smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1cc(Br)c(F)cc1O ZINC001594159137 998591146 /nfs/dbraw/zinc/59/11/46/998591146.db2.gz PPZNSEYKYNDDQM-RNFRBKRXSA-N -1 2 346.152 2.229 20 0 EEADLM CC(C)(C)OC(=O)NC(C(=O)[N-]OCC(F)(F)F)C(F)(F)F ZINC000495947428 316189143 /nfs/dbraw/zinc/18/91/43/316189143.db2.gz GLBMAJOFSNSXGM-YFKPBYRVSA-N -1 2 340.220 2.052 20 0 EEADLM COc1cc(OC)c(NS(=O)(=O)c2ccsc2)c(C(=O)[O-])c1 ZINC000551910122 318479712 /nfs/dbraw/zinc/47/97/12/318479712.db2.gz JVQVFRSVNDEPOK-UHFFFAOYSA-N -1 2 343.382 2.264 20 0 EEADLM CCc1onc(C)c1NS(=O)(=O)c1cc(F)c(C)c(C(=O)[O-])c1 ZINC000567612991 319397048 /nfs/dbraw/zinc/39/70/48/319397048.db2.gz HJTCJBZPZMUJLF-UHFFFAOYSA-N -1 2 342.348 2.492 20 0 EEADLM O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1cccc2[nH]nnc21 ZINC000182774229 323387713 /nfs/dbraw/zinc/38/77/13/323387713.db2.gz WRUSTONYKCKJDJ-CYBMUJFWSA-N -1 2 339.374 2.496 20 0 EEADLM CCn1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cn1 ZINC000066582884 462907159 /nfs/dbraw/zinc/90/71/59/462907159.db2.gz WUKKBNJAXFCIPY-UHFFFAOYSA-N -1 2 329.765 2.055 20 0 EEADLM Cc1ccc(S(=O)(=O)Nc2cn(C)nc2C(C)C)cc1C(=O)[O-] ZINC000281006186 464297291 /nfs/dbraw/zinc/29/72/91/464297291.db2.gz NXIJISBZPQCZLJ-UHFFFAOYSA-N -1 2 337.401 2.351 20 0 EEADLM C[NH+](C)CCn1nccc1NS(=O)(=O)c1ccc(F)cc1Cl ZINC000295192801 464738690 /nfs/dbraw/zinc/73/86/90/464738690.db2.gz LLQCMQRNBGILBN-UHFFFAOYSA-N -1 2 346.815 2.038 20 0 EEADLM CCc1oncc1NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000337874604 465646729 /nfs/dbraw/zinc/64/67/29/465646729.db2.gz TYZPNBZPPGZREK-UHFFFAOYSA-N -1 2 328.321 2.184 20 0 EEADLM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)CCC(F)(F)F ZINC000555588074 468485503 /nfs/dbraw/zinc/48/55/03/468485503.db2.gz NQVKMYFOWVIQNK-UHFFFAOYSA-N -1 2 345.270 2.227 20 0 EEADLM O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)c1ncccc1O ZINC000430110353 467400851 /nfs/dbraw/zinc/40/08/51/467400851.db2.gz HWMYWUOPNPUZIC-OAHLLOKOSA-N -1 2 343.452 2.135 20 0 EEADLM CC(C)(C)OC(=O)NC(C(=O)[N-]OCc1cccnc1)C(F)(F)F ZINC000496573241 467654752 /nfs/dbraw/zinc/65/47/52/467654752.db2.gz RMTYLWBBLGJOAF-SNVBAGLBSA-N -1 2 349.309 2.085 20 0 EEADLM O=C([O-])C[C@H](NS(=O)(=O)CC(F)(F)F)c1ccc(Cl)cc1 ZINC000563080828 469163847 /nfs/dbraw/zinc/16/38/47/469163847.db2.gz MTZZXQJQRGUUSD-VIFPVBQESA-N -1 2 345.726 2.338 20 0 EEADLM