2.gz PZDSBMIXSILHIU-JQEORGNBSA-N -2 3 309.749 2.371 20 0 DEADHL O=C([O-])[C@@H]1CC[C@@H]1NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000923140076 636987283 /nfs/dbraw/zinc/98/72/83/636987283.db2.gz RKAPGYKEHNZPIY-ZJUUUORDSA-N -2 3 303.236 2.004 20 0 DEADHL C[C@@H](C(=O)[O-])[C@H](C)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000909650743 639562845 /nfs/dbraw/zinc/56/28/45/639562845.db2.gz XFVJOIIGMKADSH-RQJHMYQMSA-N -2 3 305.252 2.250 20 0 DEADHL C[C@@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)[C@@H](C)C(=O)[O-] ZINC000909650742 639562969 /nfs/dbraw/zinc/56/29/69/639562969.db2.gz XFVJOIIGMKADSH-RNFRBKRXSA-N -2 3 305.252 2.250 20 0 DEADHL COCc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])cc1 ZINC000766584775 640896240 /nfs/dbraw/zinc/89/62/40/640896240.db2.gz LDVQOBVGKQUPEH-UHFFFAOYSA-N -2 3 323.370 2.348 20 0 DEADHL CC[C@@H](NCc1cc(F)cc(F)c1[O-])c1nc(C(=O)[O-])c[nH]1 ZINC000904065919 643558971 /nfs/dbraw/zinc/55/89/71/643558971.db2.gz VZIQYAFMICWQQY-SNVBAGLBSA-N -2 3 311.288 2.333 20 0 DEADHL O=C([O-])CCCc1ccccc1[N-]S(=O)(=O)CC1(F)CC1 ZINC000905995841 644110521 /nfs/dbraw/zinc/11/05/21/644110521.db2.gz VEONYUHPCJDOML-UHFFFAOYSA-N -2 3 315.366 2.338 20 0 DEADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2F)c1 ZINC000907016654 644420008 /nfs/dbraw/zinc/42/00/08/644420008.db2.gz KTPRKGGSZWXACJ-RKDXNWHRSA-N -2 3 307.368 2.005 20 0 DEADHL CCC[C@@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)C(=O)[O-] ZINC000908009130 644720155 /nfs/dbraw/zinc/72/01/55/644720155.db2.gz VSAQVJJVYBYLSK-SNVBAGLBSA-N -2 3 305.252 2.394 20 0 DEADHL COCCN(CCC(=O)[O-])C(=O)c1cc([O-])c2ccccc2c1 ZINC000908960212 645055088 /nfs/dbraw/zinc/05/50/88/645055088.db2.gz ZIWSFIJSRXFQQN-UHFFFAOYSA-N -2 3 317.341 2.109 20 0 DEADHL CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000909047057 645078962 /nfs/dbraw/zinc/07/89/62/645078962.db2.gz DKIVOHFTUMTVCL-LBPRGKRZSA-N -2 3 312.341 2.172 20 0 DEADHL O=C([O-])[C@]1(F)CCN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000909308661 645169773 /nfs/dbraw/zinc/16/97/73/645169773.db2.gz WJMPWZYGAFCGGT-LBPRGKRZSA-N -2 3 321.226 2.050 20 0 DEADHL O=C(Nc1ncccc1[O-])c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000063809062 646790314 /nfs/dbraw/zinc/79/03/14/646790314.db2.gz KMPBQKYKQWCAGI-UHFFFAOYSA-N -2 3 314.326 2.351 20 0 DEADHL O=C([N-]OCCCC(F)(F)F)c1cc(=O)[n-]c(C2CC2)n1 ZINC000871216407 688751872 /nfs/dbraw/zinc/75/18/72/688751872.db2.gz RNKBWWKRWSAGSL-UHFFFAOYSA-N -2 3 305.256 2.064 20 0 DEADHL CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871994341 688909511 /nfs/dbraw/zinc/90/95/11/688909511.db2.gz XZJLCCQLIHZFRK-MWLCHTKSSA-N -2 3 301.364 2.225 20 0 DEADHL CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871994340 688909540 /nfs/dbraw/zinc/90/95/40/688909540.db2.gz XZJLCCQLIHZFRK-KOLCDFICSA-N -2 3 301.364 2.225 20 0 DEADHL O=C([O-])c1cc(Nc2cc(=O)[n-]c(C3CC3)n2)cc(C(=O)[O-])c1 ZINC001176236145 794382353 /nfs/dbraw/zinc/38/23/53/794382353.db2.gz DMGNOCZFDALYRS-UHFFFAOYSA-N -3 3 315.285 2.200 20 0 DEADHL O=S(=O)([N-]c1ncc([O-])cc1Cl)c1ccc2n[nH]cc2c1 ZINC001185959519 796344017 /nfs/dbraw/zinc/34/40/17/796344017.db2.gz HDGHUFCHTWDJOT-UHFFFAOYSA-N -2 3 324.749 2.118 20 0 DEADHL CCc1nccc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)n1 ZINC001157157678 798152441 /nfs/dbraw/zinc/15/24/41/798152441.db2.gz ZHLFVIDDLFFALO-UHFFFAOYSA-N -2 3 319.301 2.124 20 0 DEADHL O=C(NCCCCP(=O)([O-])[O-])c1cccc(C2CCC2)n1 ZINC001197875595 798251347 /nfs/dbraw/zinc/25/13/47/798251347.db2.gz ULMIFUVSDZCPDZ-UHFFFAOYSA-N -2 3 312.306 2.037 20 0 DEADHL Cc1ccc(NC(=O)NCCCCP(=O)([O-])[O-])c(C)c1 ZINC001202751749 799428392 /nfs/dbraw/zinc/42/83/92/799428392.db2.gz KZDBLDZSKKMCOK-UHFFFAOYSA-N -2 3 300.295 2.383 20 0 DEADHL Nc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)c([O-])c1 ZINC001211220274 801532445 /nfs/dbraw/zinc/53/24/45/801532445.db2.gz BAWORLDLGXKDIY-UHFFFAOYSA-N -2 3 300.286 2.053 20 0 DEADHL Cc1ccc(OC(C)C)c(COc2[n-]c(=O)nc3cn[n-]c32)c1 ZINC001233938694 802247017 /nfs/dbraw/zinc/24/70/17/802247017.db2.gz DOJPKKUMPILJKD-UHFFFAOYSA-N -2 3 314.345 2.321 20 0 DEADHL Cc1cc(COc2[n-]c(=O)nc3cn[n-]c32)ccc1OC(C)C ZINC001233944472 802248391 /nfs/dbraw/zinc/24/83/91/802248391.db2.gz NPXSIMPOBFCSFK-UHFFFAOYSA-N -2 3 314.345 2.321 20 0 DEADHL C[C@@H](COc1ccccc1)OCCCOCCP(=O)([O-])[O-] ZINC001224601300 802885269 /nfs/dbraw/zinc/88/52/69/802885269.db2.gz FYENRSPASYHNHA-ZDUSSCGKSA-N -2 3 318.306 2.055 20 0 DEADHL CC(C)Oc1cncc(COCCCCP(=O)([O-])[O-])c1 ZINC001225019117 802928435 /nfs/dbraw/zinc/92/84/35/802928435.db2.gz RVLVTMQMMIGRRE-UHFFFAOYSA-N -2 3 303.295 2.343 20 0 DEADHL O=C(c1ccc(O)cc1[O-])c1ccc([O-])cc1OC1CC(=O)C1 ZINC001228122480 803322081 /nfs/dbraw/zinc/32/20/81/803322081.db2.gz NELODXSPZKLAPG-UHFFFAOYSA-N -2 3 314.293 2.145 20 0 DEADHL CCOC(=O)c1ccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC001591176471 951088069 /nfs/dbraw/zinc/08/80/69/951088069.db2.gz QASWRFWXARUNRH-VHSXEESVSA-N -2 3 321.329 2.008 20 0 DEADHL O=C([O-])[C@@H]1CCCN1Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC001595167740 952211682 /nfs/dbraw/zinc/21/16/82/952211682.db2.gz SHEUSUOFNLCNCG-NSHDSACASA-N -2 3 323.732 2.201 20 0 DEADHL CC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259222453 960687481 /nfs/dbraw/zinc/68/74/81/960687481.db2.gz UAGDWIFABKROGG-ZCFIWIBFSA-N -2 3 309.746 2.254 20 0 DEADHL O=C([O-])CCCc1csc(NC(=O)c2c([O-])cccc2O)n1 ZINC000317853809 970391996 /nfs/dbraw/zinc/39/19/96/970391996.db2.gz TUBSAGHUNKRXHM-UHFFFAOYSA-N -2 3 322.342 2.214 20 0 DEADHL C[C@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000710606612 977515023 /nfs/dbraw/zinc/51/50/23/977515023.db2.gz DCBICWMVSRYADY-TVQRCGJNSA-N -2 3 301.364 2.225 20 0 DEADHL CCOc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)CCCCF ZINC001597027714 986437071 /nfs/dbraw/zinc/43/70/71/986437071.db2.gz CNPCXYGNJCUWSY-UHFFFAOYSA-N -2 3 319.354 2.275 20 0 DEADHL CC(C)(C)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001589728814 987935901 /nfs/dbraw/zinc/93/59/01/987935901.db2.gz PAYCURSVAGSGSS-ZJUUUORDSA-N -2 3 315.391 2.471 20 0 DEADHL CC(C)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC001591088681 991623412 /nfs/dbraw/zinc/62/34/12/991623412.db2.gz JULQVRIYWXZJLM-JQWIXIFHSA-N -2 3 315.391 2.471 20 0 DEADHL O=C([O-])c1ccccc1OCCOC(=O)c1ccc([O-])cc1 ZINC001602614540 1069700043 /nfs/dbraw/zinc/70/00/43/1069700043.db2.gz JLMMOKDHWYVCIA-UHFFFAOYSA-N -2 3 302.282 2.326 20 0 DEADHL O=C([O-])[C@@H]1CCCC[C@H]1COC(=O)c1cccc2[n-]nnc21 ZINC001602616256 1069701949 /nfs/dbraw/zinc/70/19/49/1069701949.db2.gz OQJHRDRUCODBDH-VHSXEESVSA-N -2 3 303.318 2.006 20 0 DEADHL O=C([O-])[C@@H]1CCCC[C@H]1COC(=O)c1cccc2n[n-]nc21 ZINC001602616256 1069701960 /nfs/dbraw/zinc/70/19/60/1069701960.db2.gz OQJHRDRUCODBDH-VHSXEESVSA-N -2 3 303.318 2.006 20 0 DEADHL C[C@@H](CC(=O)[O-])Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC001603449692 1069971521 /nfs/dbraw/zinc/97/15/21/1069971521.db2.gz XMTPEIURVBWNBQ-LURJTMIESA-N -2 3 315.255 2.161 20 0 DEADHL C[C@@H](CC(=O)[O-])Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC001603449692 1069971533 /nfs/dbraw/zinc/97/15/33/1069971533.db2.gz XMTPEIURVBWNBQ-LURJTMIESA-N -2 3 315.255 2.161 20 0 DEADHL Cc1cccc([C@@H](C)C(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)c1 ZINC001605907565 1070972237 /nfs/dbraw/zinc/97/22/37/1070972237.db2.gz ZUPRQYLJHCPKST-GFCCVEGCSA-N -2 3 323.356 2.389 20 0 DEADHL Cc1cccc([C@@H](C)C(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)c1 ZINC001605907565 1070972244 /nfs/dbraw/zinc/97/22/44/1070972244.db2.gz ZUPRQYLJHCPKST-GFCCVEGCSA-N -2 3 323.356 2.389 20 0 DEADHL O=C([O-])[C@@H]1CC[C@H](Nc2cc(-c3nnn[n-]3)c3ccccc3n2)C1 ZINC001606962340 1071254282 /nfs/dbraw/zinc/25/42/82/1071254282.db2.gz QHNMJWKLQFVYJW-ZJUUUORDSA-N -2 3 324.344 2.080 20 0 DEADHL O=C([O-])[C@@H]1CC[C@H](Nc2cc(-c3nn[n-]n3)c3ccccc3n2)C1 ZINC001606962340 1071254288 /nfs/dbraw/zinc/25/42/88/1071254288.db2.gz QHNMJWKLQFVYJW-ZJUUUORDSA-N -2 3 324.344 2.080 20 0 DEADHL CSc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@@]2(C)C(=O)[O-])c1 ZINC001574098218 1069152655 /nfs/dbraw/zinc/15/26/55/1069152655.db2.gz ASNKUXYAQXNYLM-IUODEOHRSA-N -2 3 309.387 2.487 20 0 DEADHL CC(=O)c1cc(F)c([O-])c([N-]C(=O)c2nnc(C3CC3)o2)c1 ZINC001645065114 1078873776 /nfs/dbraw/zinc/87/37/76/1078873776.db2.gz VOTAUNKSYRYOJF-UHFFFAOYSA-N -2 3 305.265 2.247 20 0 DEADHL O=C([O-])C[C@@H](CNCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC001647415560 1074920856 /nfs/dbraw/zinc/92/08/56/1074920856.db2.gz YIWSTMBMVMHELN-ZETCQYMHSA-N -2 3 306.145 2.259 20 0 DEADHL COc1cc(C(=O)[N-]c2n[n-]c(-c3ccc(C)o3)n2)sn1 ZINC001558947889 1075109236 /nfs/dbraw/zinc/10/92/36/1075109236.db2.gz GYWFZNNMQMSKMC-UHFFFAOYSA-N -2 3 305.319 2.091 20 0 DEADHL O=C(Nc1ccc(F)cc1-c1nnn[n-]1)c1cccc(F)c1[O-] ZINC001582641807 1076172577 /nfs/dbraw/zinc/17/25/77/1076172577.db2.gz UCSDCZBWZONFFM-UHFFFAOYSA-N -2 3 317.255 2.103 20 0 DEADHL O=C(Nc1ccc(F)cc1-c1nn[n-]n1)c1cccc(F)c1[O-] ZINC001582641807 1076172582 /nfs/dbraw/zinc/17/25/82/1076172582.db2.gz UCSDCZBWZONFFM-UHFFFAOYSA-N -2 3 317.255 2.103 20 0 DEADHL O=C([N-]Oc1cccc(-c2nnn[n-]2)c1)C(F)=C1CCCC1 ZINC001593171470 1076978210 /nfs/dbraw/zinc/97/82/10/1076978210.db2.gz YGXJZMXVGJXDIZ-UHFFFAOYSA-N -2 3 303.297 2.074 20 0 DEADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)C(F)=C1CCCC1 ZINC001593171470 1076978211 /nfs/dbraw/zinc/97/82/11/1076978211.db2.gz YGXJZMXVGJXDIZ-UHFFFAOYSA-N -2 3 303.297 2.074 20 0 DEADHL Cc1cc(C(F)(F)C(=O)[N-]C2(C(=O)[O-])CCC2)cnc1Cl ZINC001600143793 1077145956 /nfs/dbraw/zinc/14/59/56/1077145956.db2.gz OCBRJLAUVFUJQG-UHFFFAOYSA-N -2 3 318.707 2.259 20 0 DEADHL Cc1cc(NC(=O)c2c[n-]c3ccccc3c2=O)ncc1C(=O)[O-] ZINC001600273492 1077174173 /nfs/dbraw/zinc/17/41/73/1077174173.db2.gz SBFJMAULYUOFBL-UHFFFAOYSA-N -2 3 323.308 2.182 20 0 DEADHL Cc1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc1C(=O)[O-] ZINC001600344299 1077183924 /nfs/dbraw/zinc/18/39/24/1077183924.db2.gz SOMUODAALNVGQW-UHFFFAOYSA-N -2 3 323.312 2.126 20 0 DEADHL Cc1ccc(C(=O)Nc2ccccc2-c2nn[n-]n2)cc1C(=O)[O-] ZINC001600344299 1077183927 /nfs/dbraw/zinc/18/39/27/1077183927.db2.gz SOMUODAALNVGQW-UHFFFAOYSA-N -2 3 323.312 2.126 20 0 DEADHL O=C([O-])CCCC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC001601978482 1077487459 /nfs/dbraw/zinc/48/74/59/1077487459.db2.gz DAJJXZILJJEAEC-UHFFFAOYSA-N -2 3 314.301 2.411 20 0 DEADHL O=C([O-])[C@@H]([N-]C(=O)C(F)(F)c1nccs1)c1ccccc1 ZINC001608801446 1077697905 /nfs/dbraw/zinc/69/79/05/1077697905.db2.gz VZGAYMVEKLSAAW-VIFPVBQESA-N -2 3 312.297 2.177 20 0 DEADHL CC(=O)c1cccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c1[O-] ZINC001609630178 1077890830 /nfs/dbraw/zinc/89/08/30/1077890830.db2.gz QJXRJAMWPNQAJJ-XYPYZODXSA-N -2 3 305.330 2.424 20 0 DEADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)Cc1ccccc1 ZINC001252893262 1142827944 /nfs/dbraw/zinc/82/79/44/1142827944.db2.gz QOFMPLSWAILBCN-UHFFFAOYSA-N -2 3 321.354 2.121 20 0 DEADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2CC=CCC2)c1F ZINC000088747533 185263782 /nfs/dbraw/zinc/26/37/82/185263782.db2.gz NYXBXQQYMVFRIP-MRVPVSSYSA-N -2 3 317.313 2.050 20 0 DEADHL CC[C@@](C)(C[N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000159672405 186134703 /nfs/dbraw/zinc/13/47/03/186134703.db2.gz NMIMLWIPPCRHLV-LBPRGKRZSA-N -2 3 323.773 2.258 20 0 DEADHL O=C([O-])C1([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCC1 ZINC000164950805 304034002 /nfs/dbraw/zinc/03/40/02/304034002.db2.gz MEPVQOPMKLHJNX-UHFFFAOYSA-N -2 3 324.185 2.279 20 0 DEADHL CCc1ccc([O-])c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000093909661 355691228 /nfs/dbraw/zinc/69/12/28/355691228.db2.gz JEGKDDHYLAMCAD-UHFFFAOYSA-N -2 3 309.329 2.387 20 0 DEADHL Cc1ncc(S(=O)(=O)[N-][C@H](C)CCC[C@H](C)C(=O)[O-])s1 ZINC000230099511 356282897 /nfs/dbraw/zinc/28/28/97/356282897.db2.gz ZBPNPTGJBFAQFW-DTWKUNHWSA-N -2 3 320.436 2.009 20 0 DEADHL O=C([O-])C1CCC(NC(=O)c2c[n-]c3ccccc3c2=O)CC1 ZINC000320018721 356443536 /nfs/dbraw/zinc/44/35/36/356443536.db2.gz MWDXKHYFYYGSNC-UHFFFAOYSA-N -2 3 314.341 2.314 20 0 DEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CC2)o1 ZINC000386444926 356696644 /nfs/dbraw/zinc/69/66/44/356696644.db2.gz TXVAZHSSWUGTCH-CQSZACIVSA-N -2 3 321.354 2.407 20 0 DEADHL O=C([O-])c1coc(S(=O)(=O)[N-]CCCC2CCCC2)c1 ZINC000580831611 357087461 /nfs/dbraw/zinc/08/74/61/357087461.db2.gz DRAMRCDIWSWUIY-UHFFFAOYSA-N -2 3 301.364 2.227 20 0 DEADHL Cc1cc(S(=O)(=O)[N-][C@H](CC2CC2)C(=O)[O-])sc1Cl ZINC000287624346 219635318 /nfs/dbraw/zinc/63/53/18/219635318.db2.gz SSNPGHTUCAHGJF-MRVPVSSYSA-N -2 3 323.823 2.242 20 0 DEADHL COc1ccc(C(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])c([O-])c1 ZINC000622000481 364627639 /nfs/dbraw/zinc/62/76/39/364627639.db2.gz OOYZLQOUSTUYEC-BLLLJJGKSA-N -2 3 307.346 2.164 20 0 DEADHL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000629292181 367153590 /nfs/dbraw/zinc/15/35/90/367153590.db2.gz CKWGXNPZHWJVLR-JTQLQIEISA-N -2 3 313.375 2.002 20 0 DEADHL C[C@@H](CC[N-]S(=O)(=O)c1ccc(Cl)cc1F)CC(=O)[O-] ZINC000274971574 212051434 /nfs/dbraw/zinc/05/14/34/212051434.db2.gz ISFUATKEMMOPDK-QMMMGPOBSA-N -2 3 323.773 2.258 20 0 DEADHL Cc1cc(F)c(S(=O)(=O)[N-]CC[C@H](C)CC(=O)[O-])cc1F ZINC000274966866 212048249 /nfs/dbraw/zinc/04/82/49/212048249.db2.gz IIKFXPBLGXTDQT-QMMMGPOBSA-N -2 3 321.345 2.052 20 0 DEADHL COCc1ccccc1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000540906624 285136291 /nfs/dbraw/zinc/13/62/91/285136291.db2.gz WGBRJWNIRYLFCX-UHFFFAOYSA-N -2 3 311.334 2.479 20 0 DEADHL O=C([O-])c1csc(S(=O)(=O)[N-]C[C@H]2CCCCS2)c1 ZINC000158005364 197234770 /nfs/dbraw/zinc/23/47/70/197234770.db2.gz ROKDIHRBKKKLCI-SECBINFHSA-N -2 3 321.445 2.010 20 0 DEADHL CC(C)(C)CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000123853630 195596294 /nfs/dbraw/zinc/59/62/94/195596294.db2.gz RCRQAHOCYBZTPT-UHFFFAOYSA-N -2 3 303.355 2.238 20 0 DEADHL CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000547932411 285656580 /nfs/dbraw/zinc/65/65/80/285656580.db2.gz BRNAQGWIURXYQF-ZYHUDNBSSA-N -2 3 317.382 2.384 20 0 DEADHL O=S(=O)(CCc1ccc2c(c1)CCO2)[N-]c1ccccc1[O-] ZINC000548653571 285773351 /nfs/dbraw/zinc/77/33/51/285773351.db2.gz JEQBVCJHIKNGHN-UHFFFAOYSA-N -2 3 319.382 2.312 20 0 DEADHL CCC1CCC(NC(=O)c2ccc3n[n-]nc3c2)(C(=O)[O-])CC1 ZINC000262446378 145284116 /nfs/dbraw/zinc/28/41/16/145284116.db2.gz HIMWOGDYXWURCN-UHFFFAOYSA-N -2 3 316.361 2.111 20 0 DEADHL Cc1nn(C(C)C)cc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000349103233 146350564 /nfs/dbraw/zinc/35/05/64/146350564.db2.gz CGVAZZYZPMXBBE-WAYWQWQTSA-N -2 3 316.361 2.374 20 0 DEADHL Cc1nc(C=Cc2c(F)ccc([O-])c2F)[n-]c(=O)c1CC(=O)[O-] ZINC000349115976 146351960 /nfs/dbraw/zinc/35/19/60/146351960.db2.gz YLWJNWHXZUQXIP-DJWKRKHSSA-N -3 3 322.267 2.272 20 0 DEADHL CCC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000036838272 401908574 /nfs/dbraw/zinc/90/85/74/401908574.db2.gz MAOVBNCZPKPXID-QMMMGPOBSA-N -2 3 309.746 2.011 20 0 DEADHL CC(C)(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccs1 ZINC000134700455 401911775 /nfs/dbraw/zinc/91/17/75/401911775.db2.gz USVABHUZIMFJQL-SECBINFHSA-N -2 3 305.421 2.306 20 0 DEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000054504934 402068287 /nfs/dbraw/zinc/06/82/87/402068287.db2.gz QQNUYLHRGQUPEH-JTQLQIEISA-N -2 3 324.185 2.135 20 0 DEADHL O=C(NCc1ccc([O-])c(F)c1)NCc1ccc([O-])c(F)c1 ZINC000163741476 402456249 /nfs/dbraw/zinc/45/62/49/402456249.db2.gz MSGGCSTWVXAOJW-UHFFFAOYSA-N -2 3 308.284 2.375 20 0 DEADHL CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(F)ccc1[O-] ZINC000174895877 402761734 /nfs/dbraw/zinc/76/17/34/402761734.db2.gz CYZSZYBXUIMQKS-UHFFFAOYSA-N -2 3 324.333 2.155 20 0 DEADHL C[C@H]1CCN(C(=O)c2cnc(C(=O)[O-])cn2)c2c([O-])cccc21 ZINC000263465584 402771782 /nfs/dbraw/zinc/77/17/82/402771782.db2.gz WOMZKYVRIITFDB-VIFPVBQESA-N -2 3 313.313 2.034 20 0 DEADHL Cc1oc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC000566559623 292252068 /nfs/dbraw/zinc/25/20/68/292252068.db2.gz NSJHHJFHWNJDLM-KOLCDFICSA-N -2 3 315.391 2.391 20 0 DEADHL CSc1nc([N-]C(=O)c2cc(COC(C)(C)C)on2)n[n-]1 ZINC000274508455 403062805 /nfs/dbraw/zinc/06/28/05/403062805.db2.gz KAHABZUCTMUDTF-UHFFFAOYSA-N -2 3 311.367 2.082 20 0 DEADHL C[C@@H](CCC[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)C(=O)[O-] ZINC000274944916 403098302 /nfs/dbraw/zinc/09/83/02/403098302.db2.gz HABMYUCDKZCRCQ-QMMMGPOBSA-N -2 3 323.773 2.258 20 0 DEADHL O=C(Nc1ncccc1[O-])c1nn(-c2cccc(F)c2)cc1[O-] ZINC000354616762 403908544 /nfs/dbraw/zinc/90/85/44/403908544.db2.gz RHUJDJRYRVATQZ-UHFFFAOYSA-N -2 3 314.276 2.070 20 0 DEADHL CC(C)(CO)O[N-]C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000296220593 404148984 /nfs/dbraw/zinc/14/89/84/404148984.db2.gz FSPNGKXPPNKLDO-UHFFFAOYSA-N -2 3 308.363 2.029 20 0 DEADHL CO[C@@H](C)CS(=O)(=O)[N-]c1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000337875412 404287159 /nfs/dbraw/zinc/28/71/59/404287159.db2.gz UHPJDCCSNKHUKA-QWRGUYRKSA-N -2 3 315.391 2.041 20 0 DEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cn1 ZINC000350972360 404498296 /nfs/dbraw/zinc/49/82/96/404498296.db2.gz RDCGUODHBNQHIT-UHFFFAOYSA-N -2 3 310.306 2.028 20 0 DEADHL CSc1nc([N-]S(=O)(=O)Cc2cccc(Cl)c2)n[n-]1 ZINC000342462383 404592086 /nfs/dbraw/zinc/59/20/86/404592086.db2.gz BWHANOATWNKXNS-UHFFFAOYSA-N -2 3 318.811 2.122 20 0 DEADHL Cc1csc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)(C)C)c1 ZINC000577593495 405475278 /nfs/dbraw/zinc/47/52/78/405475278.db2.gz STNLFWACEXKKCN-SECBINFHSA-N -2 3 305.421 2.224 20 0 DEADHL CC1CCC(C)([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000568626062 292355268 /nfs/dbraw/zinc/35/52/68/292355268.db2.gz NSHMRJDDWYEDNK-UHFFFAOYSA-N -2 3 301.364 2.225 20 0 DEADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@H](CC1CCC1)C(=O)[O-] ZINC000530473453 405808740 /nfs/dbraw/zinc/80/87/40/405808740.db2.gz ZMUZCIJBFRBONS-GFCCVEGCSA-N -2 3 315.366 2.056 20 0 DEADHL CC[C@@H]([N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)[O-] ZINC000521239198 406338561 /nfs/dbraw/zinc/33/85/61/406338561.db2.gz RWUBKVHTXOITQM-SNVBAGLBSA-N -2 3 315.322 2.022 20 0 DEADHL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)Cc1cc(C)no1 ZINC000548263858 406494266 /nfs/dbraw/zinc/49/42/66/406494266.db2.gz FTXIAUUKMLKESN-UHFFFAOYSA-N -2 3 324.358 2.186 20 0 DEADHL Cc1ccc([N-]S(=O)(=O)c2ccc(N)cc2)cc1C(=O)[O-] ZINC000548528777 406526423 /nfs/dbraw/zinc/52/64/23/406526423.db2.gz BEMBMGINFZGPFY-UHFFFAOYSA-N -2 3 306.343 2.076 20 0 DEADHL O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H](c2nnn[n-]2)C1 ZINC000551925390 406653288 /nfs/dbraw/zinc/65/32/88/406653288.db2.gz FRBBCSUWBDHKHU-LBPRGKRZSA-N -2 3 323.356 2.078 20 0 DEADHL O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H](c2nn[n-]n2)C1 ZINC000551925390 406653292 /nfs/dbraw/zinc/65/32/92/406653292.db2.gz FRBBCSUWBDHKHU-LBPRGKRZSA-N -2 3 323.356 2.078 20 0 DEADHL Cc1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cccs2)o1 ZINC000646002269 406738805 /nfs/dbraw/zinc/73/88/05/406738805.db2.gz BATSZSJOGDJXGK-SECBINFHSA-N -2 3 315.372 2.144 20 0 DEADHL C[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)CC(F)F ZINC000646057737 406760297 /nfs/dbraw/zinc/76/02/97/406760297.db2.gz LAVWVJJLAVZEDT-LURJTMIESA-N -2 3 313.347 2.016 20 0 DEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2C[C@@H]2c2ccccc2)o1 ZINC000646057065 406760751 /nfs/dbraw/zinc/76/07/51/406760751.db2.gz SYQPXWUNXIIDMQ-VXGBXAGGSA-N -2 3 321.354 2.060 20 0 DEADHL COc1ccc([O-])c(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)c1 ZINC000642148481 406914545 /nfs/dbraw/zinc/91/45/45/406914545.db2.gz DBEYEENUQVQFDM-NSHDSACASA-N -2 3 321.354 2.408 20 0 DEADHL Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000647815596 407056399 /nfs/dbraw/zinc/05/63/99/407056399.db2.gz DFSYXMIMTWDQRK-UHFFFAOYSA-N -2 3 301.224 2.400 20 0 DEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnccc2Cl)cc1 ZINC000129320968 196038865 /nfs/dbraw/zinc/03/88/65/196038865.db2.gz NKGYTZAWRAYKJX-UHFFFAOYSA-N -2 3 312.734 2.234 20 0 DEADHL C[C@H](CCC1CC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000398428827 424922613 /nfs/dbraw/zinc/92/26/13/424922613.db2.gz TWUJQQWYLUAFKI-MRVPVSSYSA-N -2 3 303.405 2.303 20 0 DEADHL C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000650425367 424996259 /nfs/dbraw/zinc/99/62/59/424996259.db2.gz DSISTZFHBABSFE-ZETCQYMHSA-N -2 3 321.757 2.011 20 0 DEADHL CC[C@@H](C)CC[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000656718471 425172516 /nfs/dbraw/zinc/17/25/16/425172516.db2.gz RDNWPWNTCGBFRD-MRVPVSSYSA-N -2 3 321.420 2.169 20 0 DEADHL Cc1oc(S(=O)(=O)[N-]CCCC2CCC2)cc1C(=O)[O-] ZINC000656730700 425176218 /nfs/dbraw/zinc/17/62/18/425176218.db2.gz RBNYNTLQEBDMNE-UHFFFAOYSA-N -2 3 301.364 2.145 20 0 DEADHL COc1ccc([O-])c(C(=O)N[C@@]2(C(=O)[O-])CC[C@H](C)CC2)c1 ZINC000659181965 425543687 /nfs/dbraw/zinc/54/36/87/425543687.db2.gz YCKRTKFMWXJPAM-HZRBXJLLSA-N -2 3 307.346 2.164 20 0 DEADHL Cc1nc(C=Cc2cncc(F)c2)[n-]c(=O)c1CCC(=O)[O-] ZINC000443457108 269137655 /nfs/dbraw/zinc/13/76/55/269137655.db2.gz WDSUFVPOFQWQDH-DUXPYHPUSA-N -2 3 303.293 2.212 20 0 DEADHL CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000517233996 269380187 /nfs/dbraw/zinc/38/01/87/269380187.db2.gz NEIDNSIATMWYOE-LBPRGKRZSA-N -2 3 323.370 2.277 20 0 DEADHL CSc1nc([N-]C(=O)c2cc(-c3cccs3)on2)n[n-]1 ZINC000340267331 278177901 /nfs/dbraw/zinc/17/79/01/278177901.db2.gz ONIUNNNPXCYSKV-UHFFFAOYSA-N -2 3 307.360 2.495 20 0 DEADHL C[C@H](CCC(C)(C)C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000582060361 333194190 /nfs/dbraw/zinc/19/41/90/333194190.db2.gz DQPSGDPAGBRNRA-MRVPVSSYSA-N -2 3 320.436 2.334 20 0 DEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C1CCC1 ZINC000399229979 337314574 /nfs/dbraw/zinc/31/45/74/337314574.db2.gz YXMXPJIXEQMQNL-LLVKDONJSA-N -2 3 321.757 2.011 20 0 DEADHL C[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000037464619 599766305 /nfs/dbraw/zinc/76/63/05/599766305.db2.gz IUBFVYJDFYZEGX-JTQLQIEISA-N -2 3 309.343 2.060 20 0 DEADHL O=C([O-])CC[C@@H](NC(=O)c1ccc(O)cc1[O-])c1ccccc1 ZINC000319937800 599936857 /nfs/dbraw/zinc/93/68/57/599936857.db2.gz DOLRHKIHVYDHPW-CQSZACIVSA-N -2 3 315.325 2.434 20 0 DEADHL O=C([O-])[C@@H](CNC(=O)c1ccccc1[O-])Cc1cccc(F)c1 ZINC000739404106 599984845 /nfs/dbraw/zinc/98/48/45/599984845.db2.gz SNRLIHUMMWIYDJ-GFCCVEGCSA-N -2 3 317.316 2.205 20 0 DEADHL COc1ccc(C(=O)N(C)[C@@H](C(=O)[O-])c2ccccc2)c([O-])c1 ZINC000737920005 600602803 /nfs/dbraw/zinc/60/28/03/600602803.db2.gz KAQXGLTVBQDZAL-OAHLLOKOSA-N -2 3 315.325 2.299 20 0 DEADHL CC(C)(C)[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C(=O)[O-] ZINC000314538436 600644641 /nfs/dbraw/zinc/64/46/41/600644641.db2.gz SXYFONJGOCKVBH-ZDUSSCGKSA-N -2 3 302.330 2.170 20 0 DEADHL CCC1CCC(NC(=O)c2ccc(O)cc2[O-])(C(=O)[O-])CC1 ZINC000314048261 601275677 /nfs/dbraw/zinc/27/56/77/601275677.db2.gz GIYXIUAJYSNTSA-UHFFFAOYSA-N -2 3 307.346 2.251 20 0 DEADHL CCc1cccc(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c1[O-] ZINC000830259946 601289915 /nfs/dbraw/zinc/28/99/15/601289915.db2.gz MOBAWOXVLSHGTI-CYBMUJFWSA-N -2 3 303.358 2.282 20 0 DEADHL O=C([O-])c1cccc(CNC(=O)c2cc(=O)c3ccccc3[n-]2)c1 ZINC000391928387 602058235 /nfs/dbraw/zinc/05/82/35/602058235.db2.gz FSCMERXLQLTPMK-UHFFFAOYSA-N -2 3 322.320 2.156 20 0 DEADHL C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(Br)cc1[O-] ZINC000827310404 602094833 /nfs/dbraw/zinc/09/48/33/602094833.db2.gz ISHJPKSTYPFPLM-LURJTMIESA-N -2 3 302.124 2.204 20 0 DEADHL C[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694158537 605197484 /nfs/dbraw/zinc/19/74/84/605197484.db2.gz HFZHKNYGKXATJC-NXEZZACHSA-N -2 3 301.364 2.082 20 0 DEADHL Cn1ncc2c1nc(Sc1ccc(NC(=O)[O-])cc1)[n-]c2=O ZINC000833962160 605728070 /nfs/dbraw/zinc/72/80/70/605728070.db2.gz PFGZCCRJRJZBDO-UHFFFAOYSA-N -2 3 317.330 2.310 20 0 DEADHL CC(=O)c1ccc([O-])c(NC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824024552 609284519 /nfs/dbraw/zinc/28/45/19/609284519.db2.gz JNJACQOFEZKEOF-UHFFFAOYSA-N -2 3 323.312 2.027 20 0 DEADHL CC(=O)c1ccc([O-])c(NC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824024552 609284521 /nfs/dbraw/zinc/28/45/21/609284521.db2.gz JNJACQOFEZKEOF-UHFFFAOYSA-N -2 3 323.312 2.027 20 0 DEADHL CC(=O)c1cc(F)cc(CN2CC(F)(F)C[C@H]2C(=O)[O-])c1[O-] ZINC000903612582 643410627 /nfs/dbraw/zinc/41/06/27/643410627.db2.gz PVPSDVQONQSJDX-NSHDSACASA-N -2 3 317.263 2.028 20 0 DEADHL O=C([O-])C[C@@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)C1CC1 ZINC000909074051 645081442 /nfs/dbraw/zinc/08/14/42/645081442.db2.gz LZBMTLFWMANWLM-LLVKDONJSA-N -2 3 317.263 2.394 20 0 DEADHL O=C([O-])[C@@H]1CCN(C(=O)Cc2ccc([O-])c(F)c2)[C@H]2CCC[C@@H]21 ZINC000910240062 645366369 /nfs/dbraw/zinc/36/63/69/645366369.db2.gz NAPAHQWQVUNDOA-BZPMIXESSA-N -2 3 321.348 2.176 20 0 DEADHL O=C(c1c([O-])cccc1Cl)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000819966153 647751233 /nfs/dbraw/zinc/75/12/33/647751233.db2.gz LQFYRIFIALSMDC-MRVPVSSYSA-N -2 3 323.736 2.154 20 0 DEADHL O=C(c1cccc(Cl)c1[O-])N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000820067250 647778242 /nfs/dbraw/zinc/77/82/42/647778242.db2.gz AARHGMFBSYYLDG-UHFFFAOYSA-N -2 3 323.736 2.154 20 0 DEADHL CCCO[N-]C(=O)C[C@@H](C(=O)[N-]OCCC)c1ccc(C)cc1 ZINC000823608830 648453746 /nfs/dbraw/zinc/45/37/46/648453746.db2.gz PFJMIONELBRULW-OAHLLOKOSA-N -2 3 322.405 2.384 20 0 DEADHL CCc1cccc(S(=O)(=O)[N-][N-]C(=O)c2ccccc2F)c1 ZINC000080924092 683986359 /nfs/dbraw/zinc/98/63/59/683986359.db2.gz RUQMVXHVERZZHC-UHFFFAOYSA-N -2 3 322.361 2.011 20 0 DEADHL CC1(C)CCCC[C@@H]1[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871992939 688908325 /nfs/dbraw/zinc/90/83/25/688908325.db2.gz AAAGZZTTZXFLBB-JTQLQIEISA-N -2 3 301.364 2.225 20 0 DEADHL CC(C)(C)CC(C)(C)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871993094 688908505 /nfs/dbraw/zinc/90/85/05/688908505.db2.gz JUSPWPDJXJWEBT-UHFFFAOYSA-N -2 3 303.380 2.471 20 0 DEADHL CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871993607 688909614 /nfs/dbraw/zinc/90/96/14/688909614.db2.gz PPXBNHDGFMQGDF-GFCCVEGCSA-N -2 3 323.370 2.277 20 0 DEADHL C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2occc2C(=O)[O-])[C@@H](C)C1 ZINC000871993660 688909713 /nfs/dbraw/zinc/90/97/13/688909713.db2.gz MWUDLVPABJOLPG-YWVKMMECSA-N -2 3 301.364 2.081 20 0 DEADHL C[C@@H]([N-]S(=O)(=O)c1occc1C(=O)[O-])C1CCC(F)CC1 ZINC000871995029 688910217 /nfs/dbraw/zinc/91/02/17/688910217.db2.gz HFFLGNNMENBELT-XNWIYYODSA-N -2 3 319.354 2.173 20 0 DEADHL CCOC(=O)c1cnc(NC(=O)c2c([O-])cccc2Cl)[n-]1 ZINC001363712963 1153571915 /nfs/dbraw/zinc/57/19/15/1153571915.db2.gz VRDKZWHCEDWYKO-UHFFFAOYSA-N -2 3 309.709 2.198 20 0 DEADHL CCOC(=O)c1c[n-]c(NC(=O)c2c([O-])cccc2Cl)n1 ZINC001363712963 1153571919 /nfs/dbraw/zinc/57/19/19/1153571919.db2.gz VRDKZWHCEDWYKO-UHFFFAOYSA-N -2 3 309.709 2.198 20 0 DEADHL Cc1nccc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)c1F ZINC001167939796 778948444 /nfs/dbraw/zinc/94/84/44/778948444.db2.gz QIZCJZWKDQXCKY-UHFFFAOYSA-N -2 3 322.276 2.036 20 0 DEADHL Cc1ccc(C(C)C)c([O-])c1C(=O)N=c1ncnc2[nH][n-]cc1-2 ZINC001188166976 796634806 /nfs/dbraw/zinc/63/48/06/796634806.db2.gz HJOXVQONKDDWJV-UHFFFAOYSA-N -2 3 311.345 2.116 20 0 DEADHL O=S(=O)([N-]c1ncc([O-])cc1Cl)c1cnccc1Cl ZINC001192864863 797456906 /nfs/dbraw/zinc/45/69/06/797456906.db2.gz UIQDQTJVJXEMNI-UHFFFAOYSA-N -2 3 320.157 2.290 20 0 DEADHL Cc1nc(NC(=O)c2cc(Cl)nc(Cl)c2[O-])cc(=O)[n-]1 ZINC001193083941 797497217 /nfs/dbraw/zinc/49/72/17/797497217.db2.gz GNOBOQUFTFWCSK-UHFFFAOYSA-N -2 3 315.116 2.150 20 0 DEADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)C(C)(C)C ZINC001195248951 797860530 /nfs/dbraw/zinc/86/05/30/797860530.db2.gz MFFQVRHABCJAQC-SSDOTTSWSA-N -2 3 321.345 2.376 20 0 DEADHL COc1cccc(CS(=O)(=O)[N-]c2c([O-])cccc2F)c1 ZINC001197376861 798184360 /nfs/dbraw/zinc/18/43/60/798184360.db2.gz LZRBWTKTLGRHKU-UHFFFAOYSA-N -2 3 311.334 2.482 20 0 DEADHL O=C(NCCCCP(=O)([O-])[O-])Nc1cccc(Cl)c1 ZINC001202250795 798846036 /nfs/dbraw/zinc/84/60/36/798846036.db2.gz WANZTIQPCZDLAW-UHFFFAOYSA-N -2 3 306.686 2.419 20 0 DEADHL CC/C=C\CCOC(=O)[C@@H](C)Oc1nc2ncnc-2c([S-])[n-]1 ZINC001226785686 803160342 /nfs/dbraw/zinc/16/03/42/803160342.db2.gz NRFXIDQSVUBPQX-XRVBUDJMSA-N -2 3 322.390 2.308 20 0 DEADHL C[C@H]1CCC[C@H]1Oc1[n-]c(=O)nc2nc(Br)[n-]c21 ZINC001227594911 803256726 /nfs/dbraw/zinc/25/67/26/803256726.db2.gz SDYWJXXUKVXXCJ-NTSWFWBYSA-N -2 3 313.155 2.388 20 0 DEADHL O=C([O-])CC[C@H]1CCCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC001595015478 951281988 /nfs/dbraw/zinc/28/19/88/951281988.db2.gz BTTCHLXYUZJUGG-LLVKDONJSA-N -2 3 324.352 2.318 20 0 DEADHL C[C@@H](CN(C)Cc1cccc([O-])c1Br)C(=O)[O-] ZINC001589033697 955539473 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CC[C@](C)([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C(=O)[O-] ZINC000231807595 960206610 /nfs/dbraw/zinc/20/66/10/960206610.db2.gz HNYKTWJGYOLJAT-JTQLQIEISA-N -2 3 311.812 2.242 20 0 DEADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2C(=O)[O-])sc1Cl ZINC000231807279 960206635 /nfs/dbraw/zinc/20/66/35/960206635.db2.gz TYRHHKMNNRXFSK-YUMQZZPRSA-N -2 3 323.823 2.242 20 0 DEADHL COc1cccc([O-])c1C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC001571150355 961796189 /nfs/dbraw/zinc/79/61/89/961796189.db2.gz HDDUDHWQGMIUFD-GFCCVEGCSA-N -2 3 321.373 2.412 20 0 DEADHL CC(C)C[C@H](C(=O)[O-])N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC001588845915 961864765 /nfs/dbraw/zinc/86/47/65/961864765.db2.gz OVGNBWJTOVMTMS-SNVBAGLBSA-N -2 3 309.391 2.328 20 0 DEADHL C[C@H]1CCCN(Cc2nnc(-c3ccccc3[O-])o2)[C@H]1C(=O)[O-] ZINC001603414648 973095870 /nfs/dbraw/zinc/09/58/70/973095870.db2.gz BUQJDRMOJXFUKP-IINYFYTJSA-N -2 3 317.345 2.127 20 0 DEADHL C[C@@](CC(=O)[O-])(NCc1cccc(C(=O)[O-])c1)c1ccncc1 ZINC001592329351 977756912 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O=C([O-])CCCO[N-]C(=O)/C=C\c1nc2ccccc2s1 ZINC001601995887 1077491618 /nfs/dbraw/zinc/49/16/18/1077491618.db2.gz VMPSRPVZIPKIAZ-FPLPWBNLSA-N -2 3 306.343 2.222 20 0 DEADHL Cc1cc([C@H](C)N2Cc3nc(C)[n-]c(=O)c3C2)oc1C(=O)[O-] ZINC001607967798 1077569339 /nfs/dbraw/zinc/56/93/39/1077569339.db2.gz FQGNRZKGSSIBHW-QMMMGPOBSA-N -2 3 303.318 2.167 20 0 DEADHL O=C([O-])c1nc(C(=O)[N-]c2ncn(C3CCCCC3)n2)cs1 ZINC001608527872 1077650263 /nfs/dbraw/zinc/65/02/63/1077650263.db2.gz VZPKJJCWRQDQDS-UHFFFAOYSA-N -2 3 321.362 2.190 20 0 DEADHL O=C([O-])[C@@]1(F)CCN(Cc2cccc([O-])c2Br)C1 ZINC001608577478 1077659051 /nfs/dbraw/zinc/65/90/51/1077659051.db2.gz MLYVWGQKSMBXAO-GFCCVEGCSA-N -2 3 318.142 2.153 20 0 DEADHL O=C([O-])C[C@@H]1CN(C(=O)c2cccc3n[n-]nc32)c2ccccc21 ZINC001608700594 1077680325 /nfs/dbraw/zinc/68/03/25/1077680325.db2.gz MPZGLAGBUCEUHI-SNVBAGLBSA-N -2 3 322.324 2.177 20 0 DEADHL Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)ccc1F ZINC001609408289 1077853001 /nfs/dbraw/zinc/85/30/01/1077853001.db2.gz 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DEADHL C[C@H](O)COc1cccc(-c2nc3ccc([O-])cc3c(=O)[n-]2)c1 ZINC000351851261 540058952 /nfs/dbraw/zinc/05/89/52/540058952.db2.gz KWGJVGIFGYIROG-JTQLQIEISA-N -2 3 312.325 2.468 20 0 DEADHL CC(C)Cc1nc(=NC(=O)c2cc(C(F)(F)F)n[n-]2)s[n-]1 ZINC000618349016 363467896 /nfs/dbraw/zinc/46/78/96/363467896.db2.gz GPYMLKNCRCGXRA-UHFFFAOYSA-N -2 3 319.312 2.153 20 0 DEADHL CC(C)Cc1nc(=NC(=O)c2cc(C(F)(F)F)[n-]n2)s[n-]1 ZINC000618349016 363467903 /nfs/dbraw/zinc/46/79/03/363467903.db2.gz GPYMLKNCRCGXRA-UHFFFAOYSA-N -2 3 319.312 2.153 20 0 DEADHL CC1(C)CCC(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000584717508 357296453 /nfs/dbraw/zinc/29/64/53/357296453.db2.gz UDBJBQMVIIJHKD-UHFFFAOYSA-N -2 3 315.391 2.473 20 0 DEADHL O=C([O-])c1cnc(C=Cc2c[nH]c(-c3ccccc3)n2)[n-]c1=O ZINC000670369880 540926822 /nfs/dbraw/zinc/92/68/22/540926822.db2.gz HQJIGMMKTZEBGC-VOTSOKGWSA-N -2 3 308.297 2.441 20 0 DEADHL O=C([O-])c1csc(S(=O)(=O)[N-]CC[C@H]2CC=CCC2)c1 ZINC000530153898 284351570 /nfs/dbraw/zinc/35/15/70/284351570.db2.gz 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/nfs/dbraw/zinc/76/88/72/600768872.db2.gz SXXIJTLAPYRIAV-GHMZBOCLSA-N -2 3 313.375 2.225 20 0 DEADHL CCC1(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC000233075757 601399820 /nfs/dbraw/zinc/39/98/20/601399820.db2.gz HDJXZDXMVNLTTR-UHFFFAOYSA-N -2 3 319.329 2.132 20 0 DEADHL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccccc1F ZINC000833294633 601855139 /nfs/dbraw/zinc/85/51/39/601855139.db2.gz SCRCJBZDIHDEMO-UHFFFAOYSA-N -2 3 313.281 2.464 20 0 DEADHL CCc1cc(=O)[n-]c(CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])n1 ZINC000830224183 602238123 /nfs/dbraw/zinc/23/81/23/602238123.db2.gz HWIZZFBCQVFWGE-ZBEGNZNMSA-N -2 3 315.373 2.296 20 0 DEADHL Cc1ccc(C(=O)N2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)c([O-])c1 ZINC000830191554 604297867 /nfs/dbraw/zinc/29/78/67/604297867.db2.gz CAPSMENSQZDCID-VXGBXAGGSA-N -2 3 306.362 2.209 20 0 DEADHL CCc1cccc(C(=O)N2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)c1[O-] ZINC000827596787 604299877 /nfs/dbraw/zinc/29/98/77/604299877.db2.gz ZYSAMWFGZULRGB-YPMHNXCESA-N -2 3 320.389 2.463 20 0 DEADHL CCc1cccc(C(=O)N2CCC[C@H]([C@H](C)NC(=O)[O-])C2)c1[O-] ZINC000827596784 604299914 /nfs/dbraw/zinc/29/99/14/604299914.db2.gz ZYSAMWFGZULRGB-AAEUAGOBSA-N -2 3 320.389 2.463 20 0 DEADHL C[C@@H]1CCC[C@H](CC[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000833608532 605204162 /nfs/dbraw/zinc/20/41/62/605204162.db2.gz BJEYMJSTAOVMPF-GHMZBOCLSA-N -2 3 315.391 2.473 20 0 DEADHL C[C@H](CNC(=O)c1cc([O-])cc(C(F)(F)F)c1)CC(=O)[O-] ZINC000909476893 637680139 /nfs/dbraw/zinc/68/01/39/637680139.db2.gz GIVATSZBFCUPLJ-ZETCQYMHSA-N -2 3 305.252 2.252 20 0 DEADHL O=C([O-])CC[C@@H]1CCCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000909479471 637687858 /nfs/dbraw/zinc/68/78/58/637687858.db2.gz RYBVBZQIBMINAN-NSHDSACASA-N -2 3 309.337 2.177 20 0 DEADHL O=C(c1ccc(Cl)cc1[O-])N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898208071 641047977 /nfs/dbraw/zinc/04/79/77/641047977.db2.gz XTAINXPYBJAGRS-QMMMGPOBSA-N -2 3 307.737 2.104 20 0 DEADHL O=C(CSc1n[n-]c(=S)s1)Nc1c([O-])cccc1F ZINC000770860546 641427435 /nfs/dbraw/zinc/42/74/35/641427435.db2.gz FRMPHFRBLVKYGH-UHFFFAOYSA-N -2 3 317.392 2.402 20 0 DEADHL O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cccc(Cl)c1[O-] ZINC000775668966 642075315 /nfs/dbraw/zinc/07/53/15/642075315.db2.gz OUBVRVUYLKDLGB-UHFFFAOYSA-N -2 3 306.631 2.435 20 0 DEADHL O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cccc(Cl)c1[O-] ZINC000775668966 642075318 /nfs/dbraw/zinc/07/53/18/642075318.db2.gz OUBVRVUYLKDLGB-UHFFFAOYSA-N -2 3 306.631 2.435 20 0 DEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2C(C)=O)c1 ZINC000775669876 642076312 /nfs/dbraw/zinc/07/63/12/642076312.db2.gz RSPKFUQKRXLHCO-UHFFFAOYSA-N -2 3 321.354 2.404 20 0 DEADHL C[C@@H]1CN(C(=O)CCCc2ccc([O-])c(F)c2)CC[C@@H]1C(=O)[O-] ZINC000909988794 645276615 /nfs/dbraw/zinc/27/66/15/645276615.db2.gz AXXMNGOKIFBYNF-YPMHNXCESA-N -2 3 323.364 2.423 20 0 DEADHL CC(C)CCC[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000910574411 645495846 /nfs/dbraw/zinc/49/58/46/645495846.db2.gz IEDAQCJPPSOYFI-CYBMUJFWSA-N -2 3 311.353 2.470 20 0 DEADHL CC(C)CSCCC[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871993728 688909683 /nfs/dbraw/zinc/90/96/83/688909683.db2.gz OQHOCHPFKKLBGG-UHFFFAOYSA-N -2 3 321.420 2.035 20 0 DEADHL O=C([O-])c1coc(S(=O)(=O)[N-]CC2CCC3(CC3)CC2)c1 ZINC000871996525 688909898 /nfs/dbraw/zinc/90/98/98/688909898.db2.gz AWCIXFQNHYPFKS-UHFFFAOYSA-N -2 3 313.375 2.227 20 0 DEADHL C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001573637075 1160922671 /nfs/dbraw/zinc/92/26/71/1160922671.db2.gz WATDKHONCDJTHT-NKWVEPMBSA-N -2 3 321.757 2.112 20 0 DEADHL Cc1cc2[nH]c(C(=O)NCCCCP(=O)([O-])[O-])cc2s1 ZINC001154006511 797442122 /nfs/dbraw/zinc/44/21/22/797442122.db2.gz REJIYQINJJXUGG-UHFFFAOYSA-N -2 3 316.319 2.226 20 0 DEADHL O=C(Nc1ccccc1-c1nnn[n-]1)c1c([O-])ccc(F)c1F ZINC001192764429 797442865 /nfs/dbraw/zinc/44/28/65/797442865.db2.gz JICGXPYLJBAHFM-UHFFFAOYSA-N -2 3 317.255 2.103 20 0 DEADHL O=C(Nc1ccccc1-c1nn[n-]n1)c1c([O-])ccc(F)c1F ZINC001192764429 797442870 /nfs/dbraw/zinc/44/28/70/797442870.db2.gz JICGXPYLJBAHFM-UHFFFAOYSA-N -2 3 317.255 2.103 20 0 DEADHL CSc1nc(NC(=O)c2ccc(F)c([O-])c2F)cc(=O)[n-]1 ZINC001193769342 797625657 /nfs/dbraw/zinc/62/56/57/797625657.db2.gz DZISGTOTHTUFJI-UHFFFAOYSA-N -2 3 313.285 2.140 20 0 DEADHL O=C([O-])CCC(=O)Nc1ccc(Nc2ncc(F)cc2[O-])cc1 ZINC001213182804 801580335 /nfs/dbraw/zinc/58/03/35/801580335.db2.gz NCLUZTXNPABYCI-UHFFFAOYSA-N -2 3 319.292 2.473 20 0 DEADHL Cc1nc(Nc2ccc(NC(=O)CCC(=O)[O-])cc2)cc(=O)[n-]1 ZINC001213180779 801580786 /nfs/dbraw/zinc/58/07/86/801580786.db2.gz FXVHGYOZXRNLOG-UHFFFAOYSA-N -2 3 316.317 2.038 20 0 DEADHL CC[C@]1(C(=O)[O-])CCCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000316109379 802500788 /nfs/dbraw/zinc/50/07/88/802500788.db2.gz LXKSFDDGBGUCKN-HNNXBMFYSA-N -2 3 321.402 2.474 20 0 DEADHL O=P([O-])([O-])CCCCOC[C@@H]1CCc2ccccc2O1 ZINC001225022365 802927772 /nfs/dbraw/zinc/92/77/72/802927772.db2.gz NXLHOWJGXPIDTK-ZDUSSCGKSA-N -2 3 300.291 2.355 20 0 DEADHL COC(=O)[C@@H](OCCCCP(=O)([O-])[O-])c1ccccc1F ZINC001225019516 802928417 /nfs/dbraw/zinc/92/84/17/802928417.db2.gz XTAIRBBUYLAXLP-LBPRGKRZSA-N -2 3 320.253 2.014 20 0 DEADHL CC(=O)c1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1[O-] ZINC001602772633 971505083 /nfs/dbraw/zinc/50/50/83/971505083.db2.gz NCBRKXUHZCYNQH-CYBMUJFWSA-N -2 3 319.357 2.454 20 0 DEADHL O=C([O-])C1(NC(=O)c2cc3c(cc2[O-])OCO3)CCCCCC1 ZINC001594721537 956973117 /nfs/dbraw/zinc/97/31/17/956973117.db2.gz HOABQXGPUVNZNW-UHFFFAOYSA-N -2 3 321.329 2.028 20 0 DEADHL Cc1cc(C(=O)[O-])cc(C(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC001594289019 957806176 /nfs/dbraw/zinc/80/61/76/957806176.db2.gz NUNYSWGEYLGQFA-UHFFFAOYSA-N -2 3 323.312 2.126 20 0 DEADHL Cc1cc(C(=O)[O-])cc(C(=O)Nc2ccccc2-c2nn[n-]n2)c1 ZINC001594289019 957806188 /nfs/dbraw/zinc/80/61/88/957806188.db2.gz NUNYSWGEYLGQFA-UHFFFAOYSA-N -2 3 323.312 2.126 20 0 DEADHL Cc1cc(C(=O)[O-])cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC001594289215 957810121 /nfs/dbraw/zinc/81/01/21/957810121.db2.gz RAUQFUMCAWDCBF-UHFFFAOYSA-N -2 3 323.312 2.126 20 0 DEADHL Cc1cc(C(=O)[O-])cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC001594289215 957810129 /nfs/dbraw/zinc/81/01/29/957810129.db2.gz RAUQFUMCAWDCBF-UHFFFAOYSA-N -2 3 323.312 2.126 20 0 DEADHL Cc1ccc(-c2nc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)n[n-]2)o1 ZINC001594337974 958282352 /nfs/dbraw/zinc/28/23/52/958282352.db2.gz VMKWLTVVRUCYAO-SECBINFHSA-N -2 3 306.322 2.059 20 0 DEADHL