smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@@H]1CCCC[C@@H]1Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227570432 805952504 /nfs/dbraw/zinc/95/25/04/805952504.db2.gz KHSGAJHECZTNMV-BDAKNGLRSA-N -2 3 253.302 2.021 20 0 CEADHL C[C@@H](OCCCCP(=O)([O-])[O-])c1ccncc1F ZINC001225018927 807114037 /nfs/dbraw/zinc/11/40/37/807114037.db2.gz LTVZIHZCCJHLHI-SECBINFHSA-N -2 3 277.232 2.256 20 0 CEADHL O=C([O-])/C=C/c1ccccc1NCc1ncccc1[O-] ZINC001169733522 811651496 /nfs/dbraw/zinc/65/14/96/811651496.db2.gz XWNNDCOGDKOVEC-BQYQJAHWSA-N -2 3 270.288 2.497 20 0 CEADHL O=S(=O)([O-])c1ccc(-c2c([O-])cccc2F)cc1 ZINC001245653314 813483438 /nfs/dbraw/zinc/48/34/38/813483438.db2.gz CDQUDAWRUVKYDJ-UHFFFAOYSA-N -2 3 268.265 2.445 20 0 CEADHL Cc1nc(Nc2ccc(C=CC(=O)[O-])cc2)cc(=O)[n-]1 ZINC001176591466 816437966 /nfs/dbraw/zinc/43/79/66/816437966.db2.gz JLOFIWRMMQINLC-QPJJXVBHSA-N -2 3 271.276 2.332 20 0 CEADHL CCC[C@](C)(NC(=O)c1ccc(C)cc1[O-])C(=O)[O-] ZINC000036337724 361842711 /nfs/dbraw/zinc/84/27/11/361842711.db2.gz ONNYSFVRFNWZAJ-AWEZNQCLSA-N -2 3 265.309 2.074 20 0 CEADHL CCCC[C@@H](C(=O)N=c1ccc([O-])n[n-]1)C(C)C ZINC000622847250 349893623 /nfs/dbraw/zinc/89/36/23/349893623.db2.gz NOXQHKCRMJKIDL-SNVBAGLBSA-N -2 3 251.330 2.005 20 0 CEADHL O=C(NCc1ccc([O-])c(F)c1)c1c([O-])cc(F)cc1F ZINC000132897530 344365922 /nfs/dbraw/zinc/36/59/22/344365922.db2.gz NMEJLKKRQNLLOH-UHFFFAOYSA-N -2 3 297.232 2.445 20 0 CEADHL O=S(=O)(CCC1CC1)[N-]c1ccc(F)cc1[O-] ZINC000271240020 191022054 /nfs/dbraw/zinc/02/20/54/191022054.db2.gz CZTQSKUKSTUIHK-UHFFFAOYSA-N -2 3 259.302 2.073 20 0 CEADHL O=C([O-])c1cccc([N-]S(=O)(=O)C2=CCCCC2)c1O ZINC000295191367 199396656 /nfs/dbraw/zinc/39/66/56/199396656.db2.gz LBQZGCCZXWMEHR-UHFFFAOYSA-N -2 3 297.332 2.290 20 0 CEADHL Cc1ccc(C(=O)N2CCCCC[C@@H]2C(=O)[O-])c([O-])c1 ZINC000080987448 363693056 /nfs/dbraw/zinc/69/30/56/363693056.db2.gz HXIHVSBCHJWZDT-GFCCVEGCSA-N -2 3 277.320 2.170 20 0 CEADHL CC(C)c1cc(C(=O)Nc2nnn[n-]2)c([O-])c(C(C)C)c1 ZINC000094155579 364253929 /nfs/dbraw/zinc/25/39/29/364253929.db2.gz YEBLGEXFTYBEHY-UHFFFAOYSA-N -2 3 289.339 2.404 20 0 CEADHL CC[C@@H](CS(=O)(=O)[N-]c1c([O-])cccc1Cl)OC ZINC000641687164 372631891 /nfs/dbraw/zinc/63/18/91/372631891.db2.gz JELSINIQZNSSBM-QMMMGPOBSA-N -2 3 293.772 2.212 20 0 CEADHL CCCC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000564923267 377506533 /nfs/dbraw/zinc/50/65/33/377506533.db2.gz NNVXQPKIIZFBNQ-UHFFFAOYSA-N -2 3 289.353 2.143 20 0 CEADHL Cc1nc(C=Cc2ccccc2F)[n-]c(=O)c1CC(=O)[O-] ZINC000347415346 218227144 /nfs/dbraw/zinc/22/71/44/218227144.db2.gz HMCQMBNRZMVKJD-SREVYHEPSA-N -2 3 288.278 2.427 20 0 CEADHL O=C(Nc1ccc2c(=O)cc[nH]c2c1)c1c([O-])cccc1[O-] ZINC000436601688 395131993 /nfs/dbraw/zinc/13/19/93/395131993.db2.gz CVYHIHBDSQLEHL-UHFFFAOYSA-N -2 3 296.282 2.192 20 0 CEADHL CC(C)=CCC[C@H](C)CC(=O)N=c1ccc([O-])n[n-]1 ZINC000563180989 298747345 /nfs/dbraw/zinc/74/73/45/298747345.db2.gz XTAJBBVCLSXPLH-NSHDSACASA-N -2 3 263.341 2.315 20 0 CEADHL O=C([O-])C1(C(=O)Nc2ccc(Cl)cc2[O-])CCC1 ZINC000663040880 414840523 /nfs/dbraw/zinc/84/05/23/414840523.db2.gz SWLLMOKCZPBLOZ-UHFFFAOYSA-N -2 3 269.684 2.239 20 0 CEADHL CSc1ccc([O-])c(C(=O)NCCCCCC(=O)[O-])c1 ZINC000659762734 415670076 /nfs/dbraw/zinc/67/00/76/415670076.db2.gz QHHSHEFYESUJBS-UHFFFAOYSA-N -2 3 297.376 2.489 20 0 CEADHL CC(C)c1nocc1C(=O)[N-]c1n[n-]c(C(F)(F)F)n1 ZINC000530262469 298060326 /nfs/dbraw/zinc/06/03/26/298060326.db2.gz RFBFTIPKUHXXBQ-UHFFFAOYSA-N -2 3 289.217 2.187 20 0 CEADHL COc1ccc(NC(=O)c2cc(F)ccc2[O-])c([O-])c1 ZINC000443560702 538840451 /nfs/dbraw/zinc/84/04/51/538840451.db2.gz RLTCHPDYNRDNQT-UHFFFAOYSA-N -2 3 277.251 2.498 20 0 CEADHL CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)Nc1ccccc1[O-] ZINC000739235668 574419391 /nfs/dbraw/zinc/41/93/91/574419391.db2.gz MJLAWVUPQONWIC-LDYMZIIASA-N -2 3 266.297 2.013 20 0 CEADHL C[C@H](NC(=O)[O-])[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC000739013583 