Cc1cc(NS(=O)(=O)c2c(C)nn(C(C)C)c2C)c(C(=O)[O-])[nH]1 ZINC000738462311 578016087 /nfs/dbraw/zinc/01/60/87/578016087.db2.gz KRTNCZJIVZNCCK-UHFFFAOYSA-N -1 2 340.405 2.216 20 0 EEADLM Cc1cccc(S(=O)(=O)Nc2n[nH]c3ccccc32)c1C(=O)[O-] ZINC000738747284 578025612 /nfs/dbraw/zinc/02/56/12/578025612.db2.gz RJRXCEYZOMPZIV-UHFFFAOYSA-N -1 2 331.353 2.370 20 0 EEADLM Cc1ccsc1S(=O)(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC000738798351 578027141 /nfs/dbraw/zinc/02/71/41/578027141.db2.gz IHUFYLBPSRWKDH-UHFFFAOYSA-N -1 2 337.382 2.432 20 0 EEADLM C[NH+](C)[C@@H](CNc1nccnc1-c1nn[nH]n1)c1ccccc1Cl ZINC000736757482 578222256 /nfs/dbraw/zinc/22/22/56/578222256.db2.gz AZRAMAYBSVHXKQ-LBPRGKRZSA-N -1 2 344.810 2.025 20 0 EEADLM Cc1ccc([C@@H]2COCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000737330809 578250802 /nfs/dbraw/zinc/25/08/02/578250802.db2.gz KQIPEJMLHOEULR-HNNXBMFYSA-N -1 2 325.372 2.342 20 0 EEADLM Cc1ccc([C@@H]2COCC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000737330809 578250803 /nfs/dbraw/zinc/25/08/03/578250803.db2.gz KQIPEJMLHOEULR-HNNXBMFYSA-N -1 2 325.372 2.342 20 0 EEADLM CN(Cc1ccc(NC(=O)c2ccc3[nH]nnc3c2)cc1)C(=O)[O-] ZINC000737485266 578260205 /nfs/dbraw/zinc/26/02/05/578260205.db2.gz FQDMBEAOMKUGQJ-UHFFFAOYSA-N -1 2 325.328 2.320 20 0 EEADLM CCOc1ccc(S(=O)(=O)Nc2csnc2C(=O)[O-])cc1C ZINC000830094451 602156997 /nfs/dbraw/zinc/15/69/97/602156997.db2.gz CZKVYZIEJRJZDJ-UHFFFAOYSA-N -1 2 342.398 2.349 20 0 EEADLM Cc1cnc(C[N@H+]2CC[C@@H](C)[C@H](NC(=O)c3ccccc3O)C2)cn1 ZINC000965267236 1218996214 /nfs/dbraw/zinc/99/62/14/1218996214.db2.gz KLAGVNPFSOSRJL-CXAGYDPISA-N -1 2 340.427 2.131 20 0 EEADLM COc1cc(Cl)ncc1NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198746769 1285317304 /nfs/dbraw/zinc/31/73/04/1285317304.db2.gz LIHPORYFSRDFLG-UHFFFAOYSA-N -1 2 342.760 2.243 20 0 EEADLM Cc1ccc(F)c(N2CC(=O)C(C(=O)[N-]OCc3cccnc3)=N2)c1 ZINC000798301346 1304976891 /nfs/dbraw/zinc/97/68/91/1304976891.db2.gz PWXJSPYMBHLNRL-UHFFFAOYSA-N -1 2 342.330 2.282 20 0 EEADLM O=c1[nH][nH]c(=O)c2c([N-]S(=O)(=O)C=Cc3ccccc3)cccc12 ZINC001253038094 1317758334 /nfs/dbraw/zinc/75/83/34/1317758334.db2.gz JYHIXJPRUIZHAV-MDZDMXLPSA-N -1 2 343.364 2.454 20 0 EEADLM COc1cc(Cl)nc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001260184709 1319818435 /nfs/dbraw/zinc/81/84/35/1319818435.db2.gz YOUCTPKAMXRJHU-UHFFFAOYSA-N -1 2 342.760 2.243 20 0 EEADLM