Cc1nc(C)c(CCC(=O)Nc2ccc(C(=O)[O-])s2)c(=O)[n-]1 ZINC000314438966 963753265 /nfs/dbraw/zinc/75/32/65/963753265.db2.gz HYFPEXJZYKLAOC-UHFFFAOYSA-N -2 3 321.358 2.130 20 0 DEADHL COc1ccc(C(=O)NCCc2ccc(C(=O)[O-])cc2)c([O-])c1 ZINC000320081108 970611652 /nfs/dbraw/zinc/61/16/52/970611652.db2.gz OGDGLOGHRPOIBL-UHFFFAOYSA-N -2 3 315.325 2.072 20 0 DEADHL Cc1n[n-]cc1C(=O)O[C@@H](C(=O)[O-])c1c(F)cccc1Cl ZINC001599969184 985972788 /nfs/dbraw/zinc/97/27/88/985972788.db2.gz MXTPLVGREPNHEG-LLVKDONJSA-N -2 3 312.684 2.493 20 0 DEADHL Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001599971041 986006182 /nfs/dbraw/zinc/00/61/82/986006182.db2.gz ISQCNOZXCYRMHK-NKWVEPMBSA-N -2 3 314.135 2.122 20 0 DEADHL COC(=O)c1cc(C(=O)O[C@@H](C)c2cc(C(=O)[O-])co2)c[n-]1 ZINC001598926881 997663615 /nfs/dbraw/zinc/66/36/15/997663615.db2.gz SSDDTYXFJGGCIF-ZETCQYMHSA-N -2 3 307.258 2.011 20 0 DEADHL CO[C@@H]1CN(C(=O)c2ccc(C(C)C)cc2[O-])[C@](C)(C(=O)[O-])C1 ZINC001599130705 997936662 /nfs/dbraw/zinc/93/66/62/997936662.db2.gz PYYCCBWGJWXMGH-SJCJKPOMSA-N -2 3 321.373 2.220 20 0 DEADHL C[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001594367226 999387520 /nfs/dbraw/zinc/38/75/20/999387520.db2.gz PIMWXFNJPHULGG-ZJUUUORDSA-N -2 3 301.364 2.082 20 0 DEADHL O=C([O-])[C@H](OC(=O)c1cccc2nn[n-]c21)c1ccsc1 ZINC001602605217 1069694396 /nfs/dbraw/zinc/69/43/96/1069694396.db2.gz MAVYWXMIROYXOS-LLVKDONJSA-N -2 3 303.299 2.002 20 0 DEADHL O=C([O-])[C@H](OC(=O)c1cccc2n[n-]nc21)c1ccsc1 ZINC001602605217 1069694401 /nfs/dbraw/zinc/69/44/01/1069694401.db2.gz MAVYWXMIROYXOS-LLVKDONJSA-N -2 3 303.299 2.002 20 0 DEADHL Cc1cc(NC(=O)c2cccc(F)c2[O-])cc(-c2nn[n-]n2)c1 ZINC001605716930 1070867899 /nfs/dbraw/zinc/86/78/99/1070867899.db2.gz WVBLOWQNRBOULL-UHFFFAOYSA-N -2 3 313.292 2.272 20 0 DEADHL Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)c(C)c1 ZINC001605870497 1070956964 /nfs/dbraw/zinc/95/69/64/1070956964.db2.gz LSICTDLCOAUPLB-UHFFFAOYSA-N -2 3 309.329 2.441 20 0 DEADHL CCc1oc(C(=O)[O-])cc1CNC(C)(C)c1nc(C)cc(=O)[n-]1 ZINC001605883196 1070964271 /nfs/dbraw/zinc/96/42/71/1070964271.db2.gz OBSNURGXFUOGHR-UHFFFAOYSA-N -2 3 319.361 2.369 20 0 DEADHL CO[C@H](C)CS(=O)(=O)[N-]c1ccc(C(=O)[O-])c2ccccc12 ZINC001606666110 1071187950 /nfs/dbraw/zinc/18/79/50/1071187950.db2.gz FTBAUDDZHPXXFV-SNVBAGLBSA-N -2 3 323.370 2.315 20 0 DEADHL Cc1ccc(-c2cc(C(=O)OCC3(CC(=O)[O-])CC3)n[n-]2)o1 ZINC001607715650 1071536499 /nfs/dbraw/zinc/53/64/99/1071536499.db2.gz SWMSNGKWXYEZEO-UHFFFAOYSA-N -2 3 304.302 2.390 20 0 DEADHL Cc1ccc(C)c(C(=O)CCC(=O)[N-]OCCCC(=O)[O-])c1 ZINC001607759882 1071548487 /nfs/dbraw/zinc/54/84/87/1071548487.db2.gz AWAYKGNTAUMDAN-UHFFFAOYSA-N -2 3 307.346 2.179 20 0 DEADHL O=C([O-])c1coc(C(=O)[N-]c2ncn(C3CCCCC3)n2)c1 ZINC001610867278 1078089072 /nfs/dbraw/zinc/08/90/72/1078089072.db2.gz VZCJCKMKDPAACT-UHFFFAOYSA-N -2 3 304.306 2.327 20 0 DEADHL O=C([O-])C(F)(F)[C@@H]([N-]C(=O)C(F)(F)c1ccccc1)C1CC1 ZINC001574307871 1069195904 /nfs/dbraw/zinc/19/59/04/1069195904.db2.gz CLKNZAPXTSZTOL-JTQLQIEISA-N -2 3 319.254 2.393 20 0 DEADHL O=C([O-])[C@@H](c1ccccc1)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001574352872 1069205227 /nfs/dbraw/zinc/20/52/27/1069205227.db2.gz KNHPPNOAVUCWFH-CQSZACIVSA-N -2 3 311.341 2.201 20 0 DEADHL CC(C)=CCC[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001609681973 1072517161 /nfs/dbraw/zinc/51/71/61/1072517161.db2.gz GWHYZPBAOHYQRY-SNVBAGLBSA-N -2 3 301.364 2.391 20 0 DEADHL CC(F)(F)C(=O)[N-][C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC001609750893 1072606236 /nfs/dbraw/zinc/60/62/36/1072606236.db2.gz GYWRRTGYORVQCL-MRVPVSSYSA-N -2 3 322.105 2.346 20 0 DEADHL COc1cc(O)ccc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC001649792952 1079219237 /nfs/dbraw/zinc/21/92/37/1079219237.db2.gz HPXOZURFYLAQMZ-GQCTYLIASA-N -2 3 316.313 2.002 20 0 DEADHL CC(C)(C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1)C1CCC1 ZINC001589054857 1076473648 /nfs/dbraw/zinc/47/36/48/1076473648.db2.gz SCWROZRNSTXBHV-UHFFFAOYSA-N -2 3 301.350 2.103 20 0 DEADHL C[C@H]1CCN(c2c(Cl)cccc2-c2nnn[n-]2)C[C@H]1C(=O)[O-] ZINC001590277612 1076606079 /nfs/dbraw/zinc/60/60/79/1076606079.db2.gz WZNKHTJVQFMCIR-WCBMZHEXSA-N -2 3 321.768 2.067 20 0 DEADHL C[C@H]1CCN(c2c(Cl)cccc2-c2nn[n-]n2)C[C@H]1C(=O)[O-] ZINC001590277612 1076606081 /nfs/dbraw/zinc/60/60/81/1076606081.db2.gz WZNKHTJVQFMCIR-WCBMZHEXSA-N -2 3 321.768 2.067 20 0 DEADHL CC[C@@H](C)c1cc(=O)n(-c2cc(-c3nnn[n-]3)cc(Cl)n2)[n-]1 ZINC001590400943 1076620658 /nfs/dbraw/zinc/62/06/58/1076620658.db2.gz BILHZKDQWDRQAL-SSDOTTSWSA-N -2 3 319.756 2.054 20 0 DEADHL CC[C@@H](C)c1cc(=O)n(-c2cc(-c3nn[n-]n3)cc(Cl)n2)[n-]1 ZINC001590400943 1076620659 /nfs/dbraw/zinc/62/06/59/1076620659.db2.gz BILHZKDQWDRQAL-SSDOTTSWSA-N -2 3 319.756 2.054 20 0 DEADHL C[C@H](C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001591760048 1076781170 /nfs/dbraw/zinc/78/11/70/1076781170.db2.gz XSDDATWIKVHLAV-NSHDSACASA-N -2 3 309.329 2.080 20 0 DEADHL C[C@H](C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001591760048 1076781175 /nfs/dbraw/zinc/78/11/75/1076781175.db2.gz XSDDATWIKVHLAV-NSHDSACASA-N -2 3 309.329 2.080 20 0 DEADHL Cc1ccnc(N[C@H](CCC(C)(C)C)C(=O)[O-])c1-c1nnn[n-]1 ZINC001592272791 1076887679 /nfs/dbraw/zinc/88/76/79/1076887679.db2.gz NEGREFZEPGDAIP-SNVBAGLBSA-N -2 3 318.381 2.262 20 0 DEADHL Cc1ccnc(N[C@H](CCC(C)(C)C)C(=O)[O-])c1-c1nn[n-]n1 ZINC001592272791 1076887682 /nfs/dbraw/zinc/88/76/82/1076887682.db2.gz NEGREFZEPGDAIP-SNVBAGLBSA-N -2 3 318.381 2.262 20 0 DEADHL O=C(Nc1ccc(F)cc1F)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001593231856 1076982330 /nfs/dbraw/zinc/98/23/30/1076982330.db2.gz UUMKNGDQXPFRPA-UHFFFAOYSA-N -2 3 317.255 2.103 20 0 DEADHL O=C([O-])c1ccc(-c2nnn[n-]2)c(C=Cc2cccc(F)c2)n1 ZINC001593284209 1076989454 /nfs/dbraw/zinc/98/94/54/1076989454.db2.gz YCYBLZKKKZTXET-XQRVVYSFSA-N -2 3 311.276 2.269 20 0 DEADHL O=C([O-])c1ccc(-c2nn[n-]n2)c(C=Cc2cccc(F)c2)n1 ZINC001593284209 1076989458 /nfs/dbraw/zinc/98/94/58/1076989458.db2.gz YCYBLZKKKZTXET-XQRVVYSFSA-N -2 3 311.276 2.269 20 0 DEADHL O=Cc1ccc(-c2ccc(C(=O)[O-])c(-c3nn[n-]n3)c2)cc1F ZINC001593416353 1077003933 /nfs/dbraw/zinc/00/39/33/1077003933.db2.gz XLVBGFGXGHVNMB-UHFFFAOYSA-N -2 3 312.260 2.184 20 0 DEADHL Cc1cc(C(=O)[O-])cc(C(=O)NCc2ccc([O-])c(F)c2)c1 ZINC001600108377 1077138193 /nfs/dbraw/zinc/13/81/93/1077138193.db2.gz FRIZHIOEYCKUQX-UHFFFAOYSA-N -2 3 303.289 2.468 20 0 DEADHL O=C([O-])c1ncoc1CCC(=O)Nc1c([O-])cccc1Cl ZINC001601296844 1077374130 /nfs/dbraw/zinc/37/41/30/1077374130.db2.gz OCIWMGJWHFAVGK-UHFFFAOYSA-N -2 3 310.693 2.303 20 0 DEADHL O=C([O-])c1ncoc1CCC(=O)Nc1cc(Cl)ccc1[O-] ZINC001601297371 1077374367 /nfs/dbraw/zinc/37/43/67/1077374367.db2.gz WWABJYOETRDRDM-UHFFFAOYSA-N -2 3 310.693 2.303 20 0 DEADHL O=C([O-])c1cccc2nc(NC(=O)c3cc(F)ccc3[O-])[nH]c21 ZINC001601632362 1077421505 /nfs/dbraw/zinc/42/15/05/1077421505.db2.gz HRAALLOZOXNAIT-UHFFFAOYSA-N -2 3 315.260 2.358 20 0 DEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C2CCC(C(F)F)CC2)o1 ZINC001608911227 1077719535 /nfs/dbraw/zinc/71/95/35/1077719535.db2.gz BZACUFJLBWSNEM-UHFFFAOYSA-N -2 3 323.317 2.080 20 0 DEADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C(C1CCC1)C1CCC1 ZINC001608956503 1077728944 /nfs/dbraw/zinc/72/89/44/1077728944.db2.gz VZTVTCQJYQAJLO-UHFFFAOYSA-N -2 3 313.375 2.225 20 0 DEADHL O=C([O-])C1(C(=O)COC(=O)c2cc3sccc3c([O-])c2)CC1 ZINC001609016581 1077741795 /nfs/dbraw/zinc/74/17/95/1077741795.db2.gz IEVCPMWJZMEBSB-UHFFFAOYSA-N -2 3 320.322 2.198 20 0 DEADHL CC/C=C/C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001609951005 1077956875 /nfs/dbraw/zinc/95/68/75/1077956875.db2.gz IPDYTTSHJMVELW-ONEGZZNKSA-N -2 3 321.757 2.422 20 0 DEADHL COc1cc(C(=O)[O-])ccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001610285260 1077999561 /nfs/dbraw/zinc/99/95/61/1077999561.db2.gz DVRLARIYLJSZAM-UHFFFAOYSA-N -2 3 315.329 2.379 20 0 DEADHL CC[C@@](C)(NC(=O)c1cc([O-])cc(Br)c1)C(=O)[O-] ZINC000700647989 1086322702 /nfs/dbraw/zinc/32/27/02/1086322702.db2.gz YBKLYASXDKYGBJ-GFCCVEGCSA-N -2 3 316.151 2.138 20 0 DEADHL O=C(NCc1cc(=O)[n-]c(C2CC2)n1)c1ccc(Cl)cc1[O-] ZINC001412584638 1091542762 /nfs/dbraw/zinc/54/27/62/1091542762.db2.gz ADSGYKZFMIHPIO-UHFFFAOYSA-N -2 3 319.748 2.349 20 0 DEADHL COc1cc(-c2cc(F)cc(-c3nnn[n-]3)c2)ccc1C(=O)[O-] ZINC001240746209 1139552268 /nfs/dbraw/zinc/55/22/68/1139552268.db2.gz AVGCBRRFJADSQK-UHFFFAOYSA-N -2 3 314.276 2.380 20 0 DEADHL COc1cc(-c2cc(F)cc(-c3nn[n-]n3)c2)ccc1C(=O)[O-] ZINC001240746209 1139552275 /nfs/dbraw/zinc/55/22/75/1139552275.db2.gz AVGCBRRFJADSQK-UHFFFAOYSA-N -2 3 314.276 2.380 20 0 DEADHL COc1cc(C(=O)[O-])cc(-c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001244177594 1140317620 /nfs/dbraw/zinc/31/76/20/1140317620.db2.gz ARLXENVTJUTXLY-UHFFFAOYSA-N -2 3 314.276 2.380 20 0 DEADHL COc1cc(C(=O)[O-])cc(-c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001244177594 1140317624 /nfs/dbraw/zinc/31/76/24/1140317624.db2.gz ARLXENVTJUTXLY-UHFFFAOYSA-N -2 3 314.276 2.380 20 0 DEADHL CCCS(=O)(=O)[N-]c1cc(OC)cc(Br)c1[O-] ZINC001253693072 1142892323 /nfs/dbraw/zinc/89/23/23/1142892323.db2.gz YVQFWZDWENZOEF-UHFFFAOYSA-N -2 3 324.196 2.315 20 0 DEADHL O=c1cc(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)o[n-]1 ZINC001257288883 1143896643 /nfs/dbraw/zinc/89/66/43/1143896643.db2.gz QDWIFOVBPYSAAG-UHFFFAOYSA-N -2 3 323.157 2.166 20 0 DEADHL O=S(=O)([N-]c1cncc([O-])c1)c1ccc(Cl)cc1F ZINC001259506510 1144104967 /nfs/dbraw/zinc/10/49/67/1144104967.db2.gz SJZXXVJHXNHHDV-UHFFFAOYSA-N -2 3 302.714 2.381 20 0 DEADHL Cc1cccc(Cl)c1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000090536487 185301454 /nfs/dbraw/zinc/30/14/54/185301454.db2.gz UDJSDLJGIFPMRG-UHFFFAOYSA-N -2 3 314.750 2.476 20 0 DEADHL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000159657158 186133725 /nfs/dbraw/zinc/13/37/25/186133725.db2.gz MUZYXSZVUHPMIY-SSDOTTSWSA-N -2 3 309.746 2.011 20 0 DEADHL CCC[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1nnn[n-]1 ZINC000280414469 539814187 /nfs/dbraw/zinc/81/41/87/539814187.db2.gz OZVURXLFBASZAB-ZDUSSCGKSA-N -2 3 311.345 2.330 20 0 DEADHL CCC[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1nn[n-]n1 ZINC000280414469 539814190 /nfs/dbraw/zinc/81/41/90/539814190.db2.gz OZVURXLFBASZAB-ZDUSSCGKSA-N -2 3 311.345 2.330 20 0 DEADHL Cc1cccc(S(=O)(=O)[N-]Cc2cccc(C(=O)[O-])c2)c1F ZINC000313239192 539879524 /nfs/dbraw/zinc/87/95/24/539879524.db2.gz QSAFTCAOKOPIPV-UHFFFAOYSA-N -2 3 323.345 2.311 20 0 DEADHL C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000235334128 356288431 /nfs/dbraw/zinc/28/84/31/356288431.db2.gz CCIKUAQSFRHHEX-NXEZZACHSA-N -2 3 301.364 2.225 20 0 DEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCc3ccccc32)o1 ZINC000315453071 356423957 /nfs/dbraw/zinc/42/39/57/356423957.db2.gz HJBYJBFIQKUXDJ-LBPRGKRZSA-N -2 3 321.354 2.334 20 0 DEADHL O=C([O-])c1csc(S(=O)(=O)[N-]C[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000404002233 283164365 /nfs/dbraw/zinc/16/43/65/283164365.db2.gz AHNVLNMYWCXVND-KXUCPTDWSA-N -2 3 315.416 2.161 20 0 DEADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C1(C)CCCC1 ZINC000578190477 356775739 /nfs/dbraw/zinc/77/57/39/356775739.db2.gz MIKSYAXHNHUMSI-UHFFFAOYSA-N -2 3 319.404 2.066 20 0 DEADHL Cc1oc(S(=O)(=O)[N-]CC2(C(C)C)CC2)cc1C(=O)[O-] ZINC000579118593 356925572 /nfs/dbraw/zinc/92/55/72/356925572.db2.gz FAPYJVDWGACCRW-UHFFFAOYSA-N -2 3 301.364 2.001 20 0 DEADHL CC[C@H](C)[N-]S(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC000156488493 197116945 /nfs/dbraw/zinc/11/69/45/197116945.db2.gz HBRDGNKHTZUTKM-LURJTMIESA-N -2 3 309.746 2.254 20 0 DEADHL O=S(=O)([N-]Cc1ncccc1[O-])c1cccc(Cl)c1F ZINC000360022824 133157836 /nfs/dbraw/zinc/15/78/36/133157836.db2.gz IYJHMTPCHYRUOU-UHFFFAOYSA-N -2 3 316.741 2.058 20 0 DEADHL Cc1cc(F)c(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-])cc1F ZINC000261748536 145222480 /nfs/dbraw/zinc/22/24/80/145222480.db2.gz VWDLAGYXTINSCJ-LLVKDONJSA-N -2 3 321.345 2.051 20 0 DEADHL Cc1cccc(S(=O)(=O)[N-]C[C@H](CC(C)C)C(=O)[O-])c1F ZINC000262459206 145284777 /nfs/dbraw/zinc/28/47/77/145284777.db2.gz LYMWDRVCTXIDSM-NSHDSACASA-N -2 3 317.382 2.159 20 0 DEADHL C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000013307071 401798932 /nfs/dbraw/zinc/79/89/32/401798932.db2.gz ZQFCPDQCHQXVHW-WCBMZHEXSA-N -2 3 303.405 2.303 20 0 DEADHL O=S(=O)([N-]c1cccc([O-])c1F)c1c[nH]c2ncccc12 ZINC000131548491 401852365 /nfs/dbraw/zinc/85/23/65/401852365.db2.gz QEXVDTDFFSAVJO-UHFFFAOYSA-N -2 3 307.306 2.208 20 0 DEADHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000136738980 401973309 /nfs/dbraw/zinc/97/33/09/401973309.db2.gz MFKXNBHPQWTJOH-LLVKDONJSA-N -2 3 321.345 2.133 20 0 DEADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]C2CCCC2)c1 ZINC000184854249 402304828 /nfs/dbraw/zinc/30/48/28/402304828.db2.gz ULNWLHMAACPTHX-UHFFFAOYSA-N -2 3 301.339 2.053 20 0 DEADHL C[C@@H]1C[C@H](C)CN(S(=O)(=O)[N-]c2cc(F)ccc2[O-])C1 ZINC000345686398 403436249 /nfs/dbraw/zinc/43/62/49/403436249.db2.gz WZBDLJKGLJSGBT-AOOOYVTPSA-N -2 3 302.371 2.166 20 0 DEADHL CCOC(=O)c1ccc([N-]S(=O)(=O)CCCCF)c([O-])c1 ZINC000294296982 403695962 /nfs/dbraw/zinc/69/59/62/403695962.db2.gz URWCEDRLUHJKTQ-UHFFFAOYSA-N -2 3 319.354 2.060 20 0 DEADHL CSc1nc([N-]S(=O)(=O)Cc2c(C)cccc2C)n[n-]1 ZINC000295304579 403843861 /nfs/dbraw/zinc/84/38/61/403843861.db2.gz MODJCNZZUBJCCR-UHFFFAOYSA-N -2 3 312.420 2.085 20 0 DEADHL CCC(CC)(C[N-]S(=O)(=O)c1cccc(C)c1F)C(=O)[O-] ZINC000313255427 403980815 /nfs/dbraw/zinc/98/08/15/403980815.db2.gz YXYMIZRDEDLOMU-UHFFFAOYSA-N -2 3 317.382 2.303 20 0 DEADHL CC(C)C[C@@H](CNC(=O)NCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000424420175 405088947 /nfs/dbraw/zinc/08/89/47/405088947.db2.gz ZDHYQJJYKSLOMZ-NSHDSACASA-N -2 3 312.341 2.077 20 0 DEADHL COC(=O)c1ccc([O-])c(NC(=O)c2ccc(C)cc2[O-])c1 ZINC000436503467 405092345 /nfs/dbraw/zinc/09/23/45/405092345.db2.gz GVEOBKLQYPFWLQ-UHFFFAOYSA-N -2 3 301.298 2.445 20 0 DEADHL CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)CC(=O)[O-])nc2)n1 ZINC000416427047 405138717 /nfs/dbraw/zinc/13/87/17/405138717.db2.gz OLGSZZPMCUMTAJ-SECBINFHSA-N -2 3 302.334 2.082 20 0 DEADHL Cc1ccc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c([O-])c1C ZINC000425303762 405270329 /nfs/dbraw/zinc/27/03/29/405270329.db2.gz PABLRLKBYHTFON-LLVKDONJSA-N -2 3 317.345 2.117 20 0 DEADHL O=C(c1cc([O-])ccc1Cl)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000425328236 405274436 /nfs/dbraw/zinc/27/44/36/405274436.db2.gz XKVOEAFKJLTMTN-UHFFFAOYSA-N -2 3 323.736 2.154 20 0 DEADHL Cc1oc(C)c(S(=O)(=O)[N-][C@H]2CCC[C@H](F)C2)c1C(=O)[O-] ZINC000568508273 292345701 /nfs/dbraw/zinc/34/57/01/292345701.db2.gz WYNPCXYLFBNZEJ-UWVGGRQHSA-N -2 3 319.354 2.154 20 0 DEADHL Cc1oc(C)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](F)C2)c1C(=O)[O-] ZINC000568508272 292345839 /nfs/dbraw/zinc/34/58/39/292345839.db2.gz WYNPCXYLFBNZEJ-NXEZZACHSA-N -2 3 319.354 2.154 20 0 DEADHL CCc1ccc([N-]S(=O)(=O)C[C@@H](CC)OC)c(C(=O)[O-])c1 ZINC000421158054 405452422 /nfs/dbraw/zinc/45/24/22/405452422.db2.gz RFTYWDYCIGPXKW-LLVKDONJSA-N -2 3 315.391 2.114 20 0 DEADHL C[C@H](C(=O)[O-])[C@@H]([N-]S(=O)(=O)c1ccoc1)c1ccccc1 ZINC000556772874 405529307 /nfs/dbraw/zinc/52/93/07/405529307.db2.gz DSVIJUDQZFEZJJ-GXFFZTMASA-N -2 3 309.343 2.020 20 0 DEADHL O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1c([O-])cccc1F ZINC000636320054 405886413 /nfs/dbraw/zinc/88/64/13/405886413.db2.gz CHUXWCIAPWSFBQ-UHFFFAOYSA-N -2 3 317.320 2.224 20 0 DEADHL Cc1cc(S(=O)(=O)[N-][C@H](C)CC2CCC2)oc1C(=O)[O-] ZINC000634654384 406209884 /nfs/dbraw/zinc/20/98/84/406209884.db2.gz HIZNGOTXULNAJI-SECBINFHSA-N -2 3 301.364 2.143 20 0 DEADHL C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000568997236 292383060 /nfs/dbraw/zinc/38/30/60/292383060.db2.gz IRYYBNBXSNQXFY-NXEZZACHSA-N -2 3 301.364 2.082 20 0 DEADHL O=C([O-])[C@H]1CCCN(Cc2cccc([O-])c2Br)C1 ZINC000635321769 406499237 /nfs/dbraw/zinc/49/92/37/406499237.db2.gz BXEZHNPZHPZYLD-JTQLQIEISA-N -2 3 314.179 2.451 20 0 DEADHL CC1(C)CC[C@@]([N-]S(=O)(=O)c2cccs2)(C(=O)[O-])C1 ZINC000551997010 406667109 /nfs/dbraw/zinc/66/71/09/406667109.db2.gz GNUCCRQBSWOZRJ-LBPRGKRZSA-N -2 3 303.405 2.060 20 0 DEADHL Cc1cccc2cc(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])sc21 ZINC000646004170 406739903 /nfs/dbraw/zinc/73/99/03/406739903.db2.gz FIVKFKFGNFOEBD-UHFFFAOYSA-N -2 3 313.400 2.351 20 0 DEADHL Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)o1 ZINC000645934742 406708718 /nfs/dbraw/zinc/70/87/18/406708718.db2.gz WZHHBQZOHBIIEC-MRVPVSSYSA-N -2 3 313.331 2.227 20 0 DEADHL O=S(=O)(CCOCC1CC1)[N-]c1cc(Cl)ccc1[O-] ZINC000643622787 407018754 /nfs/dbraw/zinc/01/87/54/407018754.db2.gz CWGDQNARCTUBGJ-UHFFFAOYSA-N -2 3 305.783 2.214 20 0 DEADHL CC[C@@H](C(=O)[O-])N(C)Cc1cccc([O-])c1Br ZINC000650804929 425058695 /nfs/dbraw/zinc/05/86/95/425058695.db2.gz NSVJPCHELRWANT-VIFPVBQESA-N -2 3 302.168 2.450 20 0 DEADHL Cc1cc(=O)[n-]c([C@@H](C)N(C)Cc2ccc(C(=O)[O-])cc2)n1 ZINC000652459395 425271946 /nfs/dbraw/zinc/27/19/46/425271946.db2.gz NRMAFXVKNGHWKJ-LLVKDONJSA-N -2 3 301.346 2.382 20 0 DEADHL Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)n1 ZINC000652498752 425283088 /nfs/dbraw/zinc/28/30/88/425283088.db2.gz RURIWASCBWZEGG-NWDGAFQWSA-N -2 3 307.394 2.374 20 0 DEADHL CSc1ccc([O-])c(C(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])c1 ZINC000659763853 425646508 /nfs/dbraw/zinc/64/65/08/425646508.db2.gz LBXASWIWRJFQIE-ZANVPECISA-N -2 3 309.387 2.439 20 0 DEADHL CSc1ccc([O-])c(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC000663056397 425787966 /nfs/dbraw/zinc/78/79/66/425787966.db2.gz NHHRKVJBRZRQPA-UWVGGRQHSA-N -2 3 309.387 2.439 20 0 DEADHL COc1cc(OC)cc(-c2noc([N-][C@H](C(=O)[O-])C(C)C)n2)c1 ZINC000662877809 425754607 /nfs/dbraw/zinc/75/46/07/425754607.db2.gz IHONFZQXLQARFG-LBPRGKRZSA-N -2 3 321.333 2.275 20 0 DEADHL CCC1(C[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)CCC1 ZINC000663423568 425838193 /nfs/dbraw/zinc/83/81/93/425838193.db2.gz WHUMPGJGQLLQPX-UHFFFAOYSA-N -2 3 301.364 2.145 20 0 DEADHL 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O=C(Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1)c1ncccc1[O-] ZINC001593226491 1076982442 /nfs/dbraw/zinc/98/24/42/1076982442.db2.gz PIDLIWRHTNTQGD-UHFFFAOYSA-N -2 3 322.328 2.097 20 0 DEADHL O=C(Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1)c1ncccc1[O-] ZINC001593226491 1076982447 /nfs/dbraw/zinc/98/24/47/1076982447.db2.gz PIDLIWRHTNTQGD-UHFFFAOYSA-N -2 3 322.328 2.097 20 0 DEADHL O=C([O-])CCOc1cccc(-c2cccc(-c3nnn[n-]3)c2)c1 ZINC001593278562 1076988659 /nfs/dbraw/zinc/98/86/59/1076988659.db2.gz MRXIAKUVHVXBJK-UHFFFAOYSA-N -2 3 310.313 2.387 20 0 DEADHL O=C([O-])CCOc1cccc(-c2cccc(-c3nn[n-]n3)c2)c1 ZINC001593278562 1076988663 /nfs/dbraw/zinc/98/86/63/1076988663.db2.gz MRXIAKUVHVXBJK-UHFFFAOYSA-N -2 3 310.313 2.387 20 0 DEADHL Cc1ccc([O-])c(CN[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)n1 ZINC001600465217 1077206953 /nfs/dbraw/zinc/20/69/53/1077206953.db2.gz SVBXMEDRBASFNM-OAHLLOKOSA-N -2 3 304.321 2.459 20 0 DEADHL O=C([O-])[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccccc1 ZINC001601361467 1077383831 /nfs/dbraw/zinc/38/38/31/1077383831.db2.gz LFRLKNYOKBMHMT-HNNXBMFYSA-N -2 3 303.289 2.016 20 0 DEADHL O=C([O-])c1ccccc1CNC(=O)Cc1ccc([O-])c(F)c1 ZINC001601361504 1077384178 /nfs/dbraw/zinc/38/41/78/1077384178.db2.gz