574889372 /nfs/dbraw/zinc/88/93/72/574889372.db2.gz XZRWPHXUFPDAAT-JQWIXIFHSA-N -2 3 292.335 2.043 20 0 CEADHL O=C([O-])c1cccc(-c2nc(-c3ccc([O-])cc3)no2)n1 ZINC000740212086 574948262 /nfs/dbraw/zinc/94/82/62/574948262.db2.gz ANRZOIGBCBAIRU-UHFFFAOYSA-N -2 3 283.243 2.202 20 0 CEADHL CC(C)c1ccc(C(=O)N2C[C@H](C(=O)[O-])[C@H](C)C2)c([O-])c1 ZINC000827113265 601800810 /nfs/dbraw/zinc/80/08/10/601800810.db2.gz ZUDHKGKIIDJRGK-MFKMUULPSA-N -2 3 291.347 2.308 20 0 CEADHL C/C(=C\COC(=O)c1cccc(Cl)c1[O-])C(=O)[O-] ZINC000833381305 605275901 /nfs/dbraw/zinc/27/59/01/605275901.db2.gz AVOMVSIVZBJFHH-FNORWQNLSA-N -2 3 270.668 2.233 20 0 CEADHL C[C@@H]1CCN(C(=O)c2cc([O-])ccc2Cl)[C@H](C(=O)[O-])C1 ZINC000235353296 625332152 /nfs/dbraw/zinc/33/21/52/625332152.db2.gz KYPKSZIKVMYXOG-PELKAZGASA-N -2 3 297.738 2.371 20 0 CEADHL C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000235431922 625531746 /nfs/dbraw/zinc/53/17/46/625531746.db2.gz NXYSLYYOIFEYEH-SMDDNHRTSA-N -2 3 297.738 2.419 20 0 CEADHL C[C@@H](CNC(=O)c1cc([O-])c2ccccc2c1)CC(=O)[O-] ZINC000909486340 629986423 /nfs/dbraw/zinc/98/64/23/629986423.db2.gz FSCBGGVMKVJLCD-SNVBAGLBSA-N -2 3 287.315 2.386 20 0 CEADHL O=C([O-])c1coc(S(=O)(=O)[N-]CC2CCC=CCC2)c1 ZINC000903521099 635159561 /nfs/dbraw/zinc/15/95/61/635159561.db2.gz HVYKTWOIBIQCNP-UHFFFAOYSA-N -2 3 299.348 2.003 20 0 CEADHL CCCO[N-]C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000831428085 637327272 /nfs/dbraw/zinc/32/72/72/637327272.db2.gz YUSLZQVGGCVBPB-UHFFFAOYSA-N -2 3 258.347 2.299 20 0 CEADHL CN(CCCC(=O)[O-])C(=O)CCCc1ccc([O-])c(F)c1 ZINC000908634577 637431585 /nfs/dbraw/zinc/43/15/85/637431585.db2.gz OIVWZLJKARERLD-UHFFFAOYSA-N -2 3 297.326 2.177 20 0 CEADHL Cc1cccc2c1CC[C@@H]2OCCP(=O)([O-])[O-] ZINC001224608030 806865393 /nfs/dbraw/zinc/86/53/93/806865393.db2.gz XYWSCQGWIWGSAO-LBPRGKRZSA-N -2 3 256.238 2.177 20 0 CEADHL NC(=O)c1ccc(Nc2c(F)cc(F)c([O-])c2F)cc1[O-] ZINC001176674250 816454138 /nfs/dbraw/zinc/45/41/38/816454138.db2.gz SWGTVEZCGFCONM-UHFFFAOYSA-N -2 3 298.220 2.358 20 0 CEADHL CC(C)CC[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000036133387 361830224 /nfs/dbraw/zinc/83/02/24/361830224.db2.gz LSIMYFGFKUGFPE-SECBINFHSA-N -2 3 289.353 2.081 20 0 CEADHL O=S(=O)([N-]c1cc(Br)ccc1[O-])C1CC1 ZINC000087049254 179388885 /nfs/dbraw/zinc/38/88/85/179388885.db2.gz JBFIBVDTVQMOOO-UHFFFAOYSA-N -2 3 292.154 2.059 20 0 CEADHL Cc1cccc([O-])c1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000176578611 189000739 /nfs/dbraw/zinc/00/07/39/189000739.db2.gz ADPFXQDEUNEAMP-LLVKDONJSA-N -2 3 285.365 2.011 20 0 CEADHL O=C(NCc1ccc([O-])c(F)c1)c1c([O-])cccc1F ZINC000184989298 368734140 /nfs/dbraw/zinc/73/41/40/368734140.db2.gz PVSDCEDBCUVYHI-UHFFFAOYSA-N -2 3 279.242 2.306 20 0 CEADHL Cc1ccc(-c2nc([N-]C(=O)c3cc(C4CC4)no3)n[n-]2)o1 ZINC000282088150 375401294 /nfs/dbraw/zinc/40/12/94/375401294.db2.gz RRMIBEVLFHQCNO-UHFFFAOYSA-N -2 3 299.290 2.491 20 0 CEADHL Cc1nc(C=Cc2ccccc2)[n-]c(=O)c1CC(=O)[O-] ZINC000347426967 218229814 /nfs/dbraw/zinc/22/98/14/218229814.db2.gz ZCTYDHKMLXOXQS-BQYQJAHWSA-N -2 3 270.288 2.288 20 0 CEADHL O=C([N-]OC1CCCC1)c1c(F)ccc([O-])c1F ZINC000289435000 197345652 /nfs/dbraw/zinc/34/56/52/197345652.db2.gz LHNHGZJRAFSPJM-UHFFFAOYSA-N -2 3 257.236 2.274 20 0 CEADHL CC[C@@H](C)n1[nH]c(=NC(=O)c2ccc([O-])cc2[O-])cc1C ZINC000436735484 395150841 /nfs/dbraw/zinc/15/08/41/395150841.db2.gz GHBGVKNMGSUZEQ-SECBINFHSA-N -2 3 289.335 2.248 20 0 CEADHL Cc1ccc([O-])c(NC(=O)c2ccc(F)cc2[O-])n1 ZINC000436842766 395158738 /nfs/dbraw/zinc/15/87/38/395158738.db2.gz FOYNUFNXLSDNCL-UHFFFAOYSA-N -2 3 262.240 2.193 20 0 CEADHL O=C([O-])CCC(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000455805277 395632045 /nfs/dbraw/zinc/63/20/45/395632045.db2.gz WXTGXOOGSRQENZ-UHFFFAOYSA-N -2 3 277.198 2.214 20 0 CEADHL O=C(Nc1cc(F)ccc1[O-])c1ccc2oc(=O)nc-2[n-]1 ZINC000646897560 396388507 /nfs/dbraw/zinc/38/85/07/396388507.db2.gz XUABMHJSSMJSFR-UHFFFAOYSA-N -2 3 289.222 2.025 20 0 CEADHL Cc1[n-]c(=O)nc(S[C@H]2CCC[C@H](C)C2)c1C(=O)[O-] ZINC000071144660 176041327 /nfs/dbraw/zinc/04/13/27/176041327.db2.gz WSMPZFJLFQNKNN-CBAPKCEASA-N -2 3 282.365 2.447 20 0 CEADHL CO[C@H](CS(=O)(=O)[N-]c1ccccc1[O-])C1CCCC1 ZINC000656612858 415786344 /nfs/dbraw/zinc/78/63/44/415786344.db2.gz CNMKPJKKNXPBRS-CQSZACIVSA-N -2 3 299.392 2.339 20 0 CEADHL Cc1cccc(C(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])c1[O-] ZINC000235405897 280221445 /nfs/dbraw/zinc/22/14/45/280221445.db2.gz CDWHUWRLAFKNOU-BXKDBHETSA-N -2 3 277.320 2.026 20 0 CEADHL Cc1ccc(C(=O)Nc2nc(C)ccc2[O-])c([O-])c1 ZINC000436846439 281407603 /nfs/dbraw/zinc/40/76/03/281407603.db2.gz XBGJQFVFZYUWGV-UHFFFAOYSA-N -2 3 258.277 2.362 20 0 CEADHL O=C([O-])c1coc(S(=O)(=O)[N-]CC[C@H]2CC=CCC2)c1 ZINC000530151734 298038105 /nfs/dbraw/zinc/03/81/05/298038105.db2.gz PLHISOCDKOWNMP-JTQLQIEISA-N -2 3 299.348 2.003 20 0 CEADHL Cc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C(=O)[O-])c([O-])c1 ZINC000124984036 301514626 /nfs/dbraw/zinc/51/46/26/301514626.db2.gz GSHUZDCSXDFJGO-PWSUYJOCSA-N -2 3 277.320 2.026 20 0 CEADHL CCc1ccc(C(=O)N=c2cc3ccccn3[n-]2)c([O-])c1 ZINC000553332132 313619475 /nfs/dbraw/zinc/61/94/75/313619475.db2.gz MVWZDTZQUQMBTG-UHFFFAOYSA-N -2 3 281.315 2.277 20 0 CEADHL C[C@@H](CC(=O)[O-])C(=O)Nc1cc(Cl)ccc1[O-] ZINC000827312079 602297128 /nfs/dbraw/zinc/29/71/28/602297128.db2.gz ZOKCPJIVDYRAPZ-LURJTMIESA-N -2 3 257.673 2.095 20 0 CEADHL Cc1cc(=O)[n-]c(CN2C[C@@H](CC(=O)[O-])c3ccccc32)n1 ZINC000832899142 602314384 /nfs/dbraw/zinc/31/43/84/602314384.db2.gz HRSKHJHVAKSKKW-LLVKDONJSA-N -2 3 299.330 2.069 20 0 CEADHL CC[C@@H](NC(=O)c1ccc(C(C)C)cc1[O-])C(=O)[O-] ZINC000833643382 604722674 /nfs/dbraw/zinc/72/26/74/604722674.db2.gz VJQVJHFRYAJBLU-LLVKDONJSA-N -2 3 265.309 2.109 20 0 CEADHL O=C([O-])N1CCCC[C@H]1C(=O)Nc1cccc([O-])c1F ZINC000834054600 605715500 /nfs/dbraw/zinc/71/55/00/605715500.db2.gz VFHWMMSDPBOYOQ-VIFPVBQESA-N -2 3 282.271 2.002 20 0 CEADHL O=C([O-])[C@H]1CCN(C(=O)c2cc([O-])c3ccccc3c2)C1 ZINC000909422171 629826596 /nfs/dbraw/zinc/82/65/96/629826596.db2.gz PCFWAXKSLSOIPV-NSHDSACASA-N -2 3 285.299 2.092 20 0 CEADHL C[C@@H](CCC(=O)[O-])NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000909448148 629916804 /nfs/dbraw/zinc/91/68/04/629916804.db2.gz FHNUPKHTXCLGHT-JTQLQIEISA-N -2 3 297.326 2.224 20 0 CEADHL O=C([N-]OC1CCCCC1)c1cnc(C2CC2)[n-]c1=O ZINC000907544506 637046112 /nfs/dbraw/zinc/04/61/12/637046112.db2.gz SGHJYCRYMWIQIH-UHFFFAOYSA-N -2 3 277.324 2.054 20 0 CEADHL C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000909804856 637731803 /nfs/dbraw/zinc/73/18/03/637731803.db2.gz HVZFYXMGVUPMIN-GWCFXTLKSA-N -2 3 299.326 2.481 20 0 CEADHL O=P([O-])([O-])CCCCO[C@H]1CCc2cccnc21 ZINC001225018534 807112936 /nfs/dbraw/zinc/11/29/36/807112936.db2.gz ACRZUNDQZYDDHX-NSHDSACASA-N -2 3 271.253 2.043 20 0 CEADHL O=c1[n-]c(-c2ccc3c(c2)OCCO3)nc2ccc([O-])cc12 ZINC000436905490 539303518 /nfs/dbraw/zinc/30/35/18/539303518.db2.gz AEMDLMYVOGGUDY-UHFFFAOYSA-N -2 3 296.282 2.479 20 0 CEADHL Cc1cccc(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)c1[O-] ZINC000054294302 362523203 /nfs/dbraw/zinc/52/32/03/362523203.db2.gz CHCZRGDODCCPMF-NSHDSACASA-N -2 3 277.320 2.028 20 0 CEADHL CC(C)(CC(=O)[O-])CC(=O)[N-]OCc1ccccc1 ZINC000086435765 179292758 /nfs/dbraw/zinc/29/27/58/179292758.db2.gz WSODISXIMURRLI-UHFFFAOYSA-N -2 3 265.309 2.125 20 0 CEADHL O=C([O-])c1cnc(C=Cc2ccc(F)cc2)[n-]c1=O ZINC000670370082 540362312 /nfs/dbraw/zinc/36/23/12/540362312.db2.gz WAOWIULBAKDAJN-ZZXKWVIFSA-N -2 3 260.224 2.190 20 0 CEADHL O=C([O-])c1ccccc1OCc1nc2cccnc2c(=O)[n-]1 ZINC000491800339 541113630 /nfs/dbraw/zinc/11/36/30/541113630.db2.gz APGAHUZKXMLWCT-UHFFFAOYSA-N -2 3 297.270 2.008 20 0 CEADHL O=C(N=c1ccc([O-])n[n-]1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000572700048 299390275 /nfs/dbraw/zinc/39/02/75/299390275.db2.gz XKRXOQLPRPAKGE-QWHCGFSZSA-N -2 3 