O=C([O-])c1cc(S(=O)(=O)N[C@H]2CCCC2(F)F)oc1Cl ZINC001602294559 1350487349 /nfs/dbraw/zinc/48/73/49/1350487349.db2.gz KRYZAVUPPNNVQN-LURJTMIESA-N -1 2 329.708 2.097 20 0 EEADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3ccccc3n2)cn1 ZINC001608913639 1351792433 /nfs/dbraw/zinc/79/24/33/1351792433.db2.gz NPJCYJDAIJTSIN-UHFFFAOYSA-N -1 2 329.337 2.129 20 0 EEADLM O=C([O-])c1nccc2c1cccc2S(=O)(=O)Nc1ccc(F)cn1 ZINC001609000095 1351811488 /nfs/dbraw/zinc/81/14/88/1351811488.db2.gz JEDIHBZIBHKWFA-UHFFFAOYSA-N -1 2 347.327 2.268 20 0 EEADLM Cc1cc(Cl)cc(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)c1O ZINC001600219144 1349995876 /nfs/dbraw/zinc/99/58/76/1349995876.db2.gz SBAYZRAHSNENNK-UHFFFAOYSA-N -1 2 342.760 2.248 20 0 EEADLM Cc1cc2c(cc1S(=O)(=O)Nc1sccc1C(=O)[O-])OCO2 ZINC001600308081 1350016725 /nfs/dbraw/zinc/01/67/25/1350016725.db2.gz WADIFLXZJSQBSG-UHFFFAOYSA-N -1 2 341.366 2.284 20 0 EEADLM Cc1cn2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(F)c3)ccc2[nH+]1 ZINC001600613867 1350098491 /nfs/dbraw/zinc/09/84/91/1350098491.db2.gz XXBDMWAMJAFHSX-UHFFFAOYSA-N -1 2 349.343 2.281 20 0 EEADLM O=C([O-])C=Cc1ccc(S(=O)(=O)Nc2c[nH]nc2C2CC2)cc1 ZINC001601883111 1350389627 /nfs/dbraw/zinc/38/96/27/1350389627.db2.gz AKBUNYFKAUZUDB-FPYGCLRLSA-N -1 2 333.369 2.186 20 0 EEADLM CC1(C(=O)[O-])CN(C(=O)c2cc(Cl)cc(Br)c2O)C1 ZINC001604502101 1350950250 /nfs/dbraw/zinc/95/02/50/1350950250.db2.gz MKFAXSPSCFIGRP-UHFFFAOYSA-N -1 2 348.580 2.355 20 0 EEADLM CO[C@H](C)c1cc(=O)n(-c2cc(C(=O)[O-])ccc2Br)[nH]1 ZINC001606659829 1351338749 /nfs/dbraw/zinc/33/87/49/1351338749.db2.gz NOKHWZDHTHHDGF-SSDOTTSWSA-N -1 2 341.161 2.275 20 0 EEADLM Cc1[nH]c(C(=O)[O-])cc1C(=O)CS(=O)(=O)c1ccc(C)cc1C ZINC001607815640 1351564456 /nfs/dbraw/zinc/56/44/56/1351564456.db2.gz DRAHFESNBZGQMR-UHFFFAOYSA-N -1 2 335.381 2.295 20 0 EEADLM O=S(=O)([O-])c1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000244257322 1405705262 /nfs/dbraw/zinc/70/52/62/1405705262.db2.gz WKODZEKXWTZASG-UHFFFAOYSA-N -1 2 349.336 2.012 20 0 EEADLM CN(C)c1nc([C@H]2CC[N@H+](CC(=O)c3ccccc3F)C2)cc(=O)[nH]1 ZINC000864330255 1410461595 /nfs/dbraw/zinc/46/15/95/1410461595.db2.gz QAZJEOFPQUICBR-LBPRGKRZSA-N -1 2 344.390 2.060 20 0 EEADLM Cc1ccc(F)c(N2CC(=O)C(C(=O)[N-]OC/C=C/Cl)=N2)c1 ZINC000794293840 810753453 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O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2ccc3c(c2)CCC3)c1 