MPUQLEJEWNRJOP-UHFFFAOYSA-N -2 3 303.289 2.088 20 0 DEADHL O=C([O-])C12CCC(C(=O)Nc3n[n-]c(-c4ccco4)n3)(CC1)C2 ZINC001601732292 1077442702 /nfs/dbraw/zinc/44/27/02/1077442702.db2.gz RNBNXTWPVTWVPV-UHFFFAOYSA-N -2 3 316.317 2.038 20 0 DEADHL Cc1cccnc1C(F)(F)C(=O)[N-]Cc1cc(C(=O)[O-])co1 ZINC001607888646 1077553235 /nfs/dbraw/zinc/55/32/35/1077553235.db2.gz WFVADYYRJMTDPC-UHFFFAOYSA-N -2 3 310.256 2.089 20 0 DEADHL Cc1nc2c(c(=O)[n-]1)CN(Cc1ccc(C(=O)[O-])c(Cl)c1)C2 ZINC001607967878 1077569552 /nfs/dbraw/zinc/56/95/52/1077569552.db2.gz JEKGBCVWXIHHLR-UHFFFAOYSA-N -2 3 319.748 2.358 20 0 DEADHL O=C([O-])[C@H](CNC(=O)c1c([O-])cccc1O)C1CCCCC1 ZINC001608419558 1077639358 /nfs/dbraw/zinc/63/93/58/1077639358.db2.gz MCWRIFOTHVCNMS-LLVKDONJSA-N -2 3 307.346 2.109 20 0 DEADHL O=C([O-])CCCO[N-]C(=O)[C@@H]1CSC[C@H]1c1ccccc1 ZINC001608716258 1077684016 /nfs/dbraw/zinc/68/40/16/1077684016.db2.gz DOPPBDIZXQXXRB-QWHCGFSZSA-N -2 3 309.387 2.046 20 0 DEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cn1 ZINC001608913607 1077719392 /nfs/dbraw/zinc/71/93/92/1077719392.db2.gz JCKWMUMMJVENGI-UHFFFAOYSA-N -2 3 312.734 2.234 20 0 DEADHL Cc1cscc1NC(=O)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001609444104 1077860589 /nfs/dbraw/zinc/86/05/89/1077860589.db2.gz JOXUZENSWSJZEV-UHFFFAOYSA-N -2 3 301.331 2.195 20 0 DEADHL CC(C)=CCC[C@@H](C)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001609682071 1077900701 /nfs/dbraw/zinc/90/07/01/1077900701.db2.gz NIQKKARBMLRADB-SECBINFHSA-N -2 3 318.420 2.255 20 0 DEADHL CC[C@H](OC(=O)c1cccc(Br)c1[O-])C(=O)[O-] ZINC001609938470 1077953852 /nfs/dbraw/zinc/95/38/52/1077953852.db2.gz NWPCLKHTEZHVMJ-QMMMGPOBSA-N -2 3 303.108 2.175 20 0 DEADHL CCOc1cc(C(=O)[N-]c2nc(CC)c(C(=O)[O-])s2)on1 ZINC001610039453 1077971060 /nfs/dbraw/zinc/97/10/60/1077971060.db2.gz WNUMVRRNQFIBKI-UHFFFAOYSA-N -2 3 311.319 2.043 20 0 DEADHL O=Nc1c(=O)[n-]c(=O)[nH]c1Nc1ccc(C(=O)[O-])c(F)c1F ZINC001212511871 1086243151 /nfs/dbraw/zinc/24/31/51/1086243151.db2.gz JYXLFUQZWQHAGU-UHFFFAOYSA-N -2 3 312.188 2.006 20 0 DEADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc(F)c([O-])c1 ZINC001258426289 1144005173 /nfs/dbraw/zinc/00/51/73/1144005173.db2.gz PNYNPWZVPVSPFC-UHFFFAOYSA-N -2 3 319.745 2.027 20 0 DEADHL O=S(=O)([N-]c1cncc([O-])c1)c1ccc(F)cc1Cl ZINC001258911604 1144052967 /nfs/dbraw/zinc/05/29/67/1144052967.db2.gz ZYYJNRRCDHABPO-UHFFFAOYSA-N -2 3 302.714 2.381 20 0 DEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C23CC(C2)C3)c(F)cc1Cl ZINC001259221434 1144077023 /nfs/dbraw/zinc/07/70/23/1144077023.db2.gz GTTKMOHQKNTNIZ-UHFFFAOYSA-N -2 3 319.741 2.008 20 0 DEADHL Cc1ccc([O-])c([N-]S(=O)(=O)CCc2ccc(F)cc2)n1 ZINC001259754926 1144125263 /nfs/dbraw/zinc/12/52/63/1144125263.db2.gz MDYSJFYXGHEXPT-UHFFFAOYSA-N -2 3 310.350 2.219 20 0 DEADHL COc1ccc(CS(=O)(=O)[N-]c2ccc(F)cc2[O-])cc1 ZINC001259899697 1144155823 /nfs/dbraw/zinc/15/58/23/1144155823.db2.gz UKHVLXLFVADQPX-UHFFFAOYSA-N -2 3 311.334 2.482 20 0 DEADHL O=S(=O)([N-]c1cc2ccccc2cc1[O-])C1CCOCC1 ZINC001259914573 1144157432 /nfs/dbraw/zinc/15/74/32/1144157432.db2.gz YVVKPCOHWVSFCG-UHFFFAOYSA-N -2 3 307.371 2.466 20 0 DEADHL COc1ccc(S(=O)(=O)[N-]c2cncc([O-])c2)cc1Cl ZINC001260968087 1144214040 /nfs/dbraw/zinc/21/40/40/1144214040.db2.gz QVYDWKDBJREBPT-UHFFFAOYSA-N -2 3 314.750 2.250 20 0 DEADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000087496218 185226735 /nfs/dbraw/zinc/22/67/35/185226735.db2.gz CBWWYEWLXMZWRN-MRVPVSSYSA-N -2 3 323.773 2.114 20 0 DEADHL COc1ccc(C(=O)N[C@@H](C(=O)[O-])C2CCCCC2)c([O-])c1 ZINC000315125508 356422671 /nfs/dbraw/zinc/42/26/71/356422671.db2.gz SYZVGVDMIGXYQV-CQSZACIVSA-N -2 3 307.346 2.164 20 0 DEADHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)C(=O)[O-] ZINC000401306763 283160093 /nfs/dbraw/zinc/16/00/93/283160093.db2.gz NEGQZHLPOUNDJJ-NSHDSACASA-N -2 3 321.345 2.133 20 0 DEADHL O=C([O-])c1cnc(C=Cc2cnn(-c3ccccc3)c2)[n-]c1=O ZINC000670369803 540926567 /nfs/dbraw/zinc/92/65/67/540926567.db2.gz CNBUMZZMMKHRCR-VOTSOKGWSA-N -2 3 308.297 2.237 20 0 DEADHL O=C([O-])c1cnc(C=Cc2cnn(-c3ccccc3)c2)[n-]c1=O ZINC000670369802 540926635 /nfs/dbraw/zinc/92/66/35/540926635.db2.gz CNBUMZZMMKHRCR-SREVYHEPSA-N -2 3 308.297 2.237 20 0 DEADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccsc1)c1cccs1 ZINC000671644616 540995519 /nfs/dbraw/zinc/99/55/19/540995519.db2.gz GNSKLFHRTGBHJH-VIFPVBQESA-N -2 3 317.413 2.304 20 0 DEADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2ccc(Cl)o2)c1 ZINC000674012099 541173813 /nfs/dbraw/zinc/17/38/13/541173813.db2.gz RLADUSVVDNKJJF-UHFFFAOYSA-N -2 3 321.763 2.171 20 0 DEADHL C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC000092114142 193162643 /nfs/dbraw/zinc/16/26/43/193162643.db2.gz ODUWIISBWCOINO-GXSJLCMTSA-N -2 3 315.366 2.381 20 0 DEADHL O=C([O-])[C@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1cccs1 ZINC000275050871 212094804 /nfs/dbraw/zinc/09/48/04/212094804.db2.gz SISPVJXFHUQTEI-QWRGUYRKSA-N -2 3 317.432 2.450 20 0 DEADHL O=C([O-])[C@H]1CCCCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000263435647 304178962 /nfs/dbraw/zinc/17/89/62/304178962.db2.gz OLPPQNBTXKNJDA-CQSZACIVSA-N -2 3 303.358 2.350 20 0 DEADHL CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000563076411 292029900 /nfs/dbraw/zinc/02/99/00/292029900.db2.gz YKVIAPWVRZIHMO-DTWKUNHWSA-N -2 3 318.420 2.088 20 0 DEADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000547577234 285602800 /nfs/dbraw/zinc/60/28/00/285602800.db2.gz HQIJKHLXQYFHRV-QMMMGPOBSA-N -2 3 323.773 2.258 20 0 DEADHL CC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000035085751 401895101 /nfs/dbraw/zinc/89/51/01/401895101.db2.gz FRYGVADVJLPADB-QMMMGPOBSA-N -2 3 312.174 2.135 20 0 DEADHL O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1[O-] ZINC000121667793 402047954 /nfs/dbraw/zinc/04/79/54/402047954.db2.gz JBBSBSKGMAAJNK-UHFFFAOYSA-N -2 3 315.720 2.478 20 0 DEADHL O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1[O-] ZINC000121667793 402047955 /nfs/dbraw/zinc/04/79/55/402047955.db2.gz JBBSBSKGMAAJNK-UHFFFAOYSA-N -2 3 315.720 2.478 20 0 DEADHL Cc1cc(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])sc1Cl ZINC000231807765 402356412 /nfs/dbraw/zinc/35/64/12/402356412.db2.gz FHQRFECUARWVCQ-UHFFFAOYSA-N -2 3 311.812 2.099 20 0 DEADHL CCC1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CCCC1 ZINC000233073711 402358356 /nfs/dbraw/zinc/35/83/56/402358356.db2.gz MFBGFGNMRVFWSI-UHFFFAOYSA-N -2 3 301.364 2.227 20 0 DEADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCC1 ZINC000164952632 402471577 /nfs/dbraw/zinc/47/15/77/402471577.db2.gz REXYHDQTGJSSDQ-UHFFFAOYSA-N -2 3 324.185 2.279 20 0 DEADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)CCC(F)(F)F)c1 ZINC000171332758 402578666 /nfs/dbraw/zinc/57/86/66/402578666.db2.gz SIWIHRQEFUVASW-UHFFFAOYSA-N -2 3 315.244 2.218 20 0 DEADHL Cc1cc(S(=O)(=O)[N-]CCC[C@@H](C)C(=O)[O-])c(F)cc1F ZINC000274945999 403098022 /nfs/dbraw/zinc/09/80/22/403098022.db2.gz HCQZKVVMJDHPCU-MRVPVSSYSA-N -2 3 321.345 2.052 20 0 DEADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C)CC(=O)[O-] ZINC000340456248 403619377 /nfs/dbraw/zinc/61/93/77/403619377.db2.gz PLJITZNYBIYAAY-ZETCQYMHSA-N -2 3 315.322 2.022 20 0 DEADHL COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1CC(=O)[O-] ZINC000340911580 403694662 /nfs/dbraw/zinc/69/46/62/403694662.db2.gz FZYZQINCBWSQPC-UHFFFAOYSA-N -2 3 321.354 2.123 20 0 DEADHL O=C([O-])C[C@H]1CCCN(C(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000320515559 404067002 /nfs/dbraw/zinc/06/70/02/404067002.db2.gz NOPOBDFAMCYFJR-LLVKDONJSA-N -2 3 314.341 2.267 20 0 DEADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@@H]2CC[C@H](F)C2)c1 ZINC000352180145 404195975 /nfs/dbraw/zinc/19/59/75/404195975.db2.gz IUMBTWKFQQYSCB-DTWKUNHWSA-N -2 3 319.329 2.001 20 0 DEADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@H]2CCC[C@H]2F)c1 ZINC000414334929 404581061 /nfs/dbraw/zinc/58/10/61/404581061.db2.gz GPHPGTURPKRBOL-ZJUUUORDSA-N -2 3 319.329 2.001 20 0 DEADHL O=C(Nc1cc(Br)cc(Cl)c1[O-])c1nc[n-]n1 ZINC000342597674 404670964 /nfs/dbraw/zinc/67/09/64/404670964.db2.gz JNSRXQPQVWSLGF-UHFFFAOYSA-N -2 3 317.530 2.179 20 0 DEADHL COc1ccc([C@@H](NC(=O)c2ccc(C)cc2[O-])C(=O)[O-])cc1 ZINC000436782409 405139057 /nfs/dbraw/zinc/13/90/57/405139057.db2.gz BQHJYYSFLDEEKO-OAHLLOKOSA-N -2 3 315.325 2.265 20 0 DEADHL O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc([O-])c(Cl)c1 ZINC000368001746 405213487 /nfs/dbraw/zinc/21/34/87/405213487.db2.gz PUFKDLOELNIHGN-UHFFFAOYSA-N -2 3 315.720 2.478 20 0 DEADHL O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc([O-])c(Cl)c1 ZINC000368001746 405213491 /nfs/dbraw/zinc/21/34/91/405213491.db2.gz PUFKDLOELNIHGN-UHFFFAOYSA-N -2 3 315.720 2.478 20 0 DEADHL O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc(F)c([O-])c(F)c1 ZINC000368002915 405213880 /nfs/dbraw/zinc/21/38/80/405213880.db2.gz UIKJJOFLGICOKK-UHFFFAOYSA-N -2 3 317.255 2.103 20 0 DEADHL O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc(F)c([O-])c(F)c1 ZINC000368002915 405213881 /nfs/dbraw/zinc/21/38/81/405213881.db2.gz UIKJJOFLGICOKK-UHFFFAOYSA-N -2 3 317.255 2.103 20 0 DEADHL CCCC[C@@H](CC)C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000583932343 405790678 /nfs/dbraw/zinc/79/06/78/405790678.db2.gz HUQWXBGOTSPGRV-SECBINFHSA-N -2 3 320.436 2.336 20 0 DEADHL CC(C)CC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000569453483 406257286 /nfs/dbraw/zinc/25/72/86/406257286.db2.gz VYORDOJRGNRDQA-UHFFFAOYSA-N -2 3 301.364 2.082 20 0 DEADHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000547577232 406423199 /nfs/dbraw/zinc/42/31/99/406423199.db2.gz HQIJKHLXQYFHRV-MRVPVSSYSA-N -2 3 323.773 2.258 20 0 DEADHL CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000547932410 406459580 /nfs/dbraw/zinc/45/95/80/406459580.db2.gz BRNAQGWIURXYQF-PWSUYJOCSA-N -2 3 317.382 2.384 20 0 DEADHL CC1CCC(C)([N-]S(=O)(=O)c2scnc2C(=O)[O-])CC1 ZINC000570088982 292462242 /nfs/dbraw/zinc/46/22/42/292462242.db2.gz UJFYTKPSSDFYBH-UHFFFAOYSA-N -2 3 318.420 2.088 20 0 DEADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(Cl)c(F)c2)CCCC1 ZINC000650229618 424965505 /nfs/dbraw/zinc/96/55/05/424965505.db2.gz FNXSCIPOHCGLQI-UHFFFAOYSA-N -2 3 321.757 2.155 20 0 DEADHL C[C@@H]1CC(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C[C@@H](C)C1 ZINC000656716057 425171608 /nfs/dbraw/zinc/17/16/08/425171608.db2.gz CGBOFHDLEFIROX-UWVGGRQHSA-N -2 3 315.391 2.328 20 0 DEADHL Cc1cc(=O)[n-]c([C@H](C)N2Cc3ccccc3[C@H](C(=O)[O-])C2)n1 ZINC000652469856 425276064 /nfs/dbraw/zinc/27/60/64/425276064.db2.gz GUWIOQXUXSTZOH-SMDDNHRTSA-N -2 3 313.357 2.236 20 0 DEADHL CSc1ccc([O-])c(C(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])c1 ZINC000659763852 425646149 /nfs/dbraw/zinc/64/61/49/425646149.db2.gz LBXASWIWRJFQIE-TVQRCGJNSA-N -2 3 309.387 2.439 20 0 DEADHL O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc3ccccc3c2F)C1 ZINC000573557398 326068684 /nfs/dbraw/zinc/06/86/84/326068684.db2.gz ABENOZDBXNJJPU-XYPYZODXSA-N -2 3 323.345 2.120 20 0 DEADHL CC[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000576870226 326325221 /nfs/dbraw/zinc/32/52/21/326325221.db2.gz OYAGWYBSHIGFKF-MWLCHTKSSA-N -2 3 301.364 2.225 20 0 DEADHL CCCC1(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])CCC1 ZINC000580322472 333161007 /nfs/dbraw/zinc/16/10/07/333161007.db2.gz QDHZYWTZHHWVAS-UHFFFAOYSA-N -2 3 318.420 2.090 20 0 DEADHL Cc1cc(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])c(Cl)cc1F ZINC000583600659 335763617 /nfs/dbraw/zinc/76/36/17/335763617.db2.gz IOPPUXUIHLQDRU-UHFFFAOYSA-N -2 3 323.773 2.319 20 0 DEADHL CC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000035651049 337349408 /nfs/dbraw/zinc/34/94/08/337349408.db2.gz VGAHEPLSXXZYHW-ZETCQYMHSA-N -2 3 321.782 2.124 20 0 DEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C2CC(c3ccccc3)C2)o1 ZINC000740172669 599778453 /nfs/dbraw/zinc/77/84/53/599778453.db2.gz CSGDGAIJSPTCHW-UHFFFAOYSA-N -2 3 321.354 2.202 20 0 DEADHL O=C([O-])CCCCCC[N-]S(=O)(=O)c1cccnc1Cl ZINC000036813445 600443724 /nfs/dbraw/zinc/44/37/24/600443724.db2.gz NVXHKFRRLKAMAL-UHFFFAOYSA-N -2 3 320.798 2.048 20 0 DEADHL Cc1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1C(=O)[O-] ZINC000832949218 601294485 /nfs/dbraw/zinc/29/44/85/601294485.db2.gz QGEYZBUIGZYTDW-OQLLNIDSSA-N -2 3 322.320 2.416 20 0 DEADHL C[C@H]1C[C@H](C)CN(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)C1 ZINC000828167359 602113925 /nfs/dbraw/zinc/11/39/25/602113925.db2.gz FUEADRWISRFVGJ-IUCAKERBSA-N -2 3 318.420 2.081 20 0 DEADHL CCc1cccc(C(=O)N(C)CC(C)(C)CNC(=O)[O-])c1[O-] ZINC000827595083 603544222 /nfs/dbraw/zinc/54/42/22/603544222.db2.gz LMCPOERDUDZELF-UHFFFAOYSA-N -2 3 308.378 2.320 20 0 DEADHL CN(Cc1cccc(NC(=O)c2c([O-])cccc2O)c1)C(=O)[O-] ZINC000828375648 603597025 /nfs/dbraw/zinc/59/70/25/603597025.db2.gz OIYKTECWCZLRSS-UHFFFAOYSA-N -2 3 316.313 2.460 20 0 DEADHL O=C([O-])N[C@H]1CCCCCC[C@H]1C(=O)[N-]OCC(F)(F)F ZINC000832357203 605139060 /nfs/dbraw/zinc/13/90/60/605139060.db2.gz GOFSOHTZESMDTN-BDAKNGLRSA-N -2 3 312.288 2.203 20 0 DEADHL Cc1c(NC(=O)CC(C)(C)CC(=O)[O-])cccc1-c1nnn[n-]1 ZINC000822068052 607252046 /nfs/dbraw/zinc/25/20/46/607252046.db2.gz PHBBLHNJTDEGJR-UHFFFAOYSA-N -2 3 317.349 2.005 20 0 DEADHL Cc1c(NC(=O)CC(C)(C)CC(=O)[O-])cccc1-c1nn[n-]n1 ZINC000822068052 607252047 /nfs/dbraw/zinc/25/20/47/607252047.db2.gz PHBBLHNJTDEGJR-UHFFFAOYSA-N -2 3 317.349 2.005 20 0 DEADHL Cc1ccc(S(=O)(=O)[N-][C@H](CCCC(C)C)C(=O)[O-])o1 ZINC000903029645 643231295 /nfs/dbraw/zinc/23/12/95/643231295.db2.gz MAHQAOIBMCMNBA-LLVKDONJSA-N -2 3 303.380 2.146 20 0 DEADHL O=C([O-])[C@H]1CN(CCC2(C(=O)[O-])CCC2)Cc2ccccc21 ZINC000903706344 643436252 /nfs/dbraw/zinc/43/62/52/643436252.db2.gz HWSQKLDWEULKLU-AWEZNQCLSA-N -2 3 303.358 2.315 20 0 DEADHL Cn1[n-]cc2c(=NC(=O)Nc3ccc([O-])c(Cl)c3)ccnc1-2 ZINC000806489729 645835437 /nfs/dbraw/zinc/83/54/37/645835437.db2.gz BLCUFHHYISKPMW-UHFFFAOYSA-N -2 3 317.736 2.345 20 0 DEADHL CCOc1cncc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c1 ZINC000857202737 652077688 /nfs/dbraw/zinc/07/76/88/652077688.db2.gz SHSGNZARVTZHDU-SNAWJCMRSA-N -2 3 315.329 2.082 20 0 DEADHL O=C([N-]CC1CN(Cc2cccc([O-])c2Cl)C1)C(F)(F)F ZINC000877776322 690223736 /nfs/dbraw/zinc/22/37/36/690223736.db2.gz FWOFVTYXSTXZHN-UHFFFAOYSA-N -2 3 322.714 2.156 20 0 DEADHL O=C1[N-]S(=O)(=O)c2cc(Nc3ccc(Cl)c([O-])c3)ccc21 ZINC001212592984 785293890 /nfs/dbraw/zinc/29/38/90/785293890.db2.gz ALUJJGBLNBQPHD-UHFFFAOYSA-N -2 3 324.745 2.221 20 0 DEADHL O=C([O-])C(F)(F)C(F)(F)C(=O)[N-]C[C@@H]1CCCC(F)(F)C1 ZINC001180176641 795248309 /nfs/dbraw/zinc/24/83/09/795248309.db2.gz JPMQDBQTRWBMLU-ZCFIWIBFSA-N -2 3 321.217 2.283 20 0 DEADHL O=C(NCCCCP(=O)([O-])[O-])[C@H]1C[C@H]1c1ccccc1F ZINC001182290755 795640232 /nfs/dbraw/zinc/64/02/32/795640232.db2.gz JZZBZUQCHRAINY-RYUDHWBXSA-N -2 3 315.281 2.003 20 0 DEADHL C[C@H](NC(=O)NCCCCP(=O)([O-])[O-])C1CCCCC1 ZINC001186404426 796398961 /nfs/dbraw/zinc/39/89/61/796398961.db2.gz KQDOYEOUQBFMNM-NSHDSACASA-N -2 3 306.343 2.212 20 0 DEADHL O=S(=O)(CCCF)[N-]c1cc(Br)ccc1[O-] ZINC001189906925 796899489 /nfs/dbraw/zinc/89/94/89/796899489.db2.gz VWKHTYNUOWOPDR-UHFFFAOYSA-N -2 3 312.160 2.256 20 0 DEADHL CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2[S-])cc1 ZINC001191611817 797236666 /nfs/dbraw/zinc/23/66/66/797236666.db2.gz DWMOSAJRMDASRL-UHFFFAOYSA-N -2 3 322.411 2.136 20 0 DEADHL O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc([O-])c(F)c1F ZINC001192839394 797460042 /nfs/dbraw/zinc/46/00/42/797460042.db2.gz FLHPFDYTORDQRK-UHFFFAOYSA-N -2 3 317.255 2.103 20 0 DEADHL O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc([O-])c(F)c1F ZINC001192839394 797460047 /nfs/dbraw/zinc/46/00/47/797460047.db2.gz FLHPFDYTORDQRK-UHFFFAOYSA-N -2 3 317.255 2.103 20 0 DEADHL O=C(Nc1cc(F)cc(F)c1[O-])c1cnc(C2CC2)[n-]c1=O ZINC001162295854 799053455 /nfs/dbraw/zinc/05/34/55/799053455.db2.gz ODMGQTPNZAFPOF-UHFFFAOYSA-N -2 3 307.256 2.296 20 0 DEADHL O=c1nc2cn[n-]c2c(O[C@H](c2ccccc2)c2ccccn2)[n-]1 ZINC001233938624 802246566 /nfs/dbraw/zinc/24/65/66/802246566.db2.gz DKELCOUOUHRTNW-OAHLLOKOSA-N -2 3 319.324 2.210 20 0 DEADHL Cc1cn2c(n1)[C@H](Oc1nc3ncnc-3c([S-])[n-]1)CCC2 ZINC001226787188 803159530 /nfs/dbraw/zinc/15/95/30/803159530.db2.gz WAQQYDFGPDAVPF-MRVPVSSYSA-N -2 3 302.363 2.060 20 0 DEADHL COc1ccc([O-])c(C(=O)Nc2ccc(C(=O)[O-])c(OC)c2)c1 ZINC000323310693 970988456 /nfs/dbraw/zinc/98/84/56/970988456.db2.gz PUFPJHALKASHLQ-UHFFFAOYSA-N -2 3 317.297 2.360 20 0 DEADHL O=C([O-])CC[C@@H]1C[C@H](C(=O)Nc2c([O-])cccc2Cl)CO1 ZINC001595005517 951194119 /nfs/dbraw/zinc/19/41/19/951194119.db2.gz NVMFIDZQAVSEOD-DTWKUNHWSA-N -2 3 313.737 2.254 20 0 DEADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2CCC2)c(F)cc1Cl ZINC001259212552 960664204 /nfs/dbraw/zinc/66/42/04/960664204.db2.gz RPGIYEZFEWVAGB-UHFFFAOYSA-N -2 3 307.730 2.008 20 0 DEADHL CC(C)[C@H](CNC(=O)CCCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC001588821355 961623578 /nfs/dbraw/zinc/62/35/78/961623578.db2.gz VHBGCFZBVLMBTG-LBPRGKRZSA-N -2 3 311.353 2.327 20 0 DEADHL O=C([O-])C=Cc1cc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)co1 ZINC001574666844 962522068 /nfs/dbraw/zinc/52/20/68/962522068.db2.gz IVJOCSULDXHWGM-DUXPYHPUSA-N -2 3 313.269 2.212 20 0 DEADHL CCC[C@](C)(NC(=O)c1cc(=O)c2ccccc2[n-]1)C(=O)[O-] ZINC000314219434 963727290 /nfs/dbraw/zinc/72/72/90/963727290.db2.gz ASPIYZUTRZYACS-INIZCTEOSA-N -2 3 302.330 2.314 20 0 DEADHL CC(C)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1ccccc1 ZINC000315317468 963880414 /nfs/dbraw/zinc/88/04/14/963880414.db2.gz BAWMTDFJQCDUJK-ZDUSSCGKSA-N -2 3 324.358 2.048 20 0 DEADHL COc1cccc([O-])c1C(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC000404645621 968326944 /nfs/dbraw/zinc/32/69/44/968326944.db2.gz GLNMSBUCOKUOAK-NSHDSACASA-N -2 3 309.362 2.268 20 0 DEADHL C[C@@H](CC(=O)[O-])C(=O)OCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001592364841 977858371 /nfs/dbraw/zinc/85/83/71/977858371.db2.gz DBVBHNQPYCZJER-JTQLQIEISA-N -2 3 316.313 2.003 20 0 DEADHL CCc1ccc2nccc(N(CCC(=O)[O-])CC(=O)[O-])c2c1 ZINC001597570349 988341938 /nfs/dbraw/zinc/34/19/38/988341938.db2.gz DSMPIIMALLYTBT-UHFFFAOYSA-N -2 3 302.330 2.163 20 0 DEADHL CSc1ccc([O-])c(C(=O)N2CCC(CC(=O)[O-])CC2)c1 ZINC001599820401 988502905 /nfs/dbraw/zinc/50/29/05/988502905.db2.gz XMIDWJCWYCVUMO-UHFFFAOYSA-N -2 3 309.387 2.441 20 0 DEADHL CC(C)(C)c1nsc([N-]C(=O)c2csc(C(=O)[O-])n2)n1 ZINC001590588704 990239213 /nfs/dbraw/zinc/23/92/13/990239213.db2.gz JEVJOWNQMLMANR-UHFFFAOYSA-N -2 3 312.376 2.243 20 0 DEADHL C[C@@H]1CCN(Cc2nnc(-c3ccccc3[O-])o2)[C@H](C(=O)[O-])C1 ZINC001594426991 999596227 /nfs/dbraw/zinc/59/62/27/999596227.db2.gz LERMRFYLAKBWOZ-PWSUYJOCSA-N -2 3 317.345 2.127 20 0 DEADHL CCCC[C@@H](Sc1cc(C)ncc1-c1nnn[n-]1)C(=O)[O-] ZINC001604167064 1070258232 /nfs/dbraw/zinc/25/82/32/1070258232.db2.gz QGDPGYPRQQMAEA-SNVBAGLBSA-N -2 3 307.379 2.306 20 0 DEADHL CCCC[C@@H](Sc1cc(C)ncc1-c1nn[n-]n1)C(=O)[O-] ZINC001604167064 1070258245 /nfs/dbraw/zinc/25/82/45/1070258245.db2.gz QGDPGYPRQQMAEA-SNVBAGLBSA-N -2 3 307.379 2.306 20 0 DEADHL C[C@H](CN(Cc1nc(=O)c2sccc2[n-]1)C1CC1)C(=O)[O-] ZINC001604165736 1070257662 /nfs/dbraw/zinc/25/76/62/1070257662.db2.gz MPQOQKSLHFVJPJ-MRVPVSSYSA-N -2 3 307.375 2.082 20 0 DEADHL Cc1cccc([C@H](C)C(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)c1 ZINC001605907566 1070972204 /nfs/dbraw/zinc/97/22/04/1070972204.db2.gz ZUPRQYLJHCPKST-LBPRGKRZSA-N -2 3 323.356 2.389 20 0 DEADHL Cc1cccc([C@H](C)C(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)c1 ZINC001605907566 1070972212 /nfs/dbraw/zinc/97/22/12/1070972212.db2.gz ZUPRQYLJHCPKST-LBPRGKRZSA-N -2 3 323.356 2.389 20 0 DEADHL O=C([O-])CSc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001606958561 1071255075 /nfs/dbraw/zinc/25/50/75/1071255075.db2.gz XQSYYTDUFKKVLZ-UHFFFAOYSA-N -2 3 304.253 2.062 20 0 DEADHL O=C([O-])CSc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001606958561 1071255082 /nfs/dbraw/zinc/25/50/82/1071255082.db2.gz XQSYYTDUFKKVLZ-UHFFFAOYSA-N -2 3 304.253 2.062 20 0 DEADHL O=C(Nc1ccccc1-c1nnn[n-]1)c1ccc(Cl)c([O-])c1 ZINC001641959454 1078737469 /nfs/dbraw/zinc/73/74/69/1078737469.db2.gz IMLILGRWHQYBDN-UHFFFAOYSA-N -2 3 315.720 2.478 20 0 DEADHL O=C(Nc1ccccc1-c1nn[n-]n1)c1ccc(Cl)c([O-])c1 ZINC001641959454 1078737479 /nfs/dbraw/zinc/73/74/79/1078737479.db2.gz IMLILGRWHQYBDN-UHFFFAOYSA-N -2 3 315.720 2.478 20 0 DEADHL Cc1cccc([O-])c1C(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001574165126 1069170081 /nfs/dbraw/zinc/17/00/81/1069170081.db2.gz CRZHIYURUKYJGY-CQSZACIVSA-N -2 3 313.353 2.374 20 0 DEADHL O=C(Nc1cc(F)cc(-c2nnn[n-]2)c1)c1cccc(F)c1[O-] ZINC001582635128 1076170958 /nfs/dbraw/zinc/17/09/58/1076170958.db2.gz BEQDNBKETOMTPO-UHFFFAOYSA-N -2 3 317.255 2.103 20 0 DEADHL O=C(Nc1cc(F)cc(-c2nn[n-]n2)c1)c1cccc(F)c1[O-] ZINC001582635128 1076170961 /nfs/dbraw/zinc/17/09/61/1076170961.db2.gz BEQDNBKETOMTPO-UHFFFAOYSA-N -2 3 317.255 2.103 20 0 DEADHL C[C@@H](CNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001589877280 1076523355 /nfs/dbraw/zinc/52/33/55/1076523355.db2.gz XDCMGPPHHJOHTL-LURJTMIESA-N -2 3 315.255 2.018 20 0 DEADHL C[C@@H](CNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)C(=O)[O-] ZINC001589877280 1076523360 /nfs/dbraw/zinc/52/33/60/1076523360.db2.gz XDCMGPPHHJOHTL-LURJTMIESA-N -2 3 315.255 2.018 20 0 DEADHL C[C@@H]1CCN(c2cc(Cl)ccc2-c2nnn[n-]2)C[C@H]1C(=O)[O-] ZINC001590277241 1076605689 /nfs/dbraw/zinc/60/56/89/1076605689.db2.gz UYYDNGPYFXXACR-LDYMZIIASA-N -2 3 321.768 2.067 20 0 DEADHL C[C@@H]1CCN(c2cc(Cl)ccc2-c2nn[n-]n2)C[C@H]1C(=O)[O-] ZINC001590277241 1076605691 /nfs/dbraw/zinc/60/56/91/1076605691.db2.gz UYYDNGPYFXXACR-LDYMZIIASA-N -2 3 321.768 2.067 20 0 DEADHL CCc1cccc(CC(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)c1 ZINC001590896715 1076690779 /nfs/dbraw/zinc/69/07/79/1076690779.db2.gz MRLBFXXDQQSSBM-UHFFFAOYSA-N -2 3 323.356 2.082 20 0 DEADHL CCc1cccc(CC(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)c1 ZINC001590896715 1076690781 /nfs/dbraw/zinc/69/07/81/1076690781.db2.gz MRLBFXXDQQSSBM-UHFFFAOYSA-N -2 3 323.356 2.082 20 0 DEADHL COc1ccc(-c2cc(C=O)cc(C(=O)[O-])c2)c(-c2nnn[n-]2)c1 ZINC001591556106 1076758421 /nfs/dbraw/zinc/75/84/21/1076758421.db2.gz RGTJUOSBMXQFKC-UHFFFAOYSA-N -2 3 324.296 2.053 20 0 DEADHL COc1ccc(-c2cc(C=O)cc(C(=O)[O-])c2)c(-c2nn[n-]n2)c1 ZINC001591556106 1076758423 /nfs/dbraw/zinc/75/84/23/1076758423.db2.gz RGTJUOSBMXQFKC-UHFFFAOYSA-N -2 3 324.296 2.053 20 0 DEADHL Cc1cccc([C@H](C)C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1 ZINC001600515646 1077214166 /nfs/dbraw/zinc/21/41/66/1077214166.db2.gz VOZUUTREDNXHSW-LLVKDONJSA-N -2 3 323.370 2.368 20 0 DEADHL O=C([O-])c1c(F)cc(NC(=O)[N-]O[C@H]2CCCCO2)cc1F ZINC001601563223 1077411454 /nfs/dbraw/zinc/41/14/54/1077411454.db2.gz JJVPZJGJIBBAQZ-JTQLQIEISA-N -2 3 316.260 2.243 20 0 DEADHL COc1cc(C(=O)OCc2occc2C(=O)[O-])cc(OC)c1[O-] ZINC001610289025 1078000190 /nfs/dbraw/zinc/00/01/90/1078000190.db2.gz JCDWDAFWZMDXOK-UHFFFAOYSA-N -2 3 322.269 2.058 20 0 DEADHL COc1ccc(-c2ccc(F)c(-c3nnn[n-]3)c2)cc1C(=O)[O-] ZINC001241875120 1139859213 /nfs/dbraw/zinc/85/92/13/1139859213.db2.gz TYACPCVYSXEZBX-UHFFFAOYSA-N -2 3 314.276 2.380 20 0 DEADHL COc1ccc(-c2ccc(F)c(-c3nn[n-]n3)c2)cc1C(=O)[O-] ZINC001241875120 1139859214 /nfs/dbraw/zinc/85/92/14/1139859214.db2.gz TYACPCVYSXEZBX-UHFFFAOYSA-N -2 3 314.276 2.380 20 0 DEADHL COc1cc(C(=O)[O-])cc(-c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC001244177608 1140317978 /nfs/dbraw/zinc/31/79/78/1140317978.db2.gz BEMMTOGMNWOZBJ-UHFFFAOYSA-N -2 3 314.276 2.380 20 0 DEADHL COc1cc(C(=O)[O-])cc(-c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC001244177608 1140317980 /nfs/dbraw/zinc/31/79/80/1140317980.db2.gz BEMMTOGMNWOZBJ-UHFFFAOYSA-N -2 3 314.276 2.380 20 0 DEADHL Cc1cc2c(c(-c3cc([O-])c(F)c(F)c3F)n1)C(=O)[N-]C2=O ZINC001245634932 1140803567 /nfs/dbraw/zinc/80/35/67/1140803567.db2.gz OFHYMZLZJFHTJL-UHFFFAOYSA-N -2 3 308.215 2.064 20 0 DEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)c(O)c2)cc1 ZINC001260228233 1144182580 /nfs/dbraw/zinc/18/25/80/1144182580.db2.gz NDYNVQZVPUCJED-UHFFFAOYSA-N -2 3 311.290 2.030 20 0 DEADHL O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc([O-])c(Cl)c1 ZINC001290405320 1146836006 /nfs/dbraw/zinc/83/60/06/1146836006.db2.gz PFYXVPBLKKOXLU-UHFFFAOYSA-N -2 3 315.720 2.478 20 0 DEADHL COc1ccc([N-]S(=O)(=O)CCc2ccccc2)c([O-])c1 ZINC000223865411 539729513 /nfs/dbraw/zinc/72/95/13/539729513.db2.gz FVAHWWDFTIJWGH-UHFFFAOYSA-N -2 3 307.371 2.385 20 0 DEADHL C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)[C@@H](C)C1 ZINC000226175293 539730665 /nfs/dbraw/zinc/73/06/65/539730665.db2.gz XYWIPELZQWERAF-KXUCPTDWSA-N -2 3 301.364 2.081 20 0 DEADHL Cc1cc(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)sc1Cl ZINC000231807782 356285088 /nfs/dbraw/zinc/28/50/88/356285088.db2.gz KSTAGTOYGOYLNB-UHFFFAOYSA-N -2 3 323.823 2.243 20 0 DEADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)CCC2CCC2)c1 ZINC000312846691 356412955 /nfs/dbraw/zinc/41/29/55/356412955.db2.gz OKGIAXZRFOPVHZ-UHFFFAOYSA-N -2 3 301.339 2.456 20 0 DEADHL CCSCC[C@H](C)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000596089745 358608572 /nfs/dbraw/zinc/60/85/72/358608572.db2.gz VIJSBMYWVBSVME-VIFPVBQESA-N -2 3 321.420 2.096 20 0 DEADHL O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1cccs1 ZINC000094744885 304101580 /nfs/dbraw/zinc/10/15/80/304101580.db2.gz DNFDVRCPIRBBPA-ZJUUUORDSA-N -2 3 303.405 2.060 20 0 DEADHL O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000094744775 193394833 /nfs/dbraw/zinc/39/48/33/193394833.db2.gz MPICMBVYBJCCNA-PWSUYJOCSA-N -2 3 315.366 2.138 20 0 DEADHL C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000021035848 182262252 /nfs/dbraw/zinc/26/22/52/182262252.db2.gz VPWFOXQKOIPCIH-CABZTGNLSA-N -2 3 315.366 2.381 20 0 DEADHL CC1N=NC(C(=O)Nc2ccc(OC(F)(F)F)cc2[O-])=C1[O-] ZINC000682388890 542291397 /nfs/dbraw/zinc/29/13/97/542291397.db2.gz GZBMHTREDVCVJG-UHFFFAOYSA-N -2 3 317.223 2.280 20 0 DEADHL Cc1cccc(F)c1S(=O)(=O)[N-]Cc1ccc(C(=O)[O-])cc1 ZINC000361999116 133204449 /nfs/dbraw/zinc/20/44/49/133204449.db2.gz HLTPLQAFNQTWMZ-UHFFFAOYSA-N -2 3 323.345 2.311 20 0 DEADHL Cc1c([N-]S(=O)(=O)c2ccc(N)cc2)cccc1C(=O)[O-] ZINC000548234585 285705138 /nfs/dbraw/zinc/70/51/38/285705138.db2.gz JXHFMPFRWQJPNV-UHFFFAOYSA-N -2 3 306.343 2.076 20 0 DEADHL CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cnc(C)s1)C(=O)[O-] ZINC000548263210 285707632 /nfs/dbraw/zinc/70/76/32/285707632.db2.gz TXRREMCRKPDQRS-PSASIEDQSA-N -2 3 320.436 2.009 20 0 DEADHL COc1ccc([O-])c(C(=O)NCCc2ccc(C(=O)[O-])cc2)c1 ZINC000320152795 145374100 /nfs/dbraw/zinc/37/41/00/145374100.db2.gz WVKIEHMZTMORAB-UHFFFAOYSA-N -2 3 315.325 2.072 20 0 DEADHL CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000035085678 401895066 /nfs/dbraw/zinc/89/50/66/401895066.db2.gz ZCKCMEFIPOXVOO-VIFPVBQESA-N -2 3 312.174 2.135 20 0 DEADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)Cc2ccccc2)c1 ZINC000037396291 401912885 /nfs/dbraw/zinc/91/28/85/401912885.db2.gz NCVXLMROQHAKAI-UHFFFAOYSA-N -2 3 309.318 2.466 20 0 DEADHL C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000135575515 401946204 /nfs/dbraw/zinc/94/62/04/401946204.db2.gz MLWNPJQGTNNJEG-JSGCOSHPSA-N -2 3 315.366 2.138 20 0 DEADHL O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2F)C1 ZINC000097062684 402104076 /nfs/dbraw/zinc/10/40/76/402104076.db2.gz PUOCHVYBBJQOCU-SFYZADRCSA-N -2 3 321.757 2.011 20 0 DEADHL C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000070311707 402259543 /nfs/dbraw/zinc/25/95/43/402259543.db2.gz ITDGJVBCDRWOGV-ZETCQYMHSA-N -2 3 309.746 2.011 20 0 DEADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@@H]2C=CCCC2)c1 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2.103 20 0 DEADHL CC[C@@H](CS(=O)(=O)[N-]c1cc(C)cc(C)c1C(=O)[O-])OC ZINC000421157736 405452454 /nfs/dbraw/zinc/45/24/54/405452454.db2.gz RDKSIHBPCHCITA-NSHDSACASA-N -2 3 315.391 2.168 20 0 DEADHL COc1ccc([O-])c([N-]S(=O)(=O)C[C@H](CC(C)C)OC)c1 ZINC000421158955 405452493 /nfs/dbraw/zinc/45/24/93/405452493.db2.gz STEZVHHWPZYIJF-LBPRGKRZSA-N -2 3 317.407 2.204 20 0 DEADHL CCc1cc(=O)[n-]c(SCc2cc(=O)[n-]c(C3CC3)n2)n1 ZINC000519527540 406204793 /nfs/dbraw/zinc/20/47/93/406204793.db2.gz FMMUJIAILDBUJS-UHFFFAOYSA-N -2 3 304.375 2.410 20 0 DEADHL COC1(CS(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])CCC1 ZINC000634787517 406285671 /nfs/dbraw/zinc/28/56/71/406285671.db2.gz CZCAEUNWBPNCLP-UHFFFAOYSA-N -2 3 313.375 2.004 20 0 DEADHL C[C@H]1CC(C)(C)CC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000645990752 406733661 /nfs/dbraw/zinc/73/36/61/406733661.db2.gz LLIFWJDXBMFSGP-ONGXEEELSA-N -2 3 315.391 2.471 20 0 DEADHL O=S(=O)(C[C@@H]1CCCCO1)[N-]c1c([O-])cccc1Cl ZINC000647919234 407074260 /nfs/dbraw/zinc/07/42/60/407074260.db2.gz SAVCXQCJCZIOKQ-VIFPVBQESA-N -2 3 305.783 2.356 20 0 DEADHL CCCC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000132366174 196249713 /nfs/dbraw/zinc/24/97/13/196249713.db2.gz CSZNTZSTBKCZQJ-SNVBAGLBSA-N -2 3 323.773 2.401 20 0 DEADHL CC[C@@H](C(=O)[O-])N(C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000650517496 425011285 /nfs/dbraw/zinc/01/12/85/425011285.db2.gz NHTYCVJNJULGSJ-JTQLQIEISA-N -2 3 315.329 2.377 20 0 DEADHL Cc1ccccc1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000650441476 424998711 /nfs/dbraw/zinc/99/87/11/424998711.db2.gz WQYQDHGJZBPAEZ-QWHCGFSZSA-N -2 3 321.354 2.121 20 0 DEADHL O=C([O-])[C@H](C(=O)Nc1cc(Br)ccc1[O-])C1CC1 ZINC000663114057 425800995 /nfs/dbraw/zinc/80/09/95/425800995.db2.gz BWCYRVHOOYGMJF-JTQLQIEISA-N -2 3 314.135 2.204 20 0 DEADHL Cc1cc(S(=O)(=O)[N-]C2CCCCCC2)oc1C(=O)[O-] ZINC000663420424 425837862 /nfs/dbraw/zinc/83/78/62/425837862.db2.gz QQNNQRQSDPAXNE-UHFFFAOYSA-N -2 3 301.364 2.287 20 0 DEADHL Cc1cc(S(=O)(=O)[N-][C@H](C)CCC2CC2)oc1C(=O)[O-] ZINC000663423391 425838397 /nfs/dbraw/zinc/83/83/97/425838397.db2.gz BLUQQZOQYGFANY-SECBINFHSA-N -2 3 301.364 2.143 20 0 DEADHL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000136254698 280226253 /nfs/dbraw/zinc/22/62/53/280226253.db2.gz YTECSCGIPWUFEQ-JTQLQIEISA-N -2 3 323.773 2.257 20 0 DEADHL Cc1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C)c(F)cc1F ZINC000275083304 301400386 /nfs/dbraw/zinc/40/03/86/301400386.db2.gz ZGIPSXZMYYBSEV-LLVKDONJSA-N -2 3 321.345 2.051 20 0 DEADHL Cc1oc(S(=O)(=O)[N-]CCC2=CCCCC2)cc1C(=O)[O-] ZINC000574515424 326161909 /nfs/dbraw/zinc/16/19/09/326161909.db2.gz OMEITNVMXJLBIU-UHFFFAOYSA-N -2 3 313.375 2.455 20 0 DEADHL Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])c3ccccc32)o1 ZINC000577067120 326340458 /nfs/dbraw/zinc/34/04/58/326340458.db2.gz WZEZUUVYCCFYSM-STQMWFEESA-N -2 3 321.354 2.180 20 0 DEADHL Cc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000577278116 326354749 /nfs/dbraw/zinc/35/47/49/326354749.db2.gz QSBRGAWGBYNYMS-QWHCGFSZSA-N -2 3 321.354 2.121 20 0 DEADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CCCc3ccccc32)c1 ZINC000584051075 331653474 /nfs/dbraw/zinc/65/34/74/331653474.db2.gz GCXJZXJOQLVJLK-CYBMUJFWSA-N -2 3 321.354 2.334 20 0 DEADHL CC(=O)c1ccc(C(=O)[N-]c2n[n-]c(-c3ccc(C)o3)n2)o1 ZINC000580279871 333054512 /nfs/dbraw/zinc/05/45/12/333054512.db2.gz SUKSXHXIEQGXIP-UHFFFAOYSA-N -2 3 300.274 2.421 20 0 DEADHL Cc1ccc(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCCC2)o1 ZINC000583869730 337362702 /nfs/dbraw/zinc/36/27/02/337362702.db2.gz FOWHTZOKKDVKBP-UHFFFAOYSA-N -2 3 301.364 2.044 20 0 DEADHL CC(C)CCC[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000037464061 337363970 /nfs/dbraw/zinc/36/39/70/337363970.db2.gz APOCZLIJQKIPDA-SNVBAGLBSA-N -2 3 303.380 2.471 20 0 DEADHL CCCCC[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000184840708 535075566 /nfs/dbraw/zinc/07/55/66/535075566.db2.gz XKFCXLOWFUJGMB-UHFFFAOYSA-N -2 3 303.355 2.301 20 0 DEADHL 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Cc1ccc(F)cc1NC(=O)NCCCCP(=O)([O-])[O-] ZINC001191429312 797199450 /nfs/dbraw/zinc/19/94/50/797199450.db2.gz NSZIUEPYKJNSES-UHFFFAOYSA-N -2 3 304.258 2.214 20 0 DEADHL O=C(Nc1ccc2[nH][n-]c(=O)c2c1)c1cc(Cl)ncc1[O-] ZINC001196396018 798050922 /nfs/dbraw/zinc/05/09/22/798050922.db2.gz NNMJJFUSUAZLTQ-UHFFFAOYSA-N -2 3 304.693 2.275 20 0 DEADHL Cc1cc2cccc(C(=O)NCCCCP(=O)([O-])[O-])c2[nH]1 ZINC001198574959 798357196 /nfs/dbraw/zinc/35/71/96/798357196.db2.gz VMTRJVSGFGLRGS-UHFFFAOYSA-N -2 3 310.290 2.164 20 0 DEADHL Cc1cc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)ccc1N ZINC001210071452 801330901 /nfs/dbraw/zinc/33/09/01/801330901.db2.gz KDAQOGJDLAOCFN-UHFFFAOYSA-N -2 3 320.370 2.005 20 0 DEADHL O=Nc1c(=O)[n-]c(=O)[nH]c1Nc1ccc(CCC(=O)[O-])cc1 ZINC001213625643 801630105 /nfs/dbraw/zinc/63/01/05/801630105.db2.gz LAZPQLIQGKTOOG-UHFFFAOYSA-N -2 3 304.262 2.047 20 0 DEADHL NC(=O)c1ccc(Nc2ccc(F)c(C(=O)[O-])c2F)cc1[O-] ZINC001215282552 801829171 /nfs/dbraw/zinc/82/91/71/801829171.db2.gz 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ZINC000670369908 540926623 /nfs/dbraw/zinc/92/66/23/540926623.db2.gz JHIHXOWLSZKGKS-WAYWQWQTSA-N -2 3 316.313 2.076 20 0 DEADHL CCOC(=O)c1ncc(NC(=O)c2ccc(CC)cc2[O-])[n-]1 ZINC000619447944 363798913 /nfs/dbraw/zinc/79/89/13/363798913.db2.gz WHQLRDOXACIFIH-UHFFFAOYSA-N -2 3 303.318 2.107 20 0 DEADHL CCOC(=O)c1nc(NC(=O)c2ccc(CC)cc2[O-])c[n-]1 ZINC000619447944 363798920 /nfs/dbraw/zinc/79/89/20/363798920.db2.gz WHQLRDOXACIFIH-UHFFFAOYSA-N -2 3 303.318 2.107 20 0 DEADHL CCc1ccc([O-])c(C(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)c1 ZINC000622739741 364788332 /nfs/dbraw/zinc/78/83/32/364788332.db2.gz YQQOSFYJJGGIPA-UHFFFAOYSA-N -2 3 315.373 2.424 20 0 DEADHL Cc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C[C@@H](C)C(=O)[O-])c1 ZINC000275288011 212249447 /nfs/dbraw/zinc/24/94/47/212249447.db2.gz SXMKSQVNSQZUIX-SNVBAGLBSA-N -2 3 317.382 2.302 20 0 DEADHL CC[C@H](C[N-]S(=O)(=O)c1ccc(C)c(F)c1F)CC(=O)[O-] ZINC000629296267 367155189 /nfs/dbraw/zinc/15/51/89/367155189.db2.gz RPLOSVITENRXJI-VIFPVBQESA-N -2 3 321.345 2.052 20 0 DEADHL CCc1cccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1[O-] ZINC000678301483 541709992 /nfs/dbraw/zinc/70/99/92/541709992.db2.gz UEQQMGWGQIZDPR-UHFFFAOYSA-N -2 3 309.329 2.387 20 0 DEADHL Cc1cccc(F)c1S(=O)(=O)[N-]C[C@H](CC(C)C)C(=O)[O-] ZINC000262432893 203292095 /nfs/dbraw/zinc/29/20/95/203292095.db2.gz FRHKKRZOXJLNKN-NSHDSACASA-N -2 3 317.382 2.159 20 0 DEADHL Cc1cc(F)c(S(=O)(=O)[N-]CCC[C@@H](C)C(=O)[O-])cc1F ZINC000274971570 212051463 /nfs/dbraw/zinc/05/14/63/212051463.db2.gz KKNURPULOGVZLF-MRVPVSSYSA-N -2 3 321.345 2.052 20 0 DEADHL Cc1ccc(S(=O)(=O)[N-][C@H](CC2CCC2)C(=O)[O-])c(F)c1 ZINC000530368028 284409052 /nfs/dbraw/zinc/40/90/52/284409052.db2.gz DEAOVRRGQIZTEV-GFCCVEGCSA-N -2 3 315.366 2.056 20 0 DEADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccncc1C ZINC000111043351 194386406 /nfs/dbraw/zinc/38/64/06/194386406.db2.gz OOOVLVGKPZLRPH-UHFFFAOYSA-N -2 3 306.343 2.197 20 0 DEADHL CSc1nc(C)c(CCC(=O)[N-]OC2CCCC2)c(=O)[n-]1 ZINC000271658583 209102513 /nfs/dbraw/zinc/10/25/13/209102513.db2.gz GHQKWGVYEWXDRW-UHFFFAOYSA-N -2 3 311.407 2.136 20 0 DEADHL CCCC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1F)C(=O)[O-] ZINC000262499348 145288361 /nfs/dbraw/zinc/28/83/61/145288361.db2.gz XSYJQVVVFDYEFQ-NSHDSACASA-N -2 3 303.355 2.056 20 0 DEADHL O=C([O-])CC[C@@H](Cc1ccccc1)[N-]C(=O)C(F)(F)C(F)F ZINC000263048106 145320654 /nfs/dbraw/zinc/32/06/54/145320654.db2.gz FFWJVXVZZRGCML-JTQLQIEISA-N -2 3 321.270 2.479 20 0 DEADHL O=C([O-])CCCCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000012620721 401789306 /nfs/dbraw/zinc/78/93/06/401789306.db2.gz JCSYAMGFSZWHAL-UHFFFAOYSA-N -2 3 323.773 2.402 20 0 DEADHL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000036967130 401909410 /nfs/dbraw/zinc/90/94/10/401909410.db2.gz OBLBMMXKWPYXMV-ZCFIWIBFSA-N -2 3 312.174 2.135 20 0 DEADHL COC(=O)c1cc(S(=O)(=O)[N-]c2ccsc2)ccc1[O-] ZINC000089750308 401960556 /nfs/dbraw/zinc/96/05/56/401960556.db2.gz BXHZGDXVKRORMT-UHFFFAOYSA-N -2 3 313.356 2.041 20 0 DEADHL C/C=C\C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000566183819 292215347 /nfs/dbraw/zinc/21/53/47/292215347.db2.gz JGMHHLPEFIBSNO-SKRYNEFJSA-N -2 3 309.796 2.099 20 0 DEADHL CC[C@](C)(C[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000211119750 402278142 /nfs/dbraw/zinc/27/81/42/402278142.db2.gz PQTIQEMMNZOXIX-SNVBAGLBSA-N -2 3 311.812 2.181 20 0 DEADHL C[C@H](CCC[N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000229516644 402343398 /nfs/dbraw/zinc/34/33/98/402343398.db2.gz YWUPQIYCGAZVAH-MRVPVSSYSA-N -2 3 323.773 2.258 20 0 DEADHL C[C@H](CCC[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000229519426 402343507 /nfs/dbraw/zinc/34/35/07/402343507.db2.gz SBGWGWDAGZHKIM-SSDOTTSWSA-N -2 3 311.812 2.181 20 0 DEADHL O=C([O-])CCCNC(=O)c1c[n-]nc1-c1ccc(Cl)s1 ZINC000263562166 402781459 /nfs/dbraw/zinc/78/14/59/402781459.db2.gz COYALNOJMKLAOR-UHFFFAOYSA-N -2 3 313.766 2.386 20 0 DEADHL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000265951565 402964921 /nfs/dbraw/zinc/96/49/21/402964921.db2.gz VNAKJCBYAMXMAH-NSHDSACASA-N -2 3 313.375 2.004 20 0 DEADHL CCCC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CCC1 ZINC000566794537 292268618 /nfs/dbraw/zinc/26/86/18/292268618.db2.gz JPCIZISZAXZFBK-UHFFFAOYSA-N -2 3 301.364 2.227 20 0 DEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2F)c(Cl)c1 ZINC000414327475 404579396 /nfs/dbraw/zinc/57/93/96/404579396.db2.gz OQZBSCFQHPWLAU-VHSXEESVSA-N -2 3 321.757 2.207 20 0 DEADHL Cc1csc(S(=O)(=O)[N-]C(C)(C)C[C@H](C)C(=O)[O-])c1 ZINC000582344756 405710020 /nfs/dbraw/zinc/71/00/20/405710020.db2.gz ALQMLKMDEBXRJG-VIFPVBQESA-N -2 3 305.421 2.224 20 0 DEADHL O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccc([O-])c(F)c1 ZINC000636319981 405887159 /nfs/dbraw/zinc/88/71/59/405887159.db2.gz ACDRHFYSEKBDEK-UHFFFAOYSA-N -2 3 317.320 2.224 20 0 DEADHL C[C@@H](CC1CCC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000634654406 406209794 /nfs/dbraw/zinc/20/97/94/406209794.db2.gz HWLXVQIHLJMAJQ-QMMMGPOBSA-N -2 3 303.405 2.303 20 0 DEADHL O=S(=O)(C[C@H]1CCCCO1)[N-]c1c([O-])cccc1Cl ZINC000647919233 407074499 /nfs/dbraw/zinc/07/44/99/407074499.db2.gz SAVCXQCJCZIOKQ-SECBINFHSA-N -2 3 305.783 2.356 20 0 DEADHL CSc1ccc([O-])c(C(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])c1 ZINC000659763849 425646166 /nfs/dbraw/zinc/64/61/66/425646166.db2.gz LBXASWIWRJFQIE-NOZJJQNGSA-N -2 3 309.387 2.439 20 0 DEADHL CSc1ccc([O-])c(C(=O)N2CCC[C@@H](C)[C@H]2C(=O)[O-])c1 ZINC000659763850 425646276 /nfs/dbraw/zinc/64/62/76/425646276.db2.gz LBXASWIWRJFQIE-RNCFNFMXSA-N -2 3 309.387 2.439 20 0 DEADHL CSc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1 ZINC000659762943 425646684 /nfs/dbraw/zinc/64/66/84/425646684.db2.gz