283.331 2.127 20 0 CEADHL O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccccc1[O-] ZINC000636317913 369594348 /nfs/dbraw/zinc/59/43/48/369594348.db2.gz LIVHCWYSCWVGPV-UHFFFAOYSA-N -2 3 299.330 2.085 20 0 CEADHL CSc1nc([N-]C(=O)c2cc(-c3ccco3)on2)n[n-]1 ZINC000354135319 370228819 /nfs/dbraw/zinc/22/88/19/370228819.db2.gz DOGSSHQOAIWQSD-UHFFFAOYSA-N -2 3 291.292 2.027 20 0 CEADHL CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1c(C)cccc1[O-] ZINC000641684760 372630126 /nfs/dbraw/zinc/63/01/26/372630126.db2.gz XTZFSTOVYACQJQ-QWHCGFSZSA-N -2 3 299.392 2.400 20 0 CEADHL O=C([O-])c1cccc([N-]S(=O)(=O)CC2CCCC2)c1O ZINC000274914748 374094186 /nfs/dbraw/zinc/09/41/86/374094186.db2.gz LMNZBCZJMRIKQP-UHFFFAOYSA-N -2 3 299.348 2.022 20 0 CEADHL Cc1ccc(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)c([O-])c1 ZINC000385723117 542369106 /nfs/dbraw/zinc/36/91/06/542369106.db2.gz ACQSDTLLWNTKLU-KRWDZBQOSA-N -2 3 299.326 2.430 20 0 CEADHL CSCCO[N-]C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000281215172 195152949 /nfs/dbraw/zinc/15/29/49/195152949.db2.gz BWSWIGSZAIYQJS-UHFFFAOYSA-N -2 3 290.414 2.252 20 0 CEADHL CCCc1n[n-]c(=NCc2c(F)ccc([O-])c2F)o1 ZINC000438929090 395238627 /nfs/dbraw/zinc/23/86/27/395238627.db2.gz IROJDXJPPQCDTD-UHFFFAOYSA-N -2 3 269.251 2.040 20 0 CEADHL [O-]c1ccc(F)c(CN=c2[n-]nc(-c3ccco3)o2)c1F ZINC000438937177 395240138 /nfs/dbraw/zinc/24/01/38/395240138.db2.gz ZWORIPQVYXWKLC-UHFFFAOYSA-N -2 3 293.229 2.347 20 0 CEADHL Cc1cccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)c1[O-] ZINC000263508313 154105698 /nfs/dbraw/zinc/10/56/98/154105698.db2.gz MQNBNVXKASODMC-GHMZBOCLSA-N -2 3 277.320 2.026 20 0 CEADHL CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1ccc(Cl)cc1[O-] ZINC000663040864 414839829 /nfs/dbraw/zinc/83/98/29/414839829.db2.gz SIWJCXLXFQJFAJ-CYBMUJFWSA-N -2 3 283.711 2.485 20 0 CEADHL O=C([O-])[C@H](C(=O)Nc1cc(F)ccc1[O-])C1CCCC1 ZINC000663061171 414846157 /nfs/dbraw/zinc/84/61/57/414846157.db2.gz QRXQOVQVPOIOQH-LBPRGKRZSA-N -2 3 281.283 2.361 20 0 CEADHL O=C([O-])[C@@H](C(=O)Nc1ccccc1[O-])C1CCCC1 ZINC000663114336 414861808 /nfs/dbraw/zinc/86/18/08/414861808.db2.gz FGWGTTVHMGMKAE-GFCCVEGCSA-N -2 3 263.293 2.222 20 0 CEADHL Cc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1 ZINC000045949140 175388441 /nfs/dbraw/zinc/38/84/41/175388441.db2.gz IYFXXIQASKOIMO-UHFFFAOYSA-N -2 3 291.328 2.494 20 0 CEADHL O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1cccc([O-])c1 ZINC000356016526 228087554 /nfs/dbraw/zinc/08/75/54/228087554.db2.gz SEONAIBYQLVBMD-UHFFFAOYSA-N -2 3 296.286 2.135 20 0 CEADHL Cc1oc(CNC(=O)c2ccc(C)cc2[O-])cc1C(=O)[O-] ZINC000038059748 270225655 /nfs/dbraw/zinc/22/56/55/270225655.db2.gz YBKQLXAZVDJCKA-UHFFFAOYSA-N -2 3 289.287 2.230 20 0 CEADHL Cc1cc(Cl)cc(NC(=O)[C@H]2C[C@H]2C(=O)[O-])c1[O-] ZINC000738399625 574860886 /nfs/dbraw/zinc/86/08/86/574860886.db2.gz QYGJTNQVXDAKEK-JGVFFNPUSA-N -2 3 269.684 2.013 20 0 CEADHL O=C([O-])N1CC[C@H](OC(=O)c2cc3ccsc3[n-]2)C1 ZINC000740723346 574966612 /nfs/dbraw/zinc/96/66/12/574966612.db2.gz YQXSJIRDIZTROM-QMMMGPOBSA-N -2 3 280.305 2.139 20 0 CEADHL CCc1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1[O-] ZINC000820485942 598149017 /nfs/dbraw/zinc/14/90/17/598149017.db2.gz WJEFJNITCACSMQ-GFCCVEGCSA-N -2 3 277.320 2.034 20 0 CEADHL O=C([O-])[C@@H]1CCC[C@H](C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000827720181 601388561 /nfs/dbraw/zinc/38/85/61/601388561.db2.gz BKJRSPOCFREZGM-WDEREUQCSA-N -2 3 295.310 2.039 20 0 CEADHL CC(C)c1ccc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c([O-])c1 ZINC000827112737 602053439 /nfs/dbraw/zinc/05/34/39/602053439.db2.gz NRRWNNVNFCUNMA-MRXNPFEDSA-N -2 3 291.347 2.452 20 0 CEADHL O=C([O-])N[C@H]1CC[C@H](C(=O)Nc2cc(Cl)ccc2[O-])C1 ZINC000832286106 603510074 /nfs/dbraw/zinc/51/00/74/603510074.db2.gz HMXWUVSGQUXLBW-CBAPKCEASA-N -2 3 298.726 2.420 20 0 CEADHL CC[C@H](C)[C@H](NC(=O)c1cc([O-])ccc1Cl)C(=O)[O-] ZINC000234003031 