ZINC000436893515 315009883 /nfs/dbraw/zinc/00/98/83/315009883.db2.gz NTQCMNSOSRBCBF-UHFFFAOYSA-N -1 2 333.365 2.380 20 0 EEADLM C[C@H](C(F)(F)F)S(=O)(=O)NC1(C(=O)[O-])CCC(C)(C)CC1 ZINC000543787148 318174406 /nfs/dbraw/zinc/17/44/06/318174406.db2.gz IRJROTPAWHQFML-MRVPVSSYSA-N -1 2 331.356 2.280 20 0 EEADLM C[C@@H](C(F)(F)F)S(=O)(=O)N[C@@H](CC(=O)[O-])c1ccccc1F ZINC000548246907 318367895 /nfs/dbraw/zinc/36/78/95/318367895.db2.gz DDNDCWIFQHWCKZ-XVKPBYJWSA-N -1 2 343.298 2.212 20 0 EEADLM CC(C)c1nc(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2)cn1C ZINC000567021649 319340886 /nfs/dbraw/zinc/34/08/86/319340886.db2.gz SASCJOWBAXYOCX-UHFFFAOYSA-N -1 2 341.364 2.182 20 0 EEADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C)c2c[nH]nc21 ZINC000072759647 463541359 /nfs/dbraw/zinc/54/13/59/463541359.db2.gz CVSBIXICPCHOLS-UHFFFAOYSA-N -1 2 335.341 2.272 20 0 EEADLM Cc1cccc(C[NH+]2CCN(C(=O)c3c(O)cccc3O)CC2)c1 ZINC000125580465 463558922 /nfs/dbraw/zinc/55/89/22/463558922.db2.gz SOXLIATWLNCMSP-UHFFFAOYSA-N -1 2 326.396 2.364 20 0 EEADLM C[C@@H](C1CC1)n1cc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cn1 ZINC000187748928 464158494 /nfs/dbraw/zinc/15/84/94/464158494.db2.gz OXXLBASGHCLIJZ-QMMMGPOBSA-N -1 2 341.414 2.415 20 0 EEADLM CO[C@@H](C)CS(=O)(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000282214627 464738180 /nfs/dbraw/zinc/73/81/80/464738180.db2.gz NEGMLNSKNSJIQA-ZDUSSCGKSA-N -1 2 347.440 2.378 20 0 EEADLM COc1ccc(NS(=O)(=O)c2sc(C)nc2C)c(C(=O)[O-])c1 ZINC000349073183 465951132 /nfs/dbraw/zinc/95/11/32/465951132.db2.gz GRHPIKJKAUETBR-UHFFFAOYSA-N -1 2 342.398 2.268 20 0 EEADLM Cc1ncc(S(=O)(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)s1 ZINC000362125042 466573403 /nfs/dbraw/zinc/57/34/03/466573403.db2.gz NEEFSQSODHNTNH-UHFFFAOYSA-N -1 2 337.382 2.432 20 0 EEADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3c[nH]nc3c2)c(F)c1 ZINC000321259508 466620078 /nfs/dbraw/zinc/62/00/78/466620078.db2.gz YKKAIXGRTZSHPN-UHFFFAOYSA-N -1 2 335.316 2.201 20 0 EEADLM CCOc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1 ZINC000433530319 467337878 /nfs/dbraw/zinc/33/78/78/467337878.db2.gz NVFVJYMZONVETN-UHFFFAOYSA-N -1 2 337.353 2.290 20 0 EEADLM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2cccc3n[nH]cc32)c1 ZINC000620889347 469939943 /nfs/dbraw/zinc/93/99/43/469939943.db2.gz