BFPUDRAGUUNCRY-NXEZZACHSA-N -2 3 309.387 2.297 20 0 DEADHL CCc1ccc([O-])c(C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)c1 ZINC000663138933 425805224 /nfs/dbraw/zinc/80/52/24/425805224.db2.gz RLNQHZYYAUSPNU-UHFFFAOYSA-N -2 3 317.345 2.223 20 0 DEADHL Cc1cc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](C)C2)oc1C(=O)[O-] ZINC000663422213 425838080 /nfs/dbraw/zinc/83/80/80/425838080.db2.gz GRNPIFNZMWHYJZ-KOLCDFICSA-N -2 3 315.391 2.391 20 0 DEADHL Cc1cc(S(=O)(=O)[N-]CC2CCC(C)CC2)oc1C(=O)[O-] ZINC000663421793 425838102 /nfs/dbraw/zinc/83/81/02/425838102.db2.gz BCQOFYLKMBPNNY-UHFFFAOYSA-N -2 3 315.391 2.391 20 0 DEADHL CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000663422614 425838341 /nfs/dbraw/zinc/83/83/41/425838341.db2.gz MENUQSCQUYYZQL-SCZZXKLOSA-N -2 3 303.380 2.389 20 0 DEADHL Cc1oc(S(=O)(=O)[N-]CCC2CCCC2)cc1C(=O)[O-] ZINC000514724909 269329248 /nfs/dbraw/zinc/32/92/48/269329248.db2.gz ICXHKAOMGNBZKD-UHFFFAOYSA-N -2 3 301.364 2.145 20 0 DEADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@H](C)[C@H](C(=O)[O-])C(C)C ZINC000515235186 269348119 /nfs/dbraw/zinc/34/81/19/269348119.db2.gz URPDHQPEUAHVMO-ZYHUDNBSSA-N -2 3 317.382 2.158 20 0 DEADHL CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000517233995 269380176 /nfs/dbraw/zinc/38/01/76/269380176.db2.gz NEIDNSIATMWYOE-GFCCVEGCSA-N -2 3 323.370 2.277 20 0 DEADHL COc1cccc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1[O-] ZINC000262769542 295287727 /nfs/dbraw/zinc/28/77/27/295287727.db2.gz GYZUSVFLCWWMMO-WXHSDQCUSA-N -2 3 319.357 2.259 20 0 DEADHL Cc1nc(=NC(=O)c2cc([O-])ccc2C(F)(F)F)s[n-]1 ZINC000338802130 302546364 /nfs/dbraw/zinc/54/63/64/302546364.db2.gz WMFZZOZDZCYFBH-UHFFFAOYSA-N -2 3 303.265 2.245 20 0 DEADHL CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000567796827 325862140 /nfs/dbraw/zinc/86/21/40/325862140.db2.gz HZJBUMIVGRPLLP-IUCAKERBSA-N -2 3 303.380 2.389 20 0 DEADHL Cc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000583810647 337336226 /nfs/dbraw/zinc/33/62/26/337336226.db2.gz ZVBNPMJTZHNOMK-NWDGAFQWSA-N -2 3 321.354 2.121 20 0 DEADHL CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000037041410 337363006 /nfs/dbraw/zinc/36/30/06/337363006.db2.gz YPCQOWRSYWMWPC-UWVGGRQHSA-N -2 3 301.364 2.225 20 0 DEADHL O=C(NCc1ccc([O-])c(Br)c1)c1cncc([O-])c1 ZINC000178021932 341941597 /nfs/dbraw/zinc/94/15/97/341941597.db2.gz AWPHZGBBLODFHB-UHFFFAOYSA-N -2 3 323.146 2.185 20 0 DEADHL Cc1cccc(C[C@@H](CNC(=O)c2ccccc2[O-])C(=O)[O-])c1 ZINC000738711120 600103232 /nfs/dbraw/zinc/10/32/32/600103232.db2.gz IAACUMSSFXLFCU-AWEZNQCLSA-N -2 3 313.353 2.374 20 0 DEADHL C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000071207680 601234219 /nfs/dbraw/zinc/23/42/19/601234219.db2.gz KGLBTONJQFOKPD-APPZFPTMSA-N -2 3 319.329 2.130 20 0 DEADHL Cc1ccc(-c2nc(NC(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)n[n-]2)o1 ZINC000832907576 602144459 /nfs/dbraw/zinc/14/44/59/602144459.db2.gz CDEYLBBKZWSSTJ-ZJUUUORDSA-N -2 3 318.333 2.203 20 0 DEADHL CCc1cc(=O)[n-]c(CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])n1 ZINC000830224179 602238168 /nfs/dbraw/zinc/23/81/68/602238168.db2.gz HWIZZFBCQVFWGE-BZNIZROVSA-N -2 3 315.373 2.296 20 0 DEADHL Cc1cc(=O)[n-]c(CN2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])n1 ZINC000832899916 602315516 /nfs/dbraw/zinc/31/55/16/602315516.db2.gz UNSATUDAGKNHNL-KGLIPLIRSA-N -2 3 319.405 2.346 20 0 DEADHL CC(C)Cc1nnc([N-]C(=O)c2ccc(CNC(=O)[O-])o2)s1 ZINC000824310856 603384502 /nfs/dbraw/zinc/38/45/02/603384502.db2.gz GOYRZPFXYGBKQI-UHFFFAOYSA-N -2 3 324.362 2.350 20 0 DEADHL CCc1cccc(C(=O)N2CC[C@@H](CN(C)C(=O)[O-])C2)c1[O-] ZINC000827595554 603542004 /nfs/dbraw/zinc/54/20/04/603542004.db2.gz NKKOSKTUJYWVLW-NSHDSACASA-N -2 3 306.362 2.027 20 0 DEADHL CC(C)c1ccc(C(=O)N2CCN(C(=O)[O-])[C@@H](C)C2)c([O-])c1 ZINC000824463587 603875260 /nfs/dbraw/zinc/87/52/60/603875260.db2.gz KPJXAKIRQDCSLP-NSHDSACASA-N -2 3 306.362 2.340 20 0 DEADHL C[C@H](CC(=O)Nc1ncccc1[O-])[C@H]1CCCN(C(=O)[O-])C1 ZINC000824711482 604578190 /nfs/dbraw/zinc/57/81/90/604578190.db2.gz XMEGFRLKIOUPDK-MNOVXSKESA-N -2 3 307.350 2.142 20 0 DEADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)C2)cc1C(=O)[O-] ZINC000833028720 604662861 /nfs/dbraw/zinc/66/28/61/604662861.db2.gz PAVOHYTUFLVENR-MRVPVSSYSA-N -2 3 323.317 2.142 20 0 DEADHL O=C([O-])N[C@@H](Cc1ccccc1)C(=O)Nc1cccc([O-])c1F ZINC000834151822 605716333 /nfs/dbraw/zinc/71/63/33/605716333.db2.gz YCRNSPRSNSSMDB-LBPRGKRZSA-N -2 3 318.304 2.349 20 0 DEADHL CN(C(=O)[O-])c1ccc(NC(=O)c2cccc3n[n-]nc32)cc1 ZINC000833685378 605762663 /nfs/dbraw/zinc/76/26/63/605762663.db2.gz LYKAMUAELFSRJW-UHFFFAOYSA-N -2 3 311.301 2.324 20 0 DEADHL C[C@]1(NC(=O)[O-])CCCC[C@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000833832865 606075654 /nfs/dbraw/zinc/07/56/54/606075654.db2.gz XYPUQMDTNVKKNQ-ZBEGNZNMSA-N -2 3 324.352 2.364 20 0 DEADHL CCC[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccc(OC)cc1[O-] ZINC000318746903 635711890 /nfs/dbraw/zinc/71/18/90/635711890.db2.gz YLJKXFWMPUSOIB-INIZCTEOSA-N -2 3 307.346 2.260 20 0 DEADHL O=C([O-])[C@@H](CC1CC1)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000909471012 637661923 /nfs/dbraw/zinc/66/19/23/637661923.db2.gz BQHZYYAEHIVREK-LLVKDONJSA-N -2 3 317.263 2.394 20 0 DEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cnn(C3CCC3)c2)c1 ZINC000901980661 642867731 /nfs/dbraw/zinc/86/77/31/642867731.db2.gz UCQHOEGBOMUJSO-UHFFFAOYSA-N -2 3 323.374 2.123 20 0 DEADHL CCc1cc(=O)[n-]c(CN[C@H](C(=O)[O-])c2ccc(C)c(C)c2)n1 ZINC000905378806 643893056 /nfs/dbraw/zinc/89/30/56/643893056.db2.gz GYDPRWNXGFSEDZ-INIZCTEOSA-N -2 3 315.373 2.277 20 0 DEADHL C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000909798857 645196401 /nfs/dbraw/zinc/19/64/01/645196401.db2.gz KDCVLBLSZMBFSR-WRWORJQWSA-N -2 3 317.263 2.346 20 0 DEADHL O=C([O-])C1CC(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000910340684 645415314 /nfs/dbraw/zinc/41/53/14/645415314.db2.gz XSKWIVTVACVEAQ-UHFFFAOYSA-N -2 3 303.236 2.004 20 0 DEADHL CC(C)C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000910463815 645462016 /nfs/dbraw/zinc/46/20/16/645462016.db2.gz QPWLYEOJNKQJGG-ZDUSSCGKSA-N -2 3 311.353 2.470 20 0 DEADHL O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)c3cc([O-])c4ccccc4c3)C[C@@H]21 ZINC000910849855 645568806 /nfs/dbraw/zinc/56/88/06/645568806.db2.gz CFASNFXLCCHBSN-IJEWVQPXSA-N -2 3 311.337 2.338 20 0 DEADHL CCCCC[C@@H]([N-]S(=O)(=O)c1cnc(CC)s1)C(=O)[O-] ZINC000829928338 649374796 /nfs/dbraw/zinc/37/47/96/649374796.db2.gz CEWOKRJBYIZMMZ-SECBINFHSA-N -2 3 320.436 2.017 20 0 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/nfs/dbraw/zinc/92/62/25/601926225.db2.gz NXWAHYCSJZIYIM-UHFFFAOYSA-N -2 3 301.298 2.029 20 0 DEADHL C[C@H](CC(=O)[O-])C(=O)Nc1ccc(Br)cc1[O-] ZINC000827310405 602094936 /nfs/dbraw/zinc/09/49/36/602094936.db2.gz ISHJPKSTYPFPLM-ZCFIWIBFSA-N -2 3 302.124 2.204 20 0 DEADHL CCc1cc(=O)[n-]c(CN(C)[C@@H](C(=O)[O-])c2ccccc2)n1 ZINC000830224720 602236897 /nfs/dbraw/zinc/23/68/97/602236897.db2.gz UAYOBDGQDUKDOC-OAHLLOKOSA-N -2 3 301.346 2.002 20 0 DEADHL C[C@H]1CCC[C@H](C)C1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833611740 605203560 /nfs/dbraw/zinc/20/35/60/605203560.db2.gz QAGUMJMFTBZCII-IUCAKERBSA-N -2 3 301.364 2.081 20 0 DEADHL C[C@@H]1CCC[C@@H](CC[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000833608533 605203974 /nfs/dbraw/zinc/20/39/74/605203974.db2.gz BJEYMJSTAOVMPF-MNOVXSKESA-N -2 3 315.391 2.473 20 0 DEADHL Cc1ccc(C(=O)N(C)C2CCC(NC(=O)[O-])CC2)c([O-])c1 ZINC000833902462 605654062 /nfs/dbraw/zinc/65/40/62/605654062.db2.gz ISKUYTIDFVTZCT-UHFFFAOYSA-N -2 3 306.362 2.351 20 0 DEADHL O=C([O-])N1CCC2(C[C@H]2C(=O)Nc2cccc([O-])c2F)CC1 ZINC000834053346 605970759 /nfs/dbraw/zinc/97/07/59/605970759.db2.gz LPARCZJRKZLRMG-VIFPVBQESA-N -2 3 308.309 2.250 20 0 DEADHL O=C([O-])c1cccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2F)c1F ZINC000907015716 644419877 /nfs/dbraw/zinc/41/98/77/644419877.db2.gz CXDORFKVDLNKFJ-NXEZZACHSA-N -2 3 319.329 2.083 20 0 DEADHL O=S(=O)(C[C@@H]1CCCOC1)[N-]c1ccc(Cl)cc1[O-] ZINC000795344527 644556729 /nfs/dbraw/zinc/55/67/29/644556729.db2.gz CEGVAUVLKHDHJF-SECBINFHSA-N -2 3 305.783 2.214 20 0 DEADHL O=C([O-])C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)C1CC1 ZINC000909073587 645077792 /nfs/dbraw/zinc/07/77/92/645077792.db2.gz YWJCHVVUZPDRJH-ZDUSSCGKSA-N -2 3 309.337 2.224 20 0 DEADHL CCCCC[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909047150 645078988 /nfs/dbraw/zinc/07/89/88/645078988.db2.gz FNOKMRKWOYLDME-GFCCVEGCSA-N -2 3 312.341 2.364 20 0 DEADHL O=C([O-])[C@@H](CNC(=O)CCCc1ccc([O-])c(F)c1)CC1CC1 ZINC000909882782 645236778 /nfs/dbraw/zinc/23/67/78/645236778.db2.gz MHGBOFQPUIOLIJ-CYBMUJFWSA-N -2 3 323.364 2.471 20 0 DEADHL O=C([O-])[C@H](CNC(=O)Cc1ccc([O-])c(F)c1)C1CCCCC1 ZINC000910233803 645359124 /nfs/dbraw/zinc/35/91/24/645359124.db2.gz LZEGNDMBXZGGOA-CYBMUJFWSA-N -2 3 323.364 2.471 20 0 DEADHL CCCO[N-]C(=O)C[C@H](C(=O)[N-]OCCC)c1ccc(C)cc1 ZINC000823608827 648453875 /nfs/dbraw/zinc/45/38/75/648453875.db2.gz PFJMIONELBRULW-HNNXBMFYSA-N -2 3 322.405 2.384 20 0 DEADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc([O-])cc1F ZINC000184614704 649316980 /nfs/dbraw/zinc/31/69/80/649316980.db2.gz DGOYLYLPXCVCEU-UHFFFAOYSA-N -2 3 319.745 2.027 20 0 DEADHL O=C([O-])CCCCCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000037326199 683881815 /nfs/dbraw/zinc/88/18/15/683881815.db2.gz HBPKYQSHJRCCJO-UHFFFAOYSA-N -2 3 321.345 2.278 20 0 DEADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CCCCc1ccccc1 ZINC000871993934 688909348 /nfs/dbraw/zinc/90/93/48/688909348.db2.gz UZVKWSKBXNLBSH-UHFFFAOYSA-N -2 3 323.370 2.279 20 0 DEADHL CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871993608 688909409 /nfs/dbraw/zinc/90/94/09/688909409.db2.gz PPXBNHDGFMQGDF-LBPRGKRZSA-N -2 3 323.370 2.277 20 0 DEADHL CC[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2occc2C(=O)[O-])C1 ZINC000871993642 688909586 /nfs/dbraw/zinc/90/95/86/688909586.db2.gz MLDJHKKSFSPTKH-NXEZZACHSA-N -2 3 301.364 2.225 20 0 DEADHL COc1nc(NC(=O)c2cc(Cl)cc(Cl)c2[O-])n[n-]1 ZINC001362299857 1152872379 /nfs/dbraw/zinc/87/23/79/1152872379.db2.gz MRCNTXRSMWYHFO-UHFFFAOYSA-N -2 3 303.105 2.078 20 0 DEADHL COc1nnc(NC(=O)c2cc(Cl)cc(Cl)c2[O-])[n-]1 ZINC001362299857 1152872381 /nfs/dbraw/zinc/87/23/81/1152872381.db2.gz MRCNTXRSMWYHFO-UHFFFAOYSA-N -2 3 303.105 2.078 20 0 DEADHL COc1n[n-]c(NC(=O)c2cc(Cl)cc(Cl)c2[O-])n1 ZINC001362299857 1152872382 /nfs/dbraw/zinc/87/23/82/1152872382.db2.gz MRCNTXRSMWYHFO-UHFFFAOYSA-N -2 3 303.105 2.078 20 0 DEADHL C[C@@H]1CC[C@@H](Oc2[n-]c(=O)nc3nc(Br)[n-]c32)C1 ZINC001227594358 779739311 /nfs/dbraw/zinc/73/93/11/779739311.db2.gz MPXRNXLDJNQJOS-PHDIDXHHSA-N -2 3 313.155 2.388 20 0 DEADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cc1N ZINC001175218438 794161585 /nfs/dbraw/zinc/16/15/85/794161585.db2.gz CNWZSLREQVDFIZ-UHFFFAOYSA-N -2 3 324.333 2.215 20 0 DEADHL O=C([O-])C1(c2ccc(Nc3cc(=O)[n-]c(=S)[nH]3)cc2)CC1 ZINC001176582489 794450450 /nfs/dbraw/zinc/45/04/50/794450450.db2.gz ZKDLZAHOSUXRDL-UHFFFAOYSA-N -2 3 303.343 2.331 20 0 DEADHL Cc1ccsc1/C=C/C(=O)NCCCCP(=O)([O-])[O-] ZINC001177074695 794575751 /nfs/dbraw/zinc/57/57/51/794575751.db2.gz DFBOILUDGRKXNV-SNAWJCMRSA-N -2 3 303.320 2.144 20 0 DEADHL C[C@@H](NC(=O)NCCCCP(=O)([O-])[O-])c1ccccc1 ZINC001185042068 796176293 /nfs/dbraw/zinc/17/62/93/796176293.db2.gz KJSHXQVUFGNCSQ-LLVKDONJSA-N -2 3 300.295 2.005 20 0 DEADHL O=C(NCCP(=O)([O-])[O-])Nc1cccc(Cl)c1Cl ZINC001189237788 796789491 /nfs/dbraw/zinc/78/94/91/796789491.db2.gz OPOWXHMGXFGVQI-UHFFFAOYSA-N -2 3 313.077 2.293 20 0 DEADHL O=C(Nc1ccc(F)c([O-])c1)c1ccccc1S(=O)(=O)[O-] ZINC001189694249 796870281 /nfs/dbraw/zinc/87/02/81/796870281.db2.gz KZDURUAYMLMCCD-UHFFFAOYSA-N -2 3 311.290 2.030 20 0 DEADHL CCc1cccc(CC)c1NC(=O)NCCP(=O)([O-])[O-] ZINC001189777771 796882190 /nfs/dbraw/zinc/88/21/90/796882190.db2.gz GWEWCMRHECEBEJ-UHFFFAOYSA-N -2 3 300.295 2.111 20 0 DEADHL COc1cc([N-]C(=O)c2c([O-])c(F)c(F)c(F)c2F)no1 ZINC001195277751 797865086 /nfs/dbraw/zinc/86/50/86/797865086.db2.gz HJHRUXYNRGNPNM-UHFFFAOYSA-N -2 3 306.171 2.198 20 0 DEADHL COc1cccc(CS(=O)(=O)[N-]c2ccc(F)cc2[O-])c1 ZINC001197377201 798184366 /nfs/dbraw/zinc/18/43/66/798184366.db2.gz UITDIAWLEVJZCJ-UHFFFAOYSA-N -2 3 311.334 2.482 20 0 DEADHL Cc1ccccc1NC(=S)NCCCCP(=O)([O-])[O-] ZINC001198445935 798341695 /nfs/dbraw/zinc/34/16/95/798341695.db2.gz VJPCBBHSMKUULK-UHFFFAOYSA-N -2 3 302.336 2.239 20 0 DEADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC001198729954 798383505 /nfs/dbraw/zinc/38/35/05/798383505.db2.gz BNIUFNLQOREUNB-UHFFFAOYSA-N -2 3 313.281 2.464 20 0 DEADHL O=C(NCCP(=O)([O-])[O-])Nc1ccc(Cl)c(Cl)c1 ZINC001202265589 798847919 /nfs/dbraw/zinc/84/79/19/798847919.db2.gz WDDPZFXQOBIILO-UHFFFAOYSA-N -2 3 313.077 2.293 20 0 DEADHL O=C([O-])c1ccc(Nc2ncc(Br)cc2[O-])cn1 ZINC001210170739 801346610 /nfs/dbraw/zinc/34/66/10/801346610.db2.gz ZUCVFZMMVFXEGU-UHFFFAOYSA-N -2 3 310.107 2.387 20 0 DEADHL CCOC(=O)c1nonc1[N-]c1cc(C(=O)[O-])ccc1OCC ZINC001214268414 801696506 /nfs/dbraw/zinc/69/65/06/801696506.db2.gz HSBPVXQBTOIOCG-UHFFFAOYSA-N -2 3 321.289 2.087 20 0 DEADHL CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000400463880 801786514 /nfs/dbraw/zinc/78/65/14/801786514.db2.gz PPWUKKGCDPZTNE-GZMMTYOYSA-N -2 3 321.345 2.133 20 0 DEADHL O=c1nc2cn[n-]c2c(O[C@@H]2CCc3cc(Cl)ccc32)[n-]1 ZINC001233939446 802247163 /nfs/dbraw/zinc/24/71/63/802247163.db2.gz JXGXBRKMLLIJTO-LLVKDONJSA-N -2 3 302.721 2.366 20 0 DEADHL C[C@@H](OCCP(=O)([O-])[O-])c1ncc(C(F)(F)F)cc1F ZINC001224601564 802884951 /nfs/dbraw/zinc/88/49/51/802884951.db2.gz IGTARHDMIDHJGO-ZCFIWIBFSA-N -2 3 317.175 2.495 20 0 DEADHL COC(=O)C[C@@H]1CCC[C@H](OCCCCP(=O)([O-])[O-])C1 ZINC001225018988 802927871 /nfs/dbraw/zinc/92/78/71/802927871.db2.gz NSPOGOQUKUANDW-NEPJUHHUSA-N -2 3 308.311 2.083 20 0 DEADHL O=C([O-])[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1c1ccccc1 ZINC001602185833 971170262 /nfs/dbraw/zinc/17/02/62/971170262.db2.gz FQQTZXWTGSKWSH-LSDHHAIUSA-N -2 3 311.337 2.333 20 0 DEADHL CC1(C)CCC[C@H]1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000386820688 972082599 /nfs/dbraw/zinc/08/25/99/972082599.db2.gz RTSUDBXFZIECMF-VIFPVBQESA-N -2 3 301.364 2.082 20 0 DEADHL CCOc1cc(C(=O)[N-]c2ccc(F)c(C(=O)[O-])c2F)on1 ZINC001571113412 961373876 /nfs/dbraw/zinc/37/38/76/961373876.db2.gz YBDGCRCUAMIGGW-UHFFFAOYSA-N -2 3 312.228 2.302 20 0 DEADHL CCCCOc1ccc(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001595774185 982528698 /nfs/dbraw/zinc/52/86/98/982528698.db2.gz KRMQVNFLGCMIQE-BXUZGUMPSA-N -2 3 321.373 2.364 20 0 DEADHL CC(=O)Nc1ccc([O-])c(C(=O)NCCCCCCC(=O)[O-])c1 ZINC001589199385 985631813 /nfs/dbraw/zinc/63/18/13/985631813.db2.gz HURQIAMVKQWZCM-UHFFFAOYSA-N -2 3 322.361 2.116 20 0 DEADHL CCc1cc(=O)[n-]c(CSCc2cncc(C(=O)[O-])c2)n1 ZINC001597487541 987992709 /nfs/dbraw/zinc/99/27/09/987992709.db2.gz NJDNCLOFGHJKCR-UHFFFAOYSA-N -2 3 305.359 2.271 20 0 DEADHL CCc1ccc(C(=O)NC2(C(=O)[O-])CCSCC2)c([O-])c1 ZINC001597500234 988054422 /nfs/dbraw/zinc/05/44/22/988054422.db2.gz HEWACRZUWWBGFF-UHFFFAOYSA-N -2 3 309.387 2.035 20 0 DEADHL COc1ccc(CCC(=O)[N-]OCCCC(=O)[O-])cc1Cl ZINC001599552356 998030018 /nfs/dbraw/zinc/03/00/18/998030018.db2.gz CKBMUSBSFVFKDE-UHFFFAOYSA-N -2 3 315.753 2.194 20 0 DEADHL COC[C@](C)([N-]C(=O)C(F)(F)c1ccc(Cl)cc1)C(=O)[O-] ZINC001599151316 998302680 /nfs/dbraw/zinc/30/26/80/998302680.db2.gz KJQLBVGIKOFMGQ-LBPRGKRZSA-N -2 3 321.707 2.038 20 0 DEADHL COC(C)(C)CS(=O)(=O)[N-]c1c(C)sc(C)c1C(=O)[O-] ZINC001599033568 999068085 /nfs/dbraw/zinc/06/80/85/999068085.db2.gz BYXBJTFODUDLTP-UHFFFAOYSA-N -2 3 321.420 2.230 20 0 DEADHL CC(C)C[C@@H](CNc1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001603264531 1069927595 /nfs/dbraw/zinc/92/75/95/1069927595.db2.gz IZASVWMDWMBVGJ-VIFPVBQESA-N -2 3 307.329 2.165 20 0 DEADHL CC(C)C[C@@H](CNc1ccc(F)cc1-c1nn[n-]n1)C(=O)[O-] ZINC001603264531 1069927600 /nfs/dbraw/zinc/92/76/00/1069927600.db2.gz IZASVWMDWMBVGJ-VIFPVBQESA-N -2 3 307.329 2.165 20 0 DEADHL C[C@@H]1C[C@H](C(=O)[O-])CN(c2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC001603846782 1070119388 /nfs/dbraw/zinc/11/93/88/1070119388.db2.gz YCZITEZKCVHACH-BDAKNGLRSA-N -2 3 321.768 2.067 20 0 DEADHL C[C@@H]1C[C@H](C(=O)[O-])CN(c2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC001603846782 1070119394 /nfs/dbraw/zinc/11/93/94/1070119394.db2.gz YCZITEZKCVHACH-BDAKNGLRSA-N -2 3 321.768 2.067 20 0 DEADHL CCCC[C@@](C)(F)C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001604160356 1070251848 /nfs/dbraw/zinc/25/18/48/1070251848.db2.gz ZOJQSPSNRUVXLO-CQSZACIVSA-N -2 3 307.329 2.195 20 0 DEADHL CCCC[C@@](C)(F)C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001604160356 1070251866 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CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(C)cs1 ZINC000584289975 332218941 /nfs/dbraw/zinc/21/89/41/332218941.db2.gz UJAHYKZNLQTFKT-UHFFFAOYSA-N -2 3 305.421 2.368 20 0 DEADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C1CCC1 ZINC000399194779 337314258 /nfs/dbraw/zinc/31/42/58/337314258.db2.gz IQKXONIFYXLSFL-NSHDSACASA-N -2 3 321.757 2.011 20 0 DEADHL COc1ccc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])cc1 ZINC000315238732 597313342 /nfs/dbraw/zinc/31/33/42/597313342.db2.gz SUPWAELSVUAOEU-UHFFFAOYSA-N -2 3 321.354 2.123 20 0 DEADHL O=C([O-])Cc1nc([N-]C(=O)c2cc(Cl)sc2Cl)n[nH]1 ZINC000739911094 600579338 /nfs/dbraw/zinc/57/93/38/600579338.db2.gz VETISHBCCJZXQM-UHFFFAOYSA-N -2 3 321.145 2.052 20 0 DEADHL COc1ccc(C(=O)N(C)[C@H](C(=O)[O-])c2ccccc2)c([O-])c1 ZINC000737920004 600602663 /nfs/dbraw/zinc/60/26/63/600602663.db2.gz KAQXGLTVBQDZAL-HNNXBMFYSA-N -2 3 315.325 2.299 20 0 DEADHL CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000829119524 601810341 /nfs/dbraw/zinc/81/03/41/601810341.db2.gz 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Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)CC1(F)CCC1 ZINC000905990685 644109383 /nfs/dbraw/zinc/10/93/83/644109383.db2.gz NSTYHPCRMVYMAN-UHFFFAOYSA-N -2 3 301.339 2.327 20 0 DEADHL Cc1nc(C=Cc2nc(Cl)cs2)[n-]c(=O)c1CC(=O)[O-] ZINC000794712032 644464113 /nfs/dbraw/zinc/46/41/13/644464113.db2.gz HVGRCQLDYXYOGM-IHWYPQMZSA-N -2 3 311.750 2.398 20 0 DEADHL Cc1nc(C=Cc2nc(Cl)cs2)[n-]c(=O)c1CC(=O)[O-] ZINC000794712034 644464486 /nfs/dbraw/zinc/46/44/86/644464486.db2.gz HVGRCQLDYXYOGM-NSCUHMNNSA-N -2 3 311.750 2.398 20 0 DEADHL O=C([O-])[C@H]1CCCCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000908662245 644950187 /nfs/dbraw/zinc/95/01/87/644950187.db2.gz KTJGZKXAGHAIHT-LLVKDONJSA-N -2 3 317.263 2.490 20 0 DEADHL Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cccc(F)c2[O-])n1 ZINC000823775787 648482321 /nfs/dbraw/zinc/48/23/21/648482321.db2.gz AIRCNZSLQXHROF-UHFFFAOYSA-N -2 3 305.309 2.000 20 0 DEADHL Cc1ccc([C@@H](C)C[N-]S(=O)(=O)c2occc2C(=O)[O-])cc1 ZINC000871994522 688909286 /nfs/dbraw/zinc/90/92/86/688909286.db2.gz 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/nfs/dbraw/zinc/80/80/00/796808000.db2.gz XOIYIMUVCCPCEV-UHFFFAOYSA-N -2 3 316.294 2.165 20 0 DEADHL CC(C)(C)c1ccc(C(=O)N=c2[n-]cnn3cccc23)c([O-])c1 ZINC001192314729 797359953 /nfs/dbraw/zinc/35/99/53/797359953.db2.gz RXGGZGPCKZUZCU-UHFFFAOYSA-N -2 3 310.357 2.407 20 0 DEADHL C[C@@H](NC(=O)c1cc2ccccc2cc1[O-])c1nn(C)cc1[O-] ZINC001158297362 798379026 /nfs/dbraw/zinc/37/90/26/798379026.db2.gz YRMDWELQYMXMEY-SNVBAGLBSA-N -2 3 311.341 2.476 20 0 DEADHL O=c1nc2cn[n-]c2c(O[C@@H](c2ccccc2)C(F)(F)F)[n-]1 ZINC001233934611 802245716 /nfs/dbraw/zinc/24/57/16/802245716.db2.gz MFFAWNDDVAWPFN-JTQLQIEISA-N -2 3 310.235 2.329 20 0 DEADHL O=P([O-])([O-])CCO[C@@H]1Cc2cccc(Br)c2C1 ZINC001224601001 802884608 /nfs/dbraw/zinc/88/46/08/802884608.db2.gz CUKCKLABUMEFIE-SECBINFHSA-N -2 3 321.107 2.111 20 0 DEADHL C[C@@H](OCCP(=O)([O-])[O-])c1cccc(Br)n1 ZINC001224606115 802885618 /nfs/dbraw/zinc/88/56/18/802885618.db2.gz MFUNLIOGHJYUPE-SSDOTTSWSA-N -2 3 310.084 2.099 20 0 DEADHL 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CC(=O)c1ccc(C(=O)Nc2cccc(CC(=O)[O-])c2)cc1[O-] ZINC001573397408 963131110 /nfs/dbraw/zinc/13/11/10/963131110.db2.gz MAIGCRBISLIFRJ-UHFFFAOYSA-N -2 3 313.309 2.474 20 0 DEADHL O=C([O-])CCc1cccc(NC([O-])=NO[C@@H]2CCCCO2)c1 ZINC001606215465 973463435 /nfs/dbraw/zinc/46/34/35/973463435.db2.gz BYQWPNWQNJQWNW-CQSZACIVSA-N -2 3 308.334 2.284 20 0 DEADHL O=C([O-])CCc1cccc(NC(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC001606215465 973463437 /nfs/dbraw/zinc/46/34/37/973463437.db2.gz BYQWPNWQNJQWNW-CQSZACIVSA-N -2 3 308.334 2.284 20 0 DEADHL C[C@H](/C=C\C(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001592211143 977259141 /nfs/dbraw/zinc/25/91/41/977259141.db2.gz JCGOJNSUABDTAL-BIPIGHIPSA-N -2 3 324.185 2.301 20 0 DEADHL C[C@@](CCF)([N-]C(=O)C(F)(F)c1ccc(F)cc1)C(=O)[O-] ZINC001592492709 978288410 /nfs/dbraw/zinc/28/84/10/978288410.db2.gz XWMKYQHTJFGBPF-LBPRGKRZSA-N -2 3 307.243 2.237 20 0 DEADHL CC[C@@H](CS(=O)(=O)[N-]c1cc(Cl)cc(C(=O)[O-])c1)OC ZINC001595202090 979951879 /nfs/dbraw/zinc/95/18/79/979951879.db2.gz CBBAORZUCBNUQN-NSHDSACASA-N -2 3 321.782 2.205 20 0 DEADHL CCOC(=O)c1ccc(NC(=O)c2cc(C(=O)[O-])co2)c([O-])c1 ZINC001596724663 984978938 /nfs/dbraw/zinc/97/89/38/984978938.db2.gz UMHZRBKYZATXAG-UHFFFAOYSA-N -2 3 319.269 2.112 20 0 DEADHL CCOc1c(Cl)cccc1CC(=O)[N-]OCCCC(=O)[O-] ZINC001596992705 986278585 /nfs/dbraw/zinc/27/85/85/986278585.db2.gz MBENVPHQJMWPHM-UHFFFAOYSA-N -2 3 315.753 2.194 20 0 DEADHL CC(C)=CCC[C@@H](C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001590921931 990915496 /nfs/dbraw/zinc/91/54/96/990915496.db2.gz NKALLLHHVPWVQN-SECBINFHSA-N -2 3 318.420 2.255 20 0 DEADHL COc1ccc(C(=O)N[C@H](C)c2ncc(C(=O)[O-])s2)c([O-])c1 ZINC001599482697 996796080 /nfs/dbraw/zinc/79/60/80/996796080.db2.gz CSSCVWMLFYZUGI-SSDOTTSWSA-N -2 3 322.342 2.047 20 0 DEADHL COc1ccc(C(F)(F)C(=O)[N-][C@@H](CC(F)F)C(=O)[O-])cc1 ZINC001599516356 997393422 /nfs/dbraw/zinc/39/34/22/997393422.db2.gz LUHLJQLOFAKHPD-VIFPVBQESA-N -2 3 323.242 2.012 20 0 DEADHL O=C([O-])c1cnoc1COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC001602619137 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O=C(Nc1ccc2cc[nH]c2c1)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001606929396 1071245314 /nfs/dbraw/zinc/24/53/14/1071245314.db2.gz VBCZNAZXHHIZSQ-UHFFFAOYSA-N -2 3 320.312 2.306 20 0 DEADHL COCc1cc(NC(=O)[N-]O[C@H]2CCCCO2)cc(C(=O)[O-])c1 ZINC001606948391 1071249803 /nfs/dbraw/zinc/24/98/03/1071249803.db2.gz JLGDSVQWPWKGBK-ZDUSSCGKSA-N -2 3 324.333 2.111 20 0 DEADHL CCc1ccc(C(=O)N[C@@H](c2nc(=O)o[n-]2)C(C)(C)C)c([O-])c1 ZINC001469340925 1059940914 /nfs/dbraw/zinc/94/09/14/1059940914.db2.gz CUQSXAPULYJAFL-LBPRGKRZSA-N -2 3 319.361 2.148 20 0 DEADHL C[C@@H]1CCN(c2cc(Cl)ccc2-c2nnn[n-]2)C[C@@H]1C(=O)[O-] ZINC001590277239 1076605725 /nfs/dbraw/zinc/60/57/25/1076605725.db2.gz UYYDNGPYFXXACR-KCJUWKMLSA-N -2 3 321.768 2.067 20 0 DEADHL C[C@@H]1CCN(c2cc(Cl)ccc2-c2nn[n-]n2)C[C@@H]1C(=O)[O-] ZINC001590277239 1076605727 /nfs/dbraw/zinc/60/57/27/1076605727.db2.gz UYYDNGPYFXXACR-KCJUWKMLSA-N -2 3 321.768 2.067 20 0 DEADHL CC[C@](C)(CC(=O)[O-])C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC001590379859 1076617574 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O=C([O-])c1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)s1 ZINC001609044212 1077747265 /nfs/dbraw/zinc/74/72/65/1077747265.db2.gz MOVDYRZGCMUICD-JXMROGBWSA-N -2 3 314.322 2.169 20 0 DEADHL O=C([O-])C[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001609572063 1077877076 /nfs/dbraw/zinc/87/70/76/1077877076.db2.gz KOJOMZCXDCXFTI-SECBINFHSA-N -2 3 321.768 2.211 20 0 DEADHL O=C([O-])C[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001609572063 1077877077 /nfs/dbraw/zinc/87/70/77/1077877077.db2.gz KOJOMZCXDCXFTI-SECBINFHSA-N -2 3 321.768 2.211 20 0 DEADHL CC[C@H]([N-]S(=O)(=O)c1csc(C(=O)[O-])c1)C(F)(F)F ZINC001610056513 1077972770 /nfs/dbraw/zinc/97/27/70/1077972770.db2.gz WDBPAAGCYGZPAB-ZETCQYMHSA-N -2 3 317.310 2.066 20 0 DEADHL COc1cccc(C(=O)Nc2c(C)ccc(C(=O)[O-])c2O)c1[O-] ZINC001610353594 1078007274 /nfs/dbraw/zinc/00/72/74/1078007274.db2.gz GOBSPJLNSUJBLA-UHFFFAOYSA-N -2 3 317.297 2.365 20 0 DEADHL Cc1c(NC(=O)[N-]O[C@@H]2CCCCO2)ccc(F)c1C(=O)[O-] ZINC001610423224 1078018044 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CCOC(=O)c1ncc(NC(=O)c2cc([O-])ccc2Cl)[n-]1 ZINC000589493718 357474845 /nfs/dbraw/zinc/47/48/45/357474845.db2.gz UGFWTRBLSWOCDC-UHFFFAOYSA-N -2 3 309.709 2.198 20 0 DEADHL O=C([O-])c1cnc(C=Cc2ccn(-c3ccccc3)n2)[n-]c1=O ZINC000670370279 540927085 /nfs/dbraw/zinc/92/70/85/540927085.db2.gz YDOYNPJJWKEZFD-VOTSOKGWSA-N -2 3 308.297 2.237 20 0 DEADHL COc1cc(/C=C/c2cc(C(=O)[O-])ncn2)cc(OC)c1[O-] ZINC000677130129 541545004 /nfs/dbraw/zinc/54/50/04/541545004.db2.gz HTHRXYVPPUDSHN-ONEGZZNKSA-N -2 3 302.286 2.068 20 0 DEADHL CC(C)c1ccc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)c([O-])c1 ZINC000677925843 541649409 /nfs/dbraw/zinc/64/94/09/541649409.db2.gz GITANUCAPPIVJJ-LBPRGKRZSA-N -2 3 315.377 2.049 20 0 DEADHL CC(C)c1ccc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c([O-])c1 ZINC000677925843 541649414 /nfs/dbraw/zinc/64/94/14/541649414.db2.gz GITANUCAPPIVJJ-LBPRGKRZSA-N -2 3 315.377 2.049 20 0 DEADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]CCC(=O)[O-])c1Cl ZINC000261855564 203135743 /nfs/dbraw/zinc/13/57/43/203135743.db2.gz 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ZINC000401539728 283159964 /nfs/dbraw/zinc/15/99/64/283159964.db2.gz ADIKHHUVVSRLRS-NSHDSACASA-N -2 3 321.345 2.133 20 0 DEADHL Cc1oc(S(=O)(=O)[N-]CCc2cccc(C)c2)cc1C(=O)[O-] ZINC000578887172 356888614 /nfs/dbraw/zinc/88/86/14/356888614.db2.gz NKNNQFJYPQWROW-UHFFFAOYSA-N -2 3 323.370 2.116 20 0 DEADHL CCOC(=O)c1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)c([O-])c1 ZINC000593922328 358172923 /nfs/dbraw/zinc/17/29/23/358172923.db2.gz QASWRFWXARUNRH-ZJUUUORDSA-N -2 3 321.329 2.008 20 0 DEADHL O=C([O-])c1cnc(C=Cc2cccc(-n3cccn3)c2)[n-]c1=O ZINC000670370014 540926561 /nfs/dbraw/zinc/92/65/61/540926561.db2.gz QKDCPAGNUFHTCR-WAYWQWQTSA-N -2 3 308.297 2.237 20 0 DEADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC000629303846 367157180 /nfs/dbraw/zinc/15/71/80/367157180.db2.gz NPIRVVMYFIQZAV-VIFPVBQESA-N -2 3 321.345 2.195 20 0 DEADHL Cc1ccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)c([O-])c1 ZINC000093916920 193328191 /nfs/dbraw/zinc/32/81/91/193328191.db2.gz PWHFYJAQMZTYMV-UHFFFAOYSA-N -2 3 320.370 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O=C([O-])CCCCC[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000037461967 401913797 /nfs/dbraw/zinc/91/37/97/401913797.db2.gz YOMFDHBKMRACAC-UHFFFAOYSA-N -2 3 323.773 2.402 20 0 DEADHL CC(C)(C)[C@@H](C[N-]S(=O)(=O)c1cccs1)CC(=O)[O-] ZINC000170313181 402504017 /nfs/dbraw/zinc/50/40/17/402504017.db2.gz PJFWSJVUFCVRLZ-SECBINFHSA-N -2 3 305.421 2.163 20 0 DEADHL C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000273702134 403026967 /nfs/dbraw/zinc/02/69/67/403026967.db2.gz NUMFQXMMOPRKSB-HQJQHLMTSA-N -2 3 319.329 2.130 20 0 DEADHL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000274933726 403097098 /nfs/dbraw/zinc/09/70/98/403097098.db2.gz CXHQTGGIPLTKRM-SSDOTTSWSA-N -2 3 309.746 2.011 20 0 DEADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)CC2CCC2)oc1C(=O)[O-] ZINC000634654385 406209806 /nfs/dbraw/zinc/20/98/06/406209806.db2.gz HIZNGOTXULNAJI-VIFPVBQESA-N -2 3 301.364 2.143 20 0 DEADHL O=C([N-]c1n[n-]c(-c2ccc3ccccc3n2)n1)c1cnns1 ZINC000647770635 407048540 /nfs/dbraw/zinc/04/85/40/407048540.db2.gz 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Cc1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C)c(F)cc1F ZINC000275083305 301398586 /nfs/dbraw/zinc/39/85/86/301398586.db2.gz ZGIPSXZMYYBSEV-NSHDSACASA-N -2 3 321.345 2.051 20 0 DEADHL CCc1cc(=O)[n-]c(CN2CCc3ccc(C(=O)[O-])cc3C2)n1 ZINC000575130852 326221584 /nfs/dbraw/zinc/22/15/84/326221584.db2.gz JBPFVRKPCUJQBB-UHFFFAOYSA-N -2 3 313.357 2.001 20 0 DEADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C1CCC1 ZINC000399194778 337314276 /nfs/dbraw/zinc/31/42/76/337314276.db2.gz IQKXONIFYXLSFL-LLVKDONJSA-N -2 3 321.757 2.011 20 0 DEADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](C)[C@H](C(=O)[O-])C(C)C)c1 ZINC000399438154 337316765 /nfs/dbraw/zinc/31/67/65/337316765.db2.gz KBSUJKXWCKUMSX-GXFFZTMASA-N -2 3 317.382 2.158 20 0 DEADHL CC(C)CCC[C@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000037464063 337363977 /nfs/dbraw/zinc/36/39/77/337363977.db2.gz APOCZLIJQKIPDA-JTQLQIEISA-N -2 3 303.380 2.471 20 0 DEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2Cl)o1 ZINC000020593412 599765588 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Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])c([O-])c1 ZINC000830191558 604059420 /nfs/dbraw/zinc/05/94/20/604059420.db2.gz CFNRADYQRHKMKL-NEPJUHHUSA-N -2 3 304.346 2.058 20 0 DEADHL O=C([O-])N1CCC[C@H]1CCC(=O)NCc1ccc([O-])c(F)c1 ZINC000833996296 605526586 /nfs/dbraw/zinc/52/65/86/605526586.db2.gz LFXWWFLZQPHWCJ-NSHDSACASA-N -2 3 310.325 2.070 20 0 DEADHL Cc1cccc([N-]S(=O)(=O)CC2(F)CCC2)c1C(=O)[O-] ZINC000905991715 644109718 /nfs/dbraw/zinc/10/97/18/644109718.db2.gz RSCZCUBJZDKDIO-UHFFFAOYSA-N -2 3 301.339 2.327 20 0 DEADHL Cc1nc(C=Cc2cccnc2Cl)[n-]c(=O)c1CC(=O)[O-] ZINC000794713249 644464721 /nfs/dbraw/zinc/46/47/21/644464721.db2.gz MBKWFYFDDCWNPQ-PLNGDYQASA-N -2 3 305.721 2.337 20 0 DEADHL CC[C@H](C)C[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909050137 645079825 /nfs/dbraw/zinc/07/98/25/645079825.db2.gz XNIOZNPBWKIGFD-JOYOIKCWSA-N -2 3 312.341 2.220 20 0 DEADHL CN(C(=O)NCc1ccc([O-])c(F)c1)C1(C(=O)[O-])CCCCC1 ZINC000909050116 645079885 /nfs/dbraw/zinc/07/98/85/645079885.db2.gz 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ZINC001363609709 1153485598 /nfs/dbraw/zinc/48/55/98/1153485598.db2.gz KKEPVULVRSXUQP-UHFFFAOYSA-N -2 3 311.259 2.488 20 0 DEADHL O=C(NCCCCP(=O)([O-])[O-])C12CC3CC(CC(C3)C1)C2 ZINC001144769506 791024671 /nfs/dbraw/zinc/02/46/71/791024671.db2.gz PFJAAYJKUIWVSZ-UHFFFAOYSA-N -2 3 315.350 2.277 20 0 DEADHL Cn1ccc(C(=O)Nc2cc([O-])cc(Cl)c2)c1CC(=O)[O-] ZINC001177367869 794646854 /nfs/dbraw/zinc/64/68/54/794646854.db2.gz XNJFSXFUXLTAGJ-UHFFFAOYSA-N -2 3 308.721 2.264 20 0 DEADHL O=C(Cc1ccc([S-])cc1)Nc1nc(C(F)(F)F)n[n-]1 ZINC001183183994 795817906 /nfs/dbraw/zinc/81/79/06/795817906.db2.gz DMECRTSTYLHQAV-UHFFFAOYSA-N -2 3 302.281 2.293 20 0 DEADHL CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([S-])cc2)cc1 ZINC001191611908 797236940 /nfs/dbraw/zinc/23/69/40/797236940.db2.gz WUXRVRHPLZGQBY-UHFFFAOYSA-N -2 3 322.411 2.136 20 0 DEADHL Cc1cc(NC(=O)NCCCCP(=O)([O-])[O-])ccc1F ZINC001192408078 797386280 /nfs/dbraw/zinc/38/62/80/797386280.db2.gz XPMJYVHSIHQBFM-UHFFFAOYSA-N -2 3 304.258 2.214 20 0 DEADHL O=C(NCCP(=O)([O-])[O-])Nc1ccccc1C(F)(F)F ZINC001202169778 798835100 /nfs/dbraw/zinc/83/51/00/798835100.db2.gz GZQKVYQXTROPEE-UHFFFAOYSA-N -2 3 312.184 2.005 20 0 DEADHL O=C([O-])C1(c2ccc(-c3ccc(-c4nnn[n-]4)nc3)cc2)CC1 ZINC001222686514 802729035 /nfs/dbraw/zinc/72/90/35/802729035.db2.gz SGSMCTJBRQDRKL-UHFFFAOYSA-N -2 3 307.313 2.045 20 0 DEADHL COc1ccc([C@@H](C)Oc2nc3ncnc-3c([S-])[n-]2)cn1 ZINC001226785132 803158473 /nfs/dbraw/zinc/15/84/73/803158473.db2.gz KDRUGYIYGYREIM-SSDOTTSWSA-N -2 3 303.347 2.185 20 0 DEADHL COc1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)c([O-])c1 ZINC000320237488 950980179 /nfs/dbraw/zinc/98/01/79/950980179.db2.gz FYGAQXVVCDLQQI-QGZVFWFLSA-N -2 3 315.325 2.131 20 0 DEADHL CCc1cccc(C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)c1[O-] ZINC001593640371 953641165 /nfs/dbraw/zinc/64/11/65/953641165.db2.gz YHSFDEHDAVCLNX-UHFFFAOYSA-N -2 3 317.345 2.223 20 0 DEADHL CC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259222452 960686661 /nfs/dbraw/zinc/68/66/61/960686661.db2.gz 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GALHCPIBZYCFJT-UHFFFAOYSA-N -2 3 321.310 2.203 20 0 DEADHL CO[C@H](CS(=O)(=O)[N-]c1c([O-])cccc1Cl)C(C)C ZINC000641687150 406872434 /nfs/dbraw/zinc/87/24/34/406872434.db2.gz IWCKTYCNRGCEAE-LLVKDONJSA-N -2 3 307.799 2.458 20 0 DEADHL CC1(C)CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC000131029472 196133663 /nfs/dbraw/zinc/13/36/63/196133663.db2.gz AXAHJUAETIRZHM-VIFPVBQESA-N -2 3 303.405 2.303 20 0 DEADHL CC(C)(C)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000131669674 196189565 /nfs/dbraw/zinc/18/95/65/196189565.db2.gz PFPLJVZPJUUQPT-UHFFFAOYSA-N -2 3 303.355 2.238 20 0 DEADHL Cc1cc(=O)[n-]c([C@H](C)N(C)Cc2ccc(C(=O)[O-])cc2)n1 ZINC000652459396 425272670 /nfs/dbraw/zinc/27/26/70/425272670.db2.gz NRMAFXVKNGHWKJ-NSHDSACASA-N -2 3 301.346 2.382 20 0 DEADHL Cc1cc(S(=O)(=O)[N-]C(C)(C)c2ccccc2)oc1C(=O)[O-] ZINC000663420694 425837636 /nfs/dbraw/zinc/83/76/36/425837636.db2.gz IKBUTCWFBZEHHX-UHFFFAOYSA-N -2 3 323.370 2.500 20 0 DEADHL CCc1cccc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c1[O-] ZINC000572954367 326002088 /nfs/dbraw/zinc/00/20/88/326002088.db2.gz UEPGPEVKXUYZNX-LLVKDONJSA-N -2 3 317.345 2.063 20 0 DEADHL Cc1ccc(S(=O)(=O)[N-][C@H]2CCCCCC[C@@H]2C(=O)[O-])o1 ZINC000577106517 326343237 /nfs/dbraw/zinc/34/32/37/326343237.db2.gz IQPVUKVXGVBCFS-RYUDHWBXSA-N -2 3 315.391 2.290 20 0 DEADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3)C2)c1 ZINC000583691269 336951940 /nfs/dbraw/zinc/95/19/40/336951940.db2.gz IHUMLNDASUQRBH-AULYBMBSSA-N -2 3 321.354 2.202 20 0 DEADHL CC[C@](C)([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000097895647 599982567 /nfs/dbraw/zinc/98/25/67/599982567.db2.gz LTSRZJTZULWOBY-NSHDSACASA-N -2 3 309.746 2.011 20 0 DEADHL Cc1oc(S(=O)(=O)[N-]Cc2ccc(Cl)o2)cc1C(=O)[O-] ZINC000833027526 601215270 /nfs/dbraw/zinc/21/52/70/601215270.db2.gz VBCMLFZABWPGHM-UHFFFAOYSA-N -2 3 319.722 2.011 20 0 DEADHL CC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000828672416 601480313 /nfs/dbraw/zinc/48/03/13/601480313.db2.gz RLDJIPALUKPXIN-LBPRGKRZSA-N -2 3 323.773 2.401 20 0 DEADHL O=C([O-])CN(Cc1nc2c3ccccc3oc2c(=O)[n-]1)C1CC1 ZINC000833248950 601580688 /nfs/dbraw/zinc/58/06/88/601580688.db2.gz JRHPCGGKWFWGGC-UHFFFAOYSA-N -2 3 313.313 2.131 20 0 DEADHL O=C([O-])c1csc(NC(=O)c2cc3c(cc2[O-])OCO3)c1 ZINC000833342515 604707257 /nfs/dbraw/zinc/70/72/57/604707257.db2.gz CAKRIOVXPVYORW-UHFFFAOYSA-N -2 3 307.283 2.133 20 0 DEADHL C[C@H]1CCC[C@@H](CC[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000833608534 605203969 /nfs/dbraw/zinc/20/39/69/605203969.db2.gz BJEYMJSTAOVMPF-QWRGUYRKSA-N -2 3 315.391 2.473 20 0 DEADHL C[C@@H]1CC([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C[C@@H](C)C1 ZINC000710616514 605205642 /nfs/dbraw/zinc/20/56/42/605205642.db2.gz JQHSRARPBOVFPY-IUCAKERBSA-N -2 3 301.364 2.081 20 0 DEADHL O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1cc(F)ccc1[O-] ZINC000823337278 606197878 /nfs/dbraw/zinc/19/78/78/606197878.db2.gz JSFUXBPJJQEEHR-UHFFFAOYSA-N -2 3 317.255 2.103 20 0 DEADHL Cc1cc(S(=O)(=O)[N-]C[C@@]23C[C@@H]2CCCC3)oc1C(=O)[O-] ZINC000903039628 643226600 /nfs/dbraw/zinc/22/66/00/643226600.db2.gz WCSTWEUVFFPVHS-IINYFYTJSA-N -2 3 313.375 2.145 20 0 DEADHL Cc1cc(=O)[n-]c([C@H](C)N2CCc3cc(C(=O)[O-])ccc3C2)n1 ZINC000903616057 643403840 /nfs/dbraw/zinc/40/38/40/643403840.db2.gz CGVQRLQYZZQFPJ-NSHDSACASA-N -2 3 313.357 2.308 20 0 DEADHL O=C([O-])c1ccc([N-]S(=O)(=O)CC2(F)CC2)c(Cl)c1 ZINC000905986068 644107634 /nfs/dbraw/zinc/10/76/34/644107634.db2.gz GQZUGPDWPLQQLX-UHFFFAOYSA-N -2 3 307.730 2.282 20 0 DEADHL C[C@@H](C(=O)[O-])N(C(=O)NCc1ccc([O-])c(F)c1)C1CCC1 ZINC000909046634 645079054 /nfs/dbraw/zinc/07/90/54/645079054.db2.gz BRKSPSRNSMLZPG-VIFPVBQESA-N -2 3 310.325 2.069 20 0 DEADHL O=C([O-])C1(CNC(=O)c2cc([O-])cc(C(F)(F)F)c2)CCC1 ZINC000909272111 645144358 /nfs/dbraw/zinc/14/43/58/645144358.db2.gz DFZVTURSMOEBDY-UHFFFAOYSA-N -2 3 317.263 2.396 20 0 DEADHL CCCCC[C@@H](C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000828812765 649226131 /nfs/dbraw/zinc/22/61/31/649226131.db2.gz MNTYNFOZPPWMHW-MRVPVSSYSA-N -2 3 306.409 2.088 20 0 DEADHL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)cc1N ZINC001174981726 794120256 /nfs/dbraw/zinc/12/02/56/794120256.db2.gz GYKMZOFATMUXJF-UHFFFAOYSA-N -2 3 320.370 2.385 20 0 DEADHL O=C([O-])CNC(=O)c1ccc(Nc2c(F)cc([O-])cc2F)cc1 ZINC001175102962 794130233 /nfs/dbraw/zinc/13/02/33/794130233.db2.gz QCHXUDXSNGDJHT-UHFFFAOYSA-N -2 3 322.267 2.228 20 0 DEADHL O=C(NCCCCP(=O)([O-])[O-])c1cc2c(s1)CCCC2 ZINC001150815824 794962880 /nfs/dbraw/zinc/96/28/80/794962880.db2.gz HTEIYHIDUYSNFB-UHFFFAOYSA-N -2 3 317.347 2.315 20 0 DEADHL O=C([O-])C(F)(F)C(F)(F)C(=O)[N-]Cc1cccc2cc[nH]c21 ZINC001180176730 795247517 /nfs/dbraw/zinc/24/75/17/795247517.db2.gz MMHYFPOYTWTQPV-UHFFFAOYSA-N -2 3 318.226 2.139 20 0 DEADHL C[C@@H](NC(=O)NCCCCP(=O)([O-])[O-])C1CCCCC1 ZINC001186353275 796392628 /nfs/dbraw/zinc/39/26/28/796392628.db2.gz KQDOYEOUQBFMNM-LLVKDONJSA-N -2 3 306.343 2.212 20 0 DEADHL O=C(NCCCCP(=O)([O-])[O-])c1cccc(-c2cnco2)c1 ZINC001188956351 796746845 /nfs/dbraw/zinc/74/68/45/796746845.db2.gz GFTMTTUFXBHRGK-UHFFFAOYSA-N -2 3 324.273 2.029 20 0 DEADHL O=S(=O)([N-]c1cncc([O-])c1)c1cc(F)cc(F)c1F ZINC001190352757 796986015 /nfs/dbraw/zinc/98/60/15/796986015.db2.gz FDUTZKXOMNPPSW-UHFFFAOYSA-N -2 3 304.249 2.005 20 0 DEADHL CSc1ccc(C(=O)NCCCCP(=O)([O-])[O-])s1 ZINC001192649855 797423348 /nfs/dbraw/zinc/42/33/48/797423348.db2.gz IPAILLNIQSQILF-UHFFFAOYSA-N -2 3 309.349 2.158 20 0 DEADHL COC(=O)c1nc2nc(-c3cc(F)c([O-])cc3F)ccc2[n-]1 ZINC001211360238 801552955 /nfs/dbraw/zinc/55/29/55/801552955.db2.gz PZMWMWUHZJRAFP-UHFFFAOYSA-N -2 3 305.240 2.395 20 0 DEADHL COC(=O)c1nc2ccc(-c3cc(F)c([O-])cc3F)nc2[n-]1 ZINC001211360238 801552957 /nfs/dbraw/zinc/55/29/57/801552957.db2.gz PZMWMWUHZJRAFP-UHFFFAOYSA-N -2 3 305.240 2.395 20 0 DEADHL COc1ccc(OC(C)C)c(COCCP(=O)([O-])[O-])c1 ZINC001224607108 802886283 /nfs/dbraw/zinc/88/62/83/802886283.db2.gz TWSQDLHQISCUOW-UHFFFAOYSA-N -2 3 304.279 2.177 20 0 DEADHL Cc1cc(NC(=O)c2c([O-])cccc2F)cc(-c2nn[n-]n2)c1 ZINC001570920556 948601290 /nfs/dbraw/zinc/60/12/90/948601290.db2.gz STUUEKPUIUVEBT-UHFFFAOYSA-N -2 3 313.292 2.272 20 0 DEADHL O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1cc([O-])ccc1Cl ZINC000319691136 950965806 /nfs/dbraw/zinc/96/58/06/950965806.db2.gz UEOJWIFRHKKTHI-AWEZNQCLSA-N -2 3 319.744 2.471 20 0 DEADHL COc1cccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)c1[O-] ZINC000387137879 972106435 /nfs/dbraw/zinc/10/64/35/972106435.db2.gz OXAAEJQQEKMQIK-UHFFFAOYSA-N -2 3 305.261 2.490 20 0 DEADHL O=C([O-])[C@@H]1CC[C@H](NC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC001594685036 956707099 /nfs/dbraw/zinc/70/70/99/956707099.db2.gz GFGQWRDDKZOCHB-NEPJUHHUSA-N -2 3 309.337 2.224 20 0 DEADHL O=C([O-])[C@@H]1CCCN1Cc1cccc([O-])c1Br ZINC001574845695 957954540 /nfs/dbraw/zinc/95/45/40/957954540.db2.gz KGXFIUJILUAGRM-VIFPVBQESA-N -2 3 300.152 2.204 20 0 DEADHL CC1CC([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)C1 ZINC001259212159 960661805 /nfs/dbraw/zinc/66/18/05/960661805.db2.gz BBIDFBMSIWBSIR-UHFFFAOYSA-N -2 3 321.757 2.254 20 0 DEADHL O=C([O-])c1cccc(CSc2nc3nncc-3c(O)[n-]2)c1 ZINC001606517610 974013102 /nfs/dbraw/zinc/01/31/02/974013102.db2.gz AAUCPMOOVNSABS-UHFFFAOYSA-N -2 3 302.315 2.049 20 0 DEADHL C[C@@H](CC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC001592521314 978374418 /nfs/dbraw/zinc/37/44/18/978374418.db2.gz UMVUGDIPAPUTSY-NSHDSACASA-N -2 3 323.370 2.450 20 0 DEADHL CC[C@@H](CC(=O)[N-]OCCCC(=O)[O-])c1ccc(OC)cc1 ZINC001595037183 979203818 /nfs/dbraw/zinc/20/38/18/979203818.db2.gz RVFVRFVNVXPZSR-LBPRGKRZSA-N -2 3 309.362 2.492 20 0 DEADHL CCC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(C)(C)C ZINC001595604671 981589602 /nfs/dbraw/zinc/58/96/02/981589602.db2.gz NAPWZHSGKFSRCQ-JTQLQIEISA-N -2 3 303.380 2.471 20 0 DEADHL CCOc1cc(C(=O)[N-]c2nc(C3CC3)c(C(=O)[O-])s2)on1 ZINC001597010731 986352467 /nfs/dbraw/zinc/35/24/67/986352467.db2.gz FQJZAFROMIGAIM-UHFFFAOYSA-N -2 3 323.330 2.358 20 0 DEADHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]2C2CC2)c1 ZINC001602557512 1069675553 /nfs/dbraw/zinc/67/55/53/1069675553.db2.gz 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COc1ccc(F)c(S(=O)(=O)[N-]c2ccc(F)c([O-])c2)c1 ZINC001196760079 798100012 /nfs/dbraw/zinc/10/00/12/798100012.db2.gz AMDHAIARZNAAOC-UHFFFAOYSA-N -2 3 315.297 2.480 20 0 DEADHL O=S(=O)([N-][C@H]1[CH]CC=C1)c1cccc(F)c1Br ZINC001201789357 798801342 /nfs/dbraw/zinc/80/13/42/798801342.db2.gz GAJRRYKTAWCOFV-MRVPVSSYSA-N -2 3 319.175 2.399 20 0 DEADHL Nc1cc(F)ccc1S(=O)(=O)[N-]c1cc([O-])cc(F)c1 ZINC001208198814 800928612 /nfs/dbraw/zinc/92/86/12/800928612.db2.gz GMGSIZPMUCLFEW-UHFFFAOYSA-N -2 3 300.286 2.053 20 0 DEADHL CCOc1ccc(C(=O)[O-])cc1Nc1ccc(C(N)=O)c([O-])c1 ZINC001214279369 801697767 /nfs/dbraw/zinc/69/77/67/801697767.db2.gz KAQOMCCDTITBLS-UHFFFAOYSA-N -2 3 316.313 2.332 20 0 DEADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2C=CCCC2)c(F)cc1F ZINC000185042399 801979169 /nfs/dbraw/zinc/97/91/69/801979169.db2.gz MIEIDDZGDOBRHC-QMMMGPOBSA-N -2 3 317.313 2.050 20 0 DEADHL O=c1nc2cn[n-]c2c(O[C@H]2Cc3cccc4cccc2c34)[n-]1 ZINC001233936080 802246555 /nfs/dbraw/zinc/24/65/55/802246555.db2.gz VSKPJQRVTKFVIF-ZDUSSCGKSA-N -2 3 304.309 2.476 20 0 DEADHL COc1ccc([C@@H](Oc2[n-]c(=O)nc3cn[n-]c32)C(C)C)cc1 ZINC001233939066 802246713 /nfs/dbraw/zinc/24/67/13/802246713.db2.gz GWSKUZVQXABFPQ-AWEZNQCLSA-N -2 3 314.345 2.431 20 0 DEADHL Cc1ccc(COc2[n-]c(=O)nc3cn[n-]c32)c(OC(C)C)c1 ZINC001233943948 802248296 /nfs/dbraw/zinc/24/82/96/802248296.db2.gz KONWTIQWAJPZGK-UHFFFAOYSA-N -2 3 314.345 2.321 20 0 DEADHL C[C@H](OCCP(=O)([O-])[O-])c1ccc(Br)nc1 ZINC001224604764 802885813 /nfs/dbraw/zinc/88/58/13/802885813.db2.gz FVPIWGICZAAQCC-ZETCQYMHSA-N -2 3 310.084 2.099 20 0 DEADHL COc1cccc(OC[C@H](C)OCCCCP(=O)([O-])[O-])c1 ZINC001225019560 802928376 /nfs/dbraw/zinc/92/83/76/802928376.db2.gz YKFHFWXSNWCHTG-LBPRGKRZSA-N -2 3 318.306 2.437 20 0 DEADHL CCOC(=O)[C@H]1CCC[C@@H](Oc2nc3ncnc-3c([S-])[n-]2)C1 ZINC001226781312 803158863 /nfs/dbraw/zinc/15/88/63/803158863.db2.gz AHCRFGSBQFXABR-DTWKUNHWSA-N -2 3 322.390 2.142 20 0 DEADHL C[C@@H](COc1ccccc1)Oc1nc2ncnc-2c([S-])[n-]1 ZINC001226779978 803158911 /nfs/dbraw/zinc/15/89/11/803158911.db2.gz BFYKYAGUPYOAAK-VIFPVBQESA-N -2 3 302.359 2.488 20 0 DEADHL COc1cccc([O-])c1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000404660688 953379373 /nfs/dbraw/zinc/37/93/73/953379373.db2.gz QSJCCJVXFVFUJS-LLVKDONJSA-N -2 3 307.346 2.118 20 0 DEADHL CC[C@H](CNC(=O)c1c[n-]c2c(Cl)cccc2c1=O)C(=O)[O-] ZINC001589550668 955212928 /nfs/dbraw/zinc/21/29/28/955212928.db2.gz CVVMXBVOQLKRFO-MRVPVSSYSA-N -2 3 322.748 2.022 20 0 DEADHL CC(=O)c1ccc(C(=O)NCc2ccccc2C(=O)[O-])cc1[O-] ZINC001588528141 958881103 /nfs/dbraw/zinc/88/11/03/958881103.db2.gz AFNMGAWFSFYXIE-UHFFFAOYSA-N -2 3 313.309 2.223 20 0 DEADHL Cc1cccc2c(=O)c(C(=O)Nc3cc(C(=O)[O-])ccn3)c[n-]c12 ZINC001594411591 958954677 /nfs/dbraw/zinc/95/46/77/958954677.db2.gz ZTIXGHUBODKGMQ-UHFFFAOYSA-N -2 3 323.308 2.182 20 0 DEADHL O=C([O-])c1coc(C[N-]S(=O)(=O)c2sccc2Cl)c1 ZINC001571154895 961853360 /nfs/dbraw/zinc/85/33/60/961853360.db2.gz WWAIGRAYXDOIPC-UHFFFAOYSA-N -2 3 321.763 2.171 20 0 DEADHL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC001603359868 972816938 /nfs/dbraw/zinc/81/69/38/972816938.db2.gz CGFOOXWNWDIGTD-WCQYABFASA-N -2 3 323.364 2.423 20 0 DEADHL CC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001595440429 981076987 /nfs/dbraw/zinc/07/69/87/981076987.db2.gz KCVAZEABUONHOR-ZJUUUORDSA-N -2 3 301.364 2.143 20 0 DEADHL CS[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(C)(C)C ZINC001599787780 987953439 /nfs/dbraw/zinc/95/34/39/987953439.db2.gz XQZFCGKIIPBKCW-SECBINFHSA-N -2 3 321.420 2.034 20 0 DEADHL CC(C)(NC(=O)c1cc([O-])ccc1Cl)c1nocc1C(=O)[O-] ZINC001590858561 990747059 /nfs/dbraw/zinc/74/70/59/990747059.db2.gz KWFXZWRANYVWLZ-UHFFFAOYSA-N -2 3 324.720 2.397 20 0 DEADHL CC1(C)C(C)(C)C1(C)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001593831320 996575491 /nfs/dbraw/zinc/57/54/91/996575491.db2.gz WMLFRZVHFIZYMV-UHFFFAOYSA-N -2 3 301.364 2.081 20 0 DEADHL CC1([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC=CC1 ZINC001594065727 997873935 /nfs/dbraw/zinc/87/39/35/997873935.db2.gz GDVHKRNTOXHMHN-UHFFFAOYSA-N -2 3 317.313 2.050 20 0 DEADHL CO[C@H]1CN(C(=O)c2ccc(C(C)C)cc2[O-])[C@](C)(C(=O)[O-])C1 ZINC001599130704 997937540 /nfs/dbraw/zinc/93/75/40/997937540.db2.gz PYYCCBWGJWXMGH-PXAZEXFGSA-N -2 3 321.373 2.220 20 0 DEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2C2CC2)o1 ZINC001602399292 1069627218 /nfs/dbraw/zinc/62/72/18/1069627218.db2.gz QOHCWZPLMFTCDO-MNOVXSKESA-N -2 3 313.375 2.082 20 0 DEADHL CC(=Cc1cccc(F)c1)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001602906560 1069791774 /nfs/dbraw/zinc/79/17/74/1069791774.db2.gz NTSLRALIVJJXJC-VURMDHGXSA-N -2 3 312.308 2.370 20 0 DEADHL CC(=Cc1cccc(F)c1)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001602906560 1069791784 /nfs/dbraw/zinc/79/17/84/1069791784.db2.gz NTSLRALIVJJXJC-VURMDHGXSA-N -2 3 312.308 2.370 20 0 DEADHL O=C([O-])C[C@H]1CCCN(c2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC001606961604 1071254158 /nfs/dbraw/zinc/25/41/58/1071254158.db2.gz WETFIBZJUSPXLM-SECBINFHSA-N -2 3 321.768 2.211 20 0 DEADHL COc1ccc([O-])c(C(=O)Nc2ccc(C(=O)[O-])cc2OC)c1 ZINC001607276895 1071392331 /nfs/dbraw/zinc/39/23/31/1071392331.db2.gz BOHKASURDCRNSF-UHFFFAOYSA-N -2 3 317.297 2.360 20 0 DEADHL CC(=O)c1ccc(C(=O)N2C3CCC(CC3)[C@H]2C(=O)[O-])cc1[O-] ZINC001573397145 1068990536 /nfs/dbraw/zinc/99/05/36/1068990536.db2.gz GMVODTLWYPMUGW-QHAMSDLMSA-N -2 3 317.341 2.063 20 0 DEADHL CSc1ccc([O-])c(C(=O)N[C@H]2CCC[C@@]2(C)C(=O)[O-])c1 ZINC001574098219 1069152718 /nfs/dbraw/zinc/15/27/18/1069152718.db2.gz ASNKUXYAQXNYLM-SWLSCSKDSA-N -2 3 309.387 2.487 20 0 DEADHL Cc1cc(NC(=O)C(C)(C)CCC(=O)[O-])cc(-c2nnn[n-]2)c1 ZINC001592014603 1076830767 /nfs/dbraw/zinc/83/07/67/1076830767.db2.gz CXPMPALJANDGBA-UHFFFAOYSA-N -2 3 317.349 2.005 20 0 DEADHL Cc1cc(NC(=O)C(C)(C)CCC(=O)[O-])cc(-c2nn[n-]n2)c1 ZINC001592014603 1076830773 /nfs/dbraw/zinc/83/07/73/1076830773.db2.gz CXPMPALJANDGBA-UHFFFAOYSA-N -2 3 317.349 2.005 20 0 DEADHL O=C([O-])C1CCC(Nc2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC001593274290 1076987946 /nfs/dbraw/zinc/98/79/46/1076987946.db2.gz MANCIIVZIRNNLE-UHFFFAOYSA-N -2 3 323.303 2.200 20 0 DEADHL Cc1cc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)oc1C(=O)[O-] ZINC001600100581 1077136972 /nfs/dbraw/zinc/13/69/72/1077136972.db2.gz IVWBZWGSRJNWLW-UHFFFAOYSA-N -2 3 301.258 2.120 20 0 DEADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)c1 ZINC001600429888 1077200006 /nfs/dbraw/zinc/20/00/06/1077200006.db2.gz UKHAPXNDAIADCZ-UHFFFAOYSA-N -2 3 324.333 2.337 20 0 DEADHL O=C([O-])CCCO[N-]C(=O)Cc1cc(Cl)cc(Cl)c1 ZINC001601994539 1077491027 /nfs/dbraw/zinc/49/10/27/1077491027.db2.gz DGNGHMZHYZJDDX-UHFFFAOYSA-N -2 3 306.145 2.449 20 0 DEADHL O=C([O-])[C@@H]1CC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001602175111 1077520737 /nfs/dbraw/zinc/52/07/37/1077520737.db2.gz NESLVJWHFZYSMA-APPZFPTMSA-N -2 3 324.185 2.135 20 0 DEADHL Cc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)cc1C(=O)[O-] ZINC001609426171 1077857486 /nfs/dbraw/zinc/85/74/86/1077857486.db2.gz HIUHMRGCQRPCOY-UHFFFAOYSA-N -2 3 309.329 2.485 20 0 DEADHL Cc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)cc1C(=O)[O-] ZINC001609426171 1077857496 /nfs/dbraw/zinc/85/74/96/1077857496.db2.gz HIUHMRGCQRPCOY-UHFFFAOYSA-N -2 3 309.329 2.485 20 0 DEADHL COc1cc(C(=O)[N-]c2sc3c(c2C(=O)[O-])CCC3)on1 ZINC001610281553 1077998925 /nfs/dbraw/zinc/99/89/25/1077998925.db2.gz JRNPDXVTNJZEFD-UHFFFAOYSA-N -2 3 308.315 2.184 20 0 DEADHL COc1ccc(C(=O)[O-])cc1-c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001242392411 1139897657 /nfs/dbraw/zinc/89/76/57/1139897657.db2.gz UQTCETCOPFZVAZ-UHFFFAOYSA-N -2 3 314.276 2.380 20 0 DEADHL COc1ccc(C(=O)[O-])cc1-c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001242392411 1139897658 /nfs/dbraw/zinc/89/76/58/1139897658.db2.gz UQTCETCOPFZVAZ-UHFFFAOYSA-N -2 3 314.276 2.380 20 0 DEADHL O=P([O-])([O-])CCCCNC(=S)Nc1cc(F)ccc1F ZINC001248618050 1141807586 /nfs/dbraw/zinc/80/75/86/1141807586.db2.gz QBVBGTLSKSRDNJ-UHFFFAOYSA-N -2 3 324.289 2.209 20 0 DEADHL CC(C)(CC[N-]S(=O)(=O)c1ccccc1F)CCC(=O)[O-] ZINC000087672832 185229950 /nfs/dbraw/zinc/22/99/50/185229950.db2.gz HCQWLQCJBQEAGE-UHFFFAOYSA-N -2 3 317.382 2.385 20 0 DEADHL Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)ccn1 ZINC000092349049 185313426 /nfs/dbraw/zinc/31/34/26/185313426.db2.gz ARWUNQKYZIEPNT-UHFFFAOYSA-N -2 3 310.306 2.028 20 0 DEADHL COc1ccc([O-])c(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1 ZINC000322084915 539901382 /nfs/dbraw/zinc/90/13/82/539901382.db2.gz SDMOLEUDLTUSCF-NSHDSACASA-N -2 3 321.373 2.364 20 0 DEADHL O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(Cl)ccc1[O-] ZINC000073956732 354995298 /nfs/dbraw/zinc/99/52/98/354995298.db2.gz LKJPYIMVEDRLMJ-UHFFFAOYSA-N -2 3 306.631 2.435 20 0 DEADHL O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc(Cl)ccc1[O-] ZINC000073956732 354995301 /nfs/dbraw/zinc/99/53/01/354995301.db2.gz LKJPYIMVEDRLMJ-UHFFFAOYSA-N -2 3 306.631 2.435 20 0 DEADHL O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc(Cl)ccc1[O-] ZINC000073956732 354995303 /nfs/dbraw/zinc/99/53/03/354995303.db2.gz LKJPYIMVEDRLMJ-UHFFFAOYSA-N -2 3 306.631 2.435 20 0 DEADHL Cc1ncc(S(=O)(=O)[N-]CCC(C)(C)CCC(=O)[O-])s1 ZINC000230099535 356282923 /nfs/dbraw/zinc/28/29/23/356282923.db2.gz KJVLKTXMWMXHIW-UHFFFAOYSA-N -2 3 320.436 2.011 20 0 DEADHL C[C@@H](CCC(C)(C)C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000386126354 356694405 /nfs/dbraw/zinc/69/44/05/356694405.db2.gz NFGVICURISRCQP-VIFPVBQESA-N -2 3 303.380 2.471 20 0 DEADHL CC(C)c1ccc(C(=O)NC2(c3nnn[n-]3)CCCC2)c([O-])c1 ZINC000678310318 541710975 /nfs/dbraw/zinc/71/09/75/541710975.db2.gz FNQYTYCXMVPPSF-UHFFFAOYSA-N -2 3 315.377 2.228 20 0 DEADHL CC(C)c1ccc(C(=O)NC2(c3nn[n-]n3)CCCC2)c([O-])c1 ZINC000678310318 541710977 /nfs/dbraw/zinc/71/09/77/541710977.db2.gz FNQYTYCXMVPPSF-UHFFFAOYSA-N -2 3 315.377 2.228 20 0 DEADHL O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)c1ccc2n[n-]nc2c1 ZINC000262169604 203217286 /nfs/dbraw/zinc/21/72/86/203217286.db2.gz WHLSWGMAUVQYIS-NWDGAFQWSA-N -2 3 316.361 2.111 20 0 DEADHL CCCC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000035410809 182774856 /nfs/dbraw/zinc/77/48/56/182774856.db2.gz BFFRICSUTOKQQM-SECBINFHSA-N -2 3 323.773 2.401 20 0 DEADHL C[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000042865176 183314871 /nfs/dbraw/zinc/31/48/71/183314871.db2.gz JKPWJPSRHBIZGP-NXEZZACHSA-N -2 3 301.364 2.082 20 0 DEADHL Cc1cccc([N-]S(=O)(=O)CCOCC(F)(F)F)c1[O-] ZINC000685901466 542764170 /nfs/dbraw/zinc/76/41/70/542764170.db2.gz XGHZIQZWWJRNHG-UHFFFAOYSA-N -2 3 313.297 2.021 20 0 DEADHL CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000563076413 292030014 /nfs/dbraw/zinc/03/00/14/292030014.db2.gz YKVIAPWVRZIHMO-RKDXNWHRSA-N -2 3 318.420 2.088 20 0 DEADHL Cc1oc(S(=O)(=O)[N-]C2CCCCCC2)cc1C(=O)[O-] ZINC000563076109 292029770 /nfs/dbraw/zinc/02/97/70/292029770.db2.gz JCSPZFUEJGXULE-UHFFFAOYSA-N -2 3 301.364 2.287 20 0 DEADHL Cc1cc(CS(=O)(=O)[N-]c2c(C)cc(C)cc2C(=O)[O-])on1 ZINC000547869754 285652834 /nfs/dbraw/zinc/65/28/34/285652834.db2.gz QUPSRQRRHSZCPY-UHFFFAOYSA-N -2 3 324.358 2.240 20 0 DEADHL CCCC[C@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)C(=O)[O-] ZINC000262504721 145288711 /nfs/dbraw/zinc/28/87/11/145288711.db2.gz ZMQMMDMLMZWSCE-NSHDSACASA-N -2 3 323.773 2.401 20 0 DEADHL Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)c([O-])c1 ZINC000263183569 145333352 /nfs/dbraw/zinc/33/33/52/145333352.db2.gz RUEMKAVCYPUQDW-NXEZZACHSA-N -2 3 317.263 2.036 20 0 DEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2c(C)cccc2O)c1 ZINC000346416345 146078522 /nfs/dbraw/zinc/07/85/22/146078522.db2.gz XXUXABZUOGLPJZ-UHFFFAOYSA-N -2 3 309.343 2.216 20 0 DEADHL CC(C)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000037406011 401912692 /nfs/dbraw/zinc/91/26/92/401912692.db2.gz CKFFAHYCXWATRZ-SNVBAGLBSA-N -2 3 323.773 2.257 20 0 DEADHL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000037413054 401913518 /nfs/dbraw/zinc/91/35/18/401913518.db2.gz TZFMFCGMTNESAJ-ZCFIWIBFSA-N -2 3 312.174 2.135 20 0 DEADHL C[C@@H]1CC(C)(C)CC[C@@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000566173760 292214206 /nfs/dbraw/zinc/21/42/06/292214206.db2.gz OTTDPJGFWKHIPK-ZJUUUORDSA-N -2 3 315.391 2.471 20 0 DEADHL Cc1ccccc1C[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000566180183 292214900 /nfs/dbraw/zinc/21/49/00/292214900.db2.gz VVHYYLWTFLVLQE-LLVKDONJSA-N -2 3 323.370 2.196 20 0 DEADHL Cc1ccc([O-])c(C(=O)NCCc2n[n-]c(=S)n2C2CC2)c1 ZINC000067119228 402152816 /nfs/dbraw/zinc/15/28/16/402152816.db2.gz WXPSLKDYFUCMQB-UHFFFAOYSA-N -2 3 318.402 2.262 20 0 DEADHL CC[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000068601563 402202414 /nfs/dbraw/zinc/20/24/14/402202414.db2.gz ZGBWVCVGJDSATE-VHSXEESVSA-N -2 3 301.364 2.225 20 0 DEADHL O=C([N-]c1n[n-]c(C(F)(F)F)n1)c1c(F)ccc(F)c1F ZINC000186105144 402402161 /nfs/dbraw/zinc/40/21/61/402402161.db2.gz BVRAAQMGEUKAJT-UHFFFAOYSA-N -2 3 310.157 2.493 20 0 DEADHL Cc1cccc([N-]S(=O)(=O)C[C@H]2CCCCO2)c1C(=O)[O-] ZINC000265874487 402958589 /nfs/dbraw/zinc/95/85/89/402958589.db2.gz KCPIDQLQLLVFJS-LLVKDONJSA-N -2 3 313.375 2.004 20 0 DEADHL CCc1ccc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c([O-])c1 ZINC000332252330 403529804 /nfs/dbraw/zinc/52/98/04/403529804.db2.gz CMXPINDGQBHWJH-LLVKDONJSA-N -2 3 317.345 2.063 20 0 DEADHL O=S(=O)([N-]Cc1ncccc1[O-])c1cc(Cl)ccc1F ZINC000341068470 403759266 /nfs/dbraw/zinc/75/92/66/403759266.db2.gz TUOCMCXHZVEXCH-UHFFFAOYSA-N -2 3 316.741 2.058 20 0 DEADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000297204762 404498841 /nfs/dbraw/zinc/49/88/41/404498841.db2.gz MYIPFTSRXJMCJD-SNVBAGLBSA-N -2 3 323.773 2.401 20 0 DEADHL O=S(=O)([N-]Cc1ncccc1[O-])c1ccc(Cl)cc1F ZINC000360022831 404812281 /nfs/dbraw/zinc/81/22/81/404812281.db2.gz IYULMTNMZWMJRI-UHFFFAOYSA-N -2 3 316.741 2.058 20 0 DEADHL Cc1cscc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000439056143 405264221 /nfs/dbraw/zinc/26/42/21/405264221.db2.gz KIJUHXKZHSDZSI-UHFFFAOYSA-N -3 3 313.356 2.261 20 0 DEADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CC23CCCCC3)cc1C(=O)[O-] ZINC000568507411 292345800 /nfs/dbraw/zinc/34/58/00/292345800.db2.gz WYYHHJMNPHTYGO-LLVKDONJSA-N -2 3 313.375 2.287 20 0 DEADHL CC(C)(C)c1nc(=NC(=O)Cc2ccc([O-])c(F)c2)s[n-]1 ZINC000448893266 405460541 /nfs/dbraw/zinc/46/05/41/405460541.db2.gz IDCUEVLLWGLZHT-UHFFFAOYSA-N -2 3 309.366 2.283 20 0 DEADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](CC2CCC2)C(=O)[O-])c1 ZINC000530368175 405789503 /nfs/dbraw/zinc/78/95/03/405789503.db2.gz WVARXYDMPDGJSG-LBPRGKRZSA-N -2 3 315.366 2.056 20 0 DEADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)C(=O)[O-] ZINC000547591545 406423743 /nfs/dbraw/zinc/42/37/43/406423743.db2.gz RCYDZWFJAKRINP-SNVBAGLBSA-N -2 3 323.773 2.257 20 0 DEADHL CCc1ccc(C(=O)NCc2cc(=O)[n-]c(SC)n2)c([O-])c1 ZINC000640655849 406597164 /nfs/dbraw/zinc/59/71/64/406597164.db2.gz KSQXFSMGUBVIIY-UHFFFAOYSA-N -2 3 319.386 2.102 20 0 DEADHL Cc1[n-][nH]c(=O)c1NC(=O)c1cc(Br)ccc1[O-] ZINC000646412168 406859868 /nfs/dbraw/zinc/85/98/68/406859868.db2.gz FKEGBBNHIZBWET-UHFFFAOYSA-N -2 3 312.123 2.144 20 0 DEADHL C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000650426365 424997211 /nfs/dbraw/zinc/99/72/11/424997211.db2.gz JEFBMGJJIKNSBO-SSDOTTSWSA-N -2 3 321.757 2.011 20 0 DEADHL COCCOCc1cccc(-c2ncc(C(=O)[O-])cc2[O-])c1 ZINC000657203209 425281078 /nfs/dbraw/zinc/28/10/78/425281078.db2.gz MBLYWDUCYMDTOM-UHFFFAOYSA-N -2 3 303.314 2.315 20 0 DEADHL O=C([O-])CC[C@@H]1CCCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000652495884 425284554 /nfs/dbraw/zinc/28/45/54/425284554.db2.gz DQYRTSQKQDWDJX-NSHDSACASA-N -2 3 305.378 2.136 20 0 DEADHL CO[C@@H](CS(=O)(=O)[N-]c1cc([O-])cc(F)c1)C1CCCC1 ZINC000656626485 425805605 /nfs/dbraw/zinc/80/56/05/425805605.db2.gz RIENRJMPACVSSA-AWEZNQCLSA-N -2 3 317.382 2.478 20 0 DEADHL CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000567804701 325862873 /nfs/dbraw/zinc/86/28/73/325862873.db2.gz VDGUZBPUQLYVTJ-CYBMUJFWSA-N -2 3 323.370 2.277 20 0 DEADHL Cc1oc(S(=O)(=O)[N-]C[C@@H](C)c2ccccc2)cc1C(=O)[O-] ZINC000574200235 326132128 /nfs/dbraw/zinc/13/21/28/326132128.db2.gz OHEZFKRRUFNXGW-SNVBAGLBSA-N -2 3 323.370 2.368 20 0 DEADHL CC(C)[C@H](C(=O)[O-])C(=O)Nc1cc(Br)ccc1[O-] ZINC000575753749 326243218 /nfs/dbraw/zinc/24/32/18/326243218.db2.gz ZXBFEVZGXISOJD-JTQLQIEISA-N -2 3 316.151 2.450 20 0 DEADHL CC[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000576870223 326325295 /nfs/dbraw/zinc/32/52/95/326325295.db2.gz OYAGWYBSHIGFKF-GXSJLCMTSA-N -2 3 301.364 2.225 20 0 DEADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCC[C@H]3C2)o1 ZINC000833324675 600774369 /nfs/dbraw/zinc/77/43/69/600774369.db2.gz JXWGPCWEFUWXMJ-GARJFASQSA-N -2 3 313.375 2.225 20 0 DEADHL CCCCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000020551913 600989734 /nfs/dbraw/zinc/98/97/34/600989734.db2.gz QZSFYTLMEURLMS-UHFFFAOYSA-N -2 3 307.318 2.132 20 0 DEADHL O=C([O-])N1CC[C@](F)(C(=O)Nc2cc(Cl)ccc2[O-])C1 ZINC000831907531 603858745 /nfs/dbraw/zinc/85/87/45/603858745.db2.gz FKKUVDMQNLZVJW-GFCCVEGCSA-N -2 3 302.689 2.076 20 0 DEADHL O=C([O-])c1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1F ZINC000833145724 604283747 /nfs/dbraw/zinc/28/37/47/604283747.db2.gz XJVIQHPUIOJVMQ-UHFFFAOYSA-N -2 3 307.252 2.299 20 0 DEADHL COc1ccc(C(=O)N[C@H](CC(=O)[O-])C2CCCC2)c([O-])c1 ZINC000910563616 645492985 /nfs/dbraw/zinc/49/29/85/645492985.db2.gz LJEQQKUVLZPHSS-CYBMUJFWSA-N -2 3 307.346 2.164 20 0 DEADHL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1cccc(F)c1[O-] ZINC000863010280 686420460 /nfs/dbraw/zinc/42/04/60/686420460.db2.gz REFXSJLTSSPODT-VIFPVBQESA-N -2 3 322.258 2.173 20 0 DEADHL C[C@@H]([N-]S(=O)(=O)c1occc1C(=O)[O-])[C@@H](C)c1ccccc1 ZINC000871993692 688909642 /nfs/dbraw/zinc/90/96/42/688909642.db2.gz NVENKCZFGIOMKI-GHMZBOCLSA-N -2 3 323.370 2.448 20 0 DEADHL