JIILZHCCSFRVOQ-UHFFFAOYSA-N -1 2 347.352 2.076 20 0 EEADLM CO[C@@H](C)c1nc(=NC(=O)c2cc(SC)ccc2O)s[n-]1 ZINC000622019319 470149377 /nfs/dbraw/zinc/14/93/77/470149377.db2.gz SNMGQFIBOPHSFF-ZETCQYMHSA-N -1 2 325.415 2.347 20 0 EEADLM Cc1nn(C)c(C)c1-c1cc(=O)n(-c2ccc(C(=O)[O-])c(F)c2)[nH]1 ZINC000634632213 470271833 /nfs/dbraw/zinc/27/18/33/470271833.db2.gz LWCXWJJNVFQKJV-UHFFFAOYSA-N -1 2 330.319 2.015 20 0 EEADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc(O)c2)c1F ZINC000762462545 577701489 /nfs/dbraw/zinc/70/14/89/577701489.db2.gz JURXNDPOVSRETC-UHFFFAOYSA-N -1 2 325.317 2.339 20 0 EEADLM C[C@H](NC(=O)C(F)(F)C(F)F)C1([NH+]2CCOCC2)CCCC1 ZINC000754322314 577804506 /nfs/dbraw/zinc/80/45/06/577804506.db2.gz WMEPASPTPSLIAC-JTQLQIEISA-N -1 2 326.334 2.037 20 0 EEADLM Cc1ccc(O)c(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c1 ZINC000756935779 577853468 /nfs/dbraw/zinc/85/34/68/577853468.db2.gz DPUKBLDAXMVAAU-UHFFFAOYSA-N -1 2 343.307 2.478 20 0 EEADLM Cc1nc(C[N@@H+](C)CC2CCN(C(=O)c3ncccc3O)CC2)co1 ZINC001029959550 688697006 /nfs/dbraw/zinc/69/70/06/688697006.db2.gz UHVQCYGRHNDPIW-UHFFFAOYSA-N -1 2 344.415 2.068 20 0 EEADLM Cc1nc(C[N@H+]2CCC[C@@H]2CNC(=O)c2ccccc2O)c(C)o1 ZINC001027761743 694389890 /nfs/dbraw/zinc/38/98/90/694389890.db2.gz QWKROSJKTDWJGE-CQSZACIVSA-N -1 2 329.400 2.391 20 0 EEADLM C[C@@H]1CC[N@H+](Cc2cncs2)C[C@H]1NC(=O)c1ccccc1O ZINC000965272700 1218999003 /nfs/dbraw/zinc/99/90/03/1218999003.db2.gz XRGVBMFPEJHULE-IUODEOHRSA-N -1 2 331.441 2.489 20 0 EEADLM COC[C@H]1C[N@H+](Cc2nc(C)ccc2O)Cc2nn(CC3CC3)cc21 ZINC001231671378 1303889905 /nfs/dbraw/zinc/88/99/05/1303889905.db2.gz UOMJLJYTQLBLOB-OAHLLOKOSA-N -1 2 342.443 2.448 20 0 EEADLM O=C([O-])c1ccc(S(=O)(=O)Nc2nccc3cnccc32)cc1 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Cc1nn(C)c(NS(=O)(=O)c2cc(Cl)ccc2C)c1C(=O)[O-] ZINC001607788034 1351559026 /nfs/dbraw/zinc/55/90/26/1351559026.db2.gz DWMQJFWPYSCKOE-UHFFFAOYSA-N -1 2 343.792 2.189 20 0 EEADLM O=C([O-])c1cc(S(=O)(=O)NCC(F)(F)F)c(F)cc1Cl ZINC000202358364 1404900313 /nfs/dbraw/zinc/90/03/13/1404900313.db2.gz ZKYVFXLHSUHCOH-UHFFFAOYSA-N -1 2 335.662 2.018 20 0 EEADLM Cc1ccc(S(=O)(=O)Nc2ccnn2CC2CCC2)cc1C(=O)[O-] ZINC001184670869 802104730 /nfs/dbraw/zinc/10/47/30/802104730.db2.gz WSWIHJCSUDMVFP-UHFFFAOYSA-N -1 2 349.412 2.491 20 0 EEADLM Cc1ccc(S(=O)(=O)Nc2nnc(-c3ccco3)o2)cc1C(=O)[O-] ZINC001184660020 802122177 /nfs/dbraw/zinc/12/21/77/802122177.db2.gz RYAHXBWORWDCQF-UHFFFAOYSA-N -1 2 349.324 2.137 20 0 EEADLM CCCc1cc(NS(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)[nH]n1 ZINC000325846090 971248313 /nfs/dbraw/zinc/24/83/13/971248313.db2.gz XIAOAQWDBKOSEU-UHFFFAOYSA-N -1 2 349.412 2.279 20 0 EEADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccnc(Cl)c2)c1 ZINC000149059795 959016039 /nfs/dbraw/zinc/01/60/39/959016039.db2.gz 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Cc1noc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000749141550 577971718 /nfs/dbraw/zinc/97/17/18/577971718.db2.gz INNSHKHJVLDXCO-UHFFFAOYSA-N -1 2 328.321 2.238 20 0 EEADLM O=C([O-])c1ccc(S(=O)(=O)Nc2nc3ccsc3s2)o1 ZINC000740186334 578084611 /nfs/dbraw/zinc/08/46/11/578084611.db2.gz KARGSIXNEBFUOM-UHFFFAOYSA-N -1 2 330.368 2.450 20 0 EEADLM O=C([O-])c1ccnc(NS(=O)(=O)c2ccccc2OC(F)F)c1 ZINC000740248577 578087405 /nfs/dbraw/zinc/08/74/05/578087405.db2.gz FDNCFPHWAKVTLA-UHFFFAOYSA-N -1 2 344.295 2.182 20 0 EEADLM Cc1ccc(S(=O)(=O)Nc2cnn(C)c2C(F)F)c(C(=O)[O-])c1 ZINC000833751438 604748295 /nfs/dbraw/zinc/74/82/95/604748295.db2.gz YLRNWSVXYXJKIK-UHFFFAOYSA-N -1 2 345.327 2.165 20 0 EEADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1noc(C(C)(C)C)n1 ZINC000833747905 605586191 /nfs/dbraw/zinc/58/61/91/605586191.db2.gz NTSXAJPICAUWAG-UHFFFAOYSA-N -1 2 339.373 2.175 20 0 EEADLM Cc1nnc([C@@H](C)[NH2+]C[C@H]2CCCCN2C(=O)c2ccccc2O)o1 ZINC001024875828 681519945 /nfs/dbraw/zinc/51/99/45/681519945.db2.gz 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ZINC001610392364 1352215404 /nfs/dbraw/zinc/21/54/04/1352215404.db2.gz BYVTXYKXVHTRBW-HTRCEHHLSA-N -1 2 346.152 2.087 20 0 EEADLM CC(C)n1cc(S(=O)(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)cn1 ZINC001603221459 1350664492 /nfs/dbraw/zinc/66/44/92/1350664492.db2.gz MEQWPHOZVWUJFW-NSHDSACASA-N -1 2 337.401 2.453 20 0 EEADLM CC(C)n1cc(S(=O)(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)cn1 ZINC001604035702 1350835455 /nfs/dbraw/zinc/83/54/55/1350835455.db2.gz GLXHLNHPEDCNIU-UHFFFAOYSA-N -1 2 348.384 2.444 20 0 EEADLM Cc1csc(NS(=O)(=O)c2ccc3c(c2)OCO3)c1C(=O)[O-] ZINC001607934401 1351588889 /nfs/dbraw/zinc/58/88/89/1351588889.db2.gz XIXVKOLXNAURGR-UHFFFAOYSA-N -1 2 341.366 2.284 20 0 EEADLM C[C@@H](CC(=O)[O-])NC(=O)c1cc(Cl)cc(Br)c1O ZINC001589001597 955329026 /nfs/dbraw/zinc/32/90/26/955329026.db2.gz OMJKHZWWOUWXED-YFKPBYRVSA-N -1 2 336.569 2.401 20 0 EEADLM C[C@]1(C(=O)[O-])CCN(C(=O)c2cc(Br)c(F)cc2O)C1 ZINC001589193732 956607106 /nfs/dbraw/zinc/60/71/06/956607106.db2.gz SRDTXGQVKGHYKY-ZDUSSCGKSA-N -1 2 346.152 2.231 20 0 EEADLM CC(C)(NS(=O)(=O)Cc1cccc(C(=O)[O-])c1)C(F)(F)F ZINC000393868009 972652920 /nfs/dbraw/zinc/65/29/20/972652920.db2.gz KHJICKWHNYXTFN-UHFFFAOYSA-N -1 2 325.308 2.145 20 0 EEADLM CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=O)[C@H](CC)C(=O)[O-] ZINC001595891517 982927768 /nfs/dbraw/zinc/92/77/68/982927768.db2.gz VYRTUHYOFMVEJN-VIFPVBQESA-N -1 2 337.401 2.246 20 0 EEADLM Cc1[nH]c(C(=O)[O-])cc1C(=O)CS(=O)(=O)[C@H]1CCc2ccccc21 ZINC001599961644 985792615 /nfs/dbraw/zinc/79/26/15/985792615.db2.gz WDHSYSIQDXURDP-INIZCTEOSA-N -1 2 347.392 2.306 20 0 EEADLM CCc1cnc(NS(=O)(=O)c2cccc3c2ccnc3C(=O)[O-])o1 ZINC001597632040 988601018 /nfs/dbraw/zinc/60/10/18/988601018.db2.gz MFOYHAUEZSCWGU-UHFFFAOYSA-N -1 2 347.352 2.284 20 0 EEADLM CC(C)C[C@@H](CNC(=O)N=c1nc(C(C)(C)C)[nH]s1)C(=O)[O-] ZINC000424375599 240917465 /nfs/dbraw/zinc/91/74/65/240917465.db2.gz AITXTCVLOCUWAJ-VIFPVBQESA-N -1 2 328.438 2.126 20 0 EEADLM C[C@H](c1ccccc1)[N@H+](CC(N)=O)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459386522 245101524 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CC(C)(C)CC[C@@H](NC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1)C(=O)[O-] ZINC000647247595 470866400 /nfs/dbraw/zinc/86/64/00/470866400.db2.gz UAXXNBFYYJWOTO-GFCCVEGCSA-N -1 2 347.371 2.039 20 0 EEADLM CCc1ccccc1N1CC(=O)C(C(=O)N(CC)[C@H](C)C(=O)[O-])=N1 ZINC000659769268 471736132 /nfs/dbraw/zinc/73/61/32/471736132.db2.gz CCQWYVXKSHCQGM-LLVKDONJSA-N -1 2 331.372 2.076 20 0 EEADLM Cc1cc(F)ccc1N1CC(=O)C(C(=O)NCC2(C(=O)[O-])CCC2)=N1 ZINC000659784695 471741621 /nfs/dbraw/zinc/74/16/21/471741621.db2.gz KKXOHNPCBXQMQD-UHFFFAOYSA-N -1 2 347.346 2.010 20 0 EEADLM Cc1cc(NC(=O)[C@@H](C)[N@@H+]2Cc3cnn(C)c3CC(C)(C)C2)on1 ZINC000664873481 471885251 /nfs/dbraw/zinc/88/52/51/471885251.db2.gz FFSYKUFLXFFLPT-GFCCVEGCSA-N -1 2 331.420 2.128 20 0 EEADLM O=C([O-])c1cccc(CNC(=O)C2=NN(c3ccccc3)CC2=O)c1 ZINC000678931481 485544117 /nfs/dbraw/zinc/54/41/17/485544117.db2.gz GDNMXAAIFWMHIW-UHFFFAOYSA-N -1 2 337.335 2.206 20 0 EEADLM O=C([O-])Nc1cccc(C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)c1 ZINC000740032499 578078092 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