622667318 /nfs/dbraw/zinc/66/73/18/622667318.db2.gz CWMYKUHEOVZNHQ-CPCISQLKSA-N -2 3 285.727 2.275 20 0 CEADHL CC[C@@H](CNC(=O)CCCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909869275 637759827 /nfs/dbraw/zinc/75/98/27/637759827.db2.gz PGTONAAVQCTFCU-NSHDSACASA-N -2 3 297.326 2.081 20 0 CEADHL C[C@H](OCCP(=O)([O-])[O-])c1cccc(F)c1F ZINC001224603261 806864506 /nfs/dbraw/zinc/86/45/06/806864506.db2.gz WTDPRPNCGUFEDO-ZETCQYMHSA-N -2 3 266.180 2.220 20 0 CEADHL Cc1cc(C(=O)[O-])ccc1Nc1[nH]c(=O)[n-]c(=O)c1N=O ZINC001211618515 803416233 /nfs/dbraw/zinc/41/62/33/803416233.db2.gz CJIZCDTXWRGHCY-UHFFFAOYSA-N -2 3 290.235 2.036 20 0 CEADHL Cc1cc2cc(NCCOP(=O)([O-])[O-])ccc2cn1 ZINC001168595791 808692818 /nfs/dbraw/zinc/69/28/18/808692818.db2.gz NHTXJPWFOIKLTN-UHFFFAOYSA-N -2 3 282.236 2.064 20 0 CEADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCC2=CCCCC2)o1 ZINC000037464825 343427870 /nfs/dbraw/zinc/42/78/70/343427870.db2.gz YRRONGXVWXFADQ-UHFFFAOYSA-N -2 3 299.348 2.147 20 0 CEADHL Cc1ccc(C(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])c([O-])c1 ZINC000262861900 371915570 /nfs/dbraw/zinc/91/55/70/371915570.db2.gz ZLGWOSPXFVIODY-MLGOLLRUSA-N -2 3 291.347 2.464 20 0 CEADHL CCc1ccc([O-])c([N-]S(=O)(=O)C[C@@H](CC)OC)c1 ZINC000421145855 394488625 /nfs/dbraw/zinc/48/86/25/394488625.db2.gz DLOKOHWFEMTEME-LLVKDONJSA-N -2 3 287.381 2.121 20 0 CEADHL O=c1[n-]c(-c2ccc([O-])cn2)nc2cc(F)c(F)cc12 ZINC000427452914 395113684 /nfs/dbraw/zinc/11/36/84/395113684.db2.gz 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/nfs/dbraw/zinc/79/28/60/170792860.db2.gz CXXDONRJXJXWOW-UHFFFAOYSA-N -2 3 292.316 2.037 20 0 CEADHL CCCCS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000037396286 173176636 /nfs/dbraw/zinc/17/66/36/173176636.db2.gz RTTJPGSGFDYUSV-UHFFFAOYSA-N -2 3 275.301 2.066 20 0 CEADHL Cc1ccc([O-])c(C(=O)N2CCCC[C@@H]2CC(=O)[O-])c1 ZINC000038025960 174011025 /nfs/dbraw/zinc/01/10/25/174011025.db2.gz GMXGEZMBKHOZNA-LLVKDONJSA-N -2 3 277.320 2.170 20 0 CEADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccccc2)c1F ZINC000313013205 414866837 /nfs/dbraw/zinc/86/68/37/414866837.db2.gz OLQSVINCRXQYHL-UHFFFAOYSA-N -2 3 295.291 2.325 20 0 CEADHL Cc1ccc([O-])c(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC000043589661 175073581 /nfs/dbraw/zinc/07/35/81/175073581.db2.gz MTAKUQUCWMUXIV-GFCCVEGCSA-N -2 3 291.347 2.418 20 0 CEADHL O=C(/C=C/c1cncc([O-])c1)Nc1cccc([O-])c1F ZINC000182167665 261784296 /nfs/dbraw/zinc/78/42/96/261784296.db2.gz CJRFBIQGAJAARX-SNAWJCMRSA-N -2 3 274.251 2.284 20 0 CEADHL Cc1ccc([O-])c(C(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])c1 ZINC000235610992 270315085 /nfs/dbraw/zinc/31/50/85/270315085.db2.gz LLSSASXMARNKRN-GWCFXTLKSA-N -2 3 277.320 2.026 20 0 CEADHL CCc1ccc([O-])c([N-]S(=O)(=O)CCOCC2CC2)c1 ZINC000424068519 271010240 /nfs/dbraw/zinc/01/02/40/271010240.db2.gz ZJEULLDYWGHYAW-UHFFFAOYSA-N -2 3 299.392 2.123 20 0 CEADHL O=C([O-])c1cc(/C=C\c2c(F)ccc([O-])c2F)ncn1 ZINC000530528320 298075978 /nfs/dbraw/zinc/07/59/78/298075978.db2.gz BMDZYCKTKQFNEE-UPHRSURJSA-N -2 3 278.214 2.329 20 0 CEADHL CC(C)CN=c1[n-]nc(SCc2ncccc2[O-])s1 ZINC000577964067 314432221 /nfs/dbraw/zinc/43/22/21/314432221.db2.gz XOLDRJAJRHKMMZ-UHFFFAOYSA-N -2 3 296.421 2.421 20 0 CEADHL CCC[C@H](NC(=O)[O-])C(=O)Nc1cc(Cl)ccc1[O-] ZINC000739318036 574909620 /nfs/dbraw/zinc/90/96/20/574909620.db2.gz CHVHRZREIFBLNU-QMMMGPOBSA-N -2 3 286.715 2.420 20 0 CEADHL Cc1ccc(NC(=O)CC(C)(C)NC(=O)[O-])c([O-])c1 ZINC000740137518 574944819 /nfs/dbraw/zinc/94/48/19/574944819.db2.gz AIMNKCBBXAMVAO-UHFFFAOYSA-N -2 3 266.297 2.075 20 0 CEADHL O=C([O-])Nc1cc(C(=O)Nc2ncccc2[O-])ccc1F ZINC000740699247 574965144 /nfs/dbraw/zinc/96/51/44/574965144.db2.gz SGUIEPIQLFGLQS-UHFFFAOYSA-N -2 3 291.238 2.269 20 0 CEADHL O=C([O-])Nc1ccc(C(=O)Nc2ccccc2[O-])c([O-])c1 ZINC000740701017 574965458 /nfs/dbraw/zinc/96/54/58/574965458.db2.gz HEPMOMLLWLPZHM-UHFFFAOYSA-N -3 3 288.259 2.440 20 0 CEADHL O=C([O-])c1ccc(C[S@@](=O)c2ccc([O-])cc2)cc1 ZINC000819691335 597282161 /nfs/dbraw/zinc/28/21/61/597282161.db2.gz IBRAMLBOBYNFMT-LJQANCHMSA-N -2 3 276.313 2.398 20 0 CEADHL Cc1nc(NC(=O)c2cc(C)ccc2[O-])sc1C(=O)[O-] ZINC000832953065 601378791 /nfs/dbraw/zinc/37/87/91/601378791.db2.gz KHATZNPDDUNHJF-UHFFFAOYSA-N -2 3 292.316 2.416 20 0 CEADHL C[C@@]1(C(=O)Nc2cc(Cl)ccc2[O-])CCN(C(=O)[O-])C1 ZINC000825677869 604060934 /nfs/dbraw/zinc/06/09/34/604060934.db2.gz LEKCYCBOBKYFHX-CYBMUJFWSA-N -2 3 298.726 2.374 20 0 CEADHL O=C([O-])N1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000834054286 606013630 /nfs/dbraw/zinc/01/36/30/606013630.db2.gz 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O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2)c(F)c1 ZINC000063009399 362742633 /nfs/dbraw/zinc/74/26/33/362742633.db2.gz XPCNLDJYIAZQKF-UHFFFAOYSA-N -2 3 295.291 2.325 20 0 CEADHL CC(C)C[C@H](CNC(=O)c1ccccc1[O-])CC(=O)[O-] ZINC000088272564 539670069 /nfs/dbraw/zinc/67/00/69/539670069.db2.gz WMSLHQFWHHQSFS-NSHDSACASA-N -2 3 279.336 2.259 20 0 CEADHL CCO[C@H](CS(=O)(=O)[N-]c1cccc(C)c1[O-])C1CC1 ZINC000629288867 351323409 /nfs/dbraw/zinc/32/34/09/351323409.db2.gz ATJYKNCHSYDCCL-CYBMUJFWSA-N -2 3 299.392 2.257 20 0 CEADHL Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)c([O-])c1 ZINC000019438120 361535278 /nfs/dbraw/zinc/53/52/78/361535278.db2.gz XFIXBESFJLLZIW-AWEZNQCLSA-N -2 3 285.299 2.256 20 0 CEADHL O=C(Nc1ncccc1[O-])c1ccc(Cl)cc1[O-] ZINC000090485834 364059502 /nfs/dbraw/zinc/05/95/02/364059502.db2.gz BWFUSHLUSTZTTI-UHFFFAOYSA-N -2 3 264.668 2.399 20 0 CEADHL Cc1ccc2c(C(=O)N=c3ccc([O-])n[n-]3)csc2c1 ZINC000361880367 372112501 /nfs/dbraw/zinc/11/25/01/372112501.db2.gz MFKLOPRGXQTZJC-UHFFFAOYSA-N -2 3 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364272740 /nfs/dbraw/zinc/27/27/40/364272740.db2.gz BSZIZIMPKPTZMP-UHFFFAOYSA-N -2 3 277.345 2.377 20 0 CEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000342634551 367462442 /nfs/dbraw/zinc/46/24/42/367462442.db2.gz KOVDQRRRTHGKCR-UHFFFAOYSA-N -2 3 297.307 2.341 20 0 CEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000342641291 367464827 /nfs/dbraw/zinc/46/48/27/367464827.db2.gz VPBFWOGXGAKCAR-UHFFFAOYSA-N -2 3 279.317 2.202 20 0 CEADHL CCc1nnc([N-]C(=O)c2c(F)ccc([O-])c2F)s1 ZINC000343131198 367679939 /nfs/dbraw/zinc/67/99/39/367679939.db2.gz VZFFFSDVTINIHZ-UHFFFAOYSA-N -2 3 285.275 2.337 20 0 CEADHL COC(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2[O-])[n-]1 ZINC000343890911 368062278 /nfs/dbraw/zinc/06/22/78/368062278.db2.gz WDEAFJPRTDNODC-UHFFFAOYSA-N -2 3 294.694 2.413 20 0 CEADHL COc1cc(C)cc(C(=O)N=c2cc3ccccn3[n-]2)c1[O-] ZINC000561148765 376796058 /nfs/dbraw/zinc/79/60/58/376796058.db2.gz PKFFBYLWNUDASB-UHFFFAOYSA-N -2 3 297.314 2.031 20 0 CEADHL O=C(Nc1ncccc1[O-])c1cc([O-])ccc1Cl ZINC000431611341 377656196 /nfs/dbraw/zinc/65/61/96/377656196.db2.gz SRKCFLJHTPGNLE-UHFFFAOYSA-N -2 3 264.668 2.399 20 0 CEADHL C[C@@H](C(=O)[O-])C(=O)Nc1ccc([O-])c(C(F)(F)F)c1 ZINC000417365159 533346871 /nfs/dbraw/zinc/34/68/71/533346871.db2.gz FUBPYHIYPPEJPS-RXMQYKEDSA-N -2 3 277.198 2.070 20 0 CEADHL CO[C@@H](CS(=O)(=O)[N-]c1cccc(C)c1[O-])C(C)C ZINC000647128116 396414027 /nfs/dbraw/zinc/41/40/27/396414027.db2.gz PXHVMJCNNHZFNJ-LBPRGKRZSA-N -2 3 287.381 2.113 20 0 CEADHL CC[C@H](C(=O)[O-])N(C)C(=O)c1cc(SC)ccc1[O-] ZINC000659768370 415673085 /nfs/dbraw/zinc/67/30/85/415673085.db2.gz YESHMNHMQMQMPK-SNVBAGLBSA-N -2 3 283.349 2.049 20 0 CEADHL CCN=c1[n-]c(C(=O)Nc2ccc(F)cc2[O-])cs1 ZINC000426870384 260541342 /nfs/dbraw/zinc/54/13/42/260541342.db2.gz BYTRKLWKDPRPPE-UHFFFAOYSA-N -2 3 281.312 2.094 20 0 CEADHL CC(C)C[C@H](NC(=O)[O-])C(=O)[N-]c1cc(C(C)C)no1 ZINC000736416673 574787000 /nfs/dbraw/zinc/78/70/00/574787000.db2.gz PQBILTDJELAFOL-JTQLQIEISA-N -2 3 283.328 2.419 20 0 CEADHL CCc1ccc([O-])c(C(=O)NCc2ccc(C(=O)[O-])o2)c1 ZINC000737268249 574825495 /nfs/dbraw/zinc/82/54/95/574825495.db2.gz XARZOJFXHKBYGE-UHFFFAOYSA-N -2 3 289.287 2.176 20 0 CEADHL O=C([O-])N1CCC[C@H](C(=O)Nc2cc(Cl)ccc2[O-])C1 ZINC000738506553 574866737 /nfs/dbraw/zinc/86/67/37/574866737.db2.gz CLPNGDICIVEMOK-QMMMGPOBSA-N -2 3 298.726 2.374 20 0 CEADHL O=C([O-])c1ccc(CCC(=O)Nc2ncccc2[O-])cc1 ZINC000739260002 574904481 /nfs/dbraw/zinc/90/44/81/574904481.db2.gz LUNZBEXBSOHQSU-UHFFFAOYSA-N -2 3 286.287 2.057 20 0 CEADHL CCCCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000828807050 601213927 /nfs/dbraw/zinc/21/39/27/601213927.db2.gz IVDDHEFZFMGGPQ-UHFFFAOYSA-N -2 3 289.353 2.145 20 0 CEADHL Cc1ccc(C(=O)N(C)CC(C)(C)CNC(=O)[O-])c([O-])c1 ZINC000830182021 603465644 /nfs/dbraw/zinc/46/56/44/603465644.db2.gz MWTNVCVNXZTCHC-UHFFFAOYSA-N -2 3 294.351 2.066 20 0 CEADHL C[C@]1([N-]C(=O)C(F)(F)C(F)F)CCCC[C@@H]1C(=O)[O-] ZINC000833567174 604960260 /nfs/dbraw/zinc/96/02/60/604960260.db2.gz OLZFIMZNBYWBHA-LDWIPMOCSA-N -2 3 285.237 2.037 20 0 CEADHL CCCN(CC(=O)[O-])C(=O)CCCc1ccc([O-])c(F)c1 ZINC000908950291 637545434 /nfs/dbraw/zinc/54/54/34/637545434.db2.gz QZDXFWMGTACWDC-UHFFFAOYSA-N -2 3 297.326 2.177 20 0 CEADHL CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871993953 649239875 /nfs/dbraw/zinc/23/98/75/649239875.db2.gz PJKQSSYQTITFAT-IUCAKERBSA-N -2 3 289.353 2.081 20 0 CEADHL Cc1cc(Nc2[nH]c(=O)[n-]c(=O)c2N=O)ccc1C(=O)[O-] ZINC001211652690 803736764 /nfs/dbraw/zinc/73/67/64/803736764.db2.gz LHAVBCCTQLNNSI-UHFFFAOYSA-N -2 3 290.235 2.036 20 0 CEADHL Cc1cc(-c2ccc(P(=O)([O-])[O-])cc2)cc([O-])c1F ZINC001244525390 812799058 /nfs/dbraw/zinc/79/90/58/812799058.db2.gz NHGASZSSEJZRDG-UHFFFAOYSA-N -3 3 282.207 2.310 20 0 CEADHL O=C([O-])c1ccc(Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001175430101 816200351 /nfs/dbraw/zinc/20/03/51/816200351.db2.gz FMPGLXUKUPMTAK-UHFFFAOYSA-N -2 3 281.275 2.309 20 0 CEADHL Cc1ncc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)c(=O)[n-]1 ZINC001176587341 816436523 /nfs/dbraw/zinc/43/65/23/816436523.db2.gz XMUPPZKNWVDRKS-UHFFFAOYSA-N -2 3 285.303 2.350 20 0 CEADHL CC(C)(C)CC[C@H](NC(=O)c1ccccc1[O-])C(=O)[O-] ZINC000449149374 282120263 /nfs/dbraw/zinc/12/02/63/282120263.db2.gz WQIQQSXYZZGECZ-NSHDSACASA-N -2 3 279.336 2.402 20 0 CEADHL CCc1n[n-]c(=NC(=O)c2cc3ccsc3[n-]2)s1 ZINC000618346501 348928494 /nfs/dbraw/zinc/92/84/94/348928494.db2.gz PWDLSDHZNJVRLB-UHFFFAOYSA-N -2 3 278.362 2.318 20 0 CEADHL O=C([O-])c1cnc(C=Cc2ccc(F)c(F)c2)[n-]c1=O ZINC000670369827 540362443 /nfs/dbraw/zinc/36/24/43/540362443.db2.gz DKYRPKXLPHJQPO-RQOWECAXSA-N -2 3 278.214 2.329 20 0 CEADHL Cc1ccc(NC(=O)[C@H]2CCC[C@@H]2C(=O)[O-])c([O-])c1 ZINC000634816355 368904930 /nfs/dbraw/zinc/90/49/30/368904930.db2.gz LRIJSERJJHCJQD-UWVGGRQHSA-N -2 3 263.293 2.140 20 0 CEADHL O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000634823942 368906381 /nfs/dbraw/zinc/90/63/81/368906381.db2.gz HTVQCABDFIMSSK-ZJUUUORDSA-N -2 3 281.283 2.361 20 0 CEADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1 ZINC000312311944 376708551 /nfs/dbraw/zinc/70/85/51/376708551.db2.gz VXJDLZLCSAQYOW-UHFFFAOYSA-N -2 3 291.328 2.494 20 0 CEADHL Cc1ccc([O-])c(NC(=O)c2cc(F)ccc2[O-])n1 ZINC000436843820 377829322 /nfs/dbraw/zinc/82/93/22/377829322.db2.gz KCLVHJJWELHARB-UHFFFAOYSA-N -2 3 262.240 2.193 20 0 CEADHL Cc1cccc(C(=O)NCc2cccc(C(=O)[O-])c2)c1[O-] ZINC000037716509 542282786 /nfs/dbraw/zinc/28/27/86/542282786.db2.gz AALAYANOJQKXHR-UHFFFAOYSA-N -2 3 285.299 2.329 20 0 CEADHL COc1cc2nc(-c3ccc([O-])cn3)[n-]c(=O)c2cc1OC ZINC000427457047 395113486 /nfs/dbraw/zinc/11/34/86/395113486.db2.gz JBCCKTQRAIYKKS-UHFFFAOYSA-N -2 3 299.286 2.120 20 0 CEADHL COC(=O)c1ccc([O-])c(NC(=O)c2ccccc2[O-])c1 ZINC000436503002 395123376 /nfs/dbraw/zinc/12/33/76/395123376.db2.gz FFPKPMDBCVBGHH-UHFFFAOYSA-N -2 3 287.271 2.137 20 0 CEADHL Cc1ccc([O-])c(NC(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000436994592 395172225 /nfs/dbraw/zinc/17/22/25/395172225.db2.gz NNZOGGDRRFUMNN-UHFFFAOYSA-N -2 3 271.272 2.228 20 0 CEADHL [O-]c1ccc(F)c(CN=c2[n-]nc(C(F)F)s2)c1F ZINC000438927559 395238650 /nfs/dbraw/zinc/23/86/50/395238650.db2.gz FLCFMHJQPXPUTE-UHFFFAOYSA-N -2 3 293.245 2.494 20 0 CEADHL Cc1cc(=O)[n-]c(C=Cc2cccc(C(=O)[O-])c2)n1 ZINC000352026544 154321987 /nfs/dbraw/zinc/32/19/87/154321987.db2.gz KPDQWNAOLQDFMN-AATRIKPKSA-N -2 3 256.261 2.359 20 0 CEADHL CCC(CC)(CNC(=O)c1ccc(C)cc1[O-])C(=O)[O-] ZINC000164980333 162341908 /nfs/dbraw/zinc/34/19/08/162341908.db2.gz CKLUQDQEIGPBID-UHFFFAOYSA-N -2 3 279.336 2.321 20 0 CEADHL COc1nc([N-]C(=O)c2cc(-c3ccc(C)cc3)no2)n[n-]1 ZINC000179365471 165280183 /nfs/dbraw/zinc/28/01/83/165280183.db2.gz ABLOHCYXZPEDMP-UHFFFAOYSA-N -2 3 299.290 2.029 20 0 CEADHL CC(C)C[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000037264653 173073326 /nfs/dbraw/zinc/07/33/26/173073326.db2.gz ZAAGFXJJLCGXPU-QMMMGPOBSA-N -2 3 291.394 2.159 20 0 CEADHL O=C([O-])[C@H](C(=O)Nc1ccccc1[O-])C1CCCC1 ZINC000663114337 414862661 /nfs/dbraw/zinc/86/26/61/414862661.db2.gz FGWGTTVHMGMKAE-LBPRGKRZSA-N -2 3 263.293 2.222 20 0 CEADHL CCC(CC)(C(=O)[O-])C(=O)Nc1ccccc1[O-] ZINC000653309875 414982277 /nfs/dbraw/zinc/98/22/77/414982277.db2.gz NYQUATGWQWVYSC-UHFFFAOYSA-N -2 3 251.282 2.222 20 0 CEADHL COc1ccc([O-])c(C(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC000583477432 322548848 /nfs/dbraw/zinc/54/88/48/322548848.db2.gz UYKLHVBQNHMLPF-UHFFFAOYSA-N -2 3 293.300 2.413 20 0 CEADHL O=C(Cc1cncc([O-])c1)Nc1cc(Cl)ccc1[O-] ZINC000561186366 327373127 /nfs/dbraw/zinc/37/31/27/327373127.db2.gz ZOZWLTYJBNCHCE-UHFFFAOYSA-N -2 3 278.695 2.327 20 0 CEADHL CC[C@H](C)[C@H](NC(=O)[O-])C(=O)Nc1ccccc1[O-] ZINC000739235667 574419377 /nfs/dbraw/zinc/41/93/77/574419377.db2.gz MJLAWVUPQONWIC-KWQFWETISA-N -2 3 266.297 2.013 20 0 CEADHL Cc1nc(NC(=O)c2cccc(C)c2[O-])sc1C(=O)[O-] ZINC000832962849 601377964 /nfs/dbraw/zinc/37/79/64/601377964.db2.gz CEBCKQSCYLXFMM-UHFFFAOYSA-N -2 3 292.316 2.416 20 0 CEADHL C/C(=C\COC(=O)c1cc(F)cc(Cl)c1[O-])C(=O)[O-] ZINC000833386247 605055959 /nfs/dbraw/zinc/05/59/59/605055959.db2.gz WWSKAMUKHZOENU-QHHAFSJGSA-N -2 3 288.658 2.372 20 0 CEADHL O=C([O-])N[C@@H]1CCC[C@@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000834172925 605532169 /nfs/dbraw/zinc/53/21/69/605532169.db2.gz OMZLLDBBTUJTIH-DTWKUNHWSA-N -2 3 298.726 2.420 20 0 CEADHL C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000235726105 625724260 /nfs/dbraw/zinc/72/42/60/625724260.db2.gz NXYSLYYOIFEYEH-FZMZJTMJSA-N -2 3 297.738 2.419 20 0 CEADHL CCc1ccc([O-])c(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC000902172738 634513483 /nfs/dbraw/zinc/51/34/83/634513483.db2.gz COBWWBVFVJSNJB-CMPLNLGQSA-N -2 3 291.347 2.137 20 0 CEADHL CC(C)(C)n1cc(-c2ncc(C(=O)[O-])cc2[O-])cn1 ZINC000901070608 633938324 /nfs/dbraw/zinc/93/83/24/633938324.db2.gz RYJSMCJYMCPEAE-UHFFFAOYSA-N -2 3 261.281 2.104 20 0 CEADHL CC(C)C[C@@H](NC(=O)[O-])C(=O)Nc1cccc([O-])c1F ZINC000833478227 637735028 /nfs/dbraw/zinc/73/50/28/637735028.db2.gz CQLSWOMQUAIRHD-SECBINFHSA-N -2 3 284.287 2.152 20 0 CEADHL CC[C@@H]([N-]c1nc(-c2cccc(OC)c2)no1)C(=O)[O-] ZINC000841505485 639779184 /nfs/dbraw/zinc/77/91/84/639779184.db2.gz JKFLDABZKRBTDT-SNVBAGLBSA-N -2 3 277.280 2.020 20 0 CEADHL Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)[N-]OCC1CCC1 ZINC000856348180 644644902 /nfs/dbraw/zinc/64/49/02/644644902.db2.gz SPHOVLOTMZEBSZ-UHFFFAOYSA-N -2 3 293.367 2.250 20 0 CEADHL O=C(Nc1ncccc1[O-])c1ccc2[n-]c(=S)oc2c1 ZINC000118759121 646343667 /nfs/dbraw/zinc/34/36/67/646343667.db2.gz BIWXLXQHCLHAEA-UHFFFAOYSA-N -2 3 287.300 2.469 20 0 CEADHL Cc1cc(Nc2ccc(C(N)=O)c([O-])c2)cc(C(=O)[O-])c1 ZINC001211550329 803166489 /nfs/dbraw/zinc/16/64/89/803166489.db2.gz YBYMXDNSEIXZSU-UHFFFAOYSA-N -2 3 286.287 2.241 20 0 CEADHL O=C([O-])Cc1ccc(Nc2ncc(F)cc2[O-])cc1 ZINC001174952435 816115149 /nfs/dbraw/zinc/11/51/49/816115149.db2.gz ZGVHPFIYQXVBRP-UHFFFAOYSA-N -2 3 262.240 2.297 20 0 CEADHL COc1cc(-c2nc3ccc([O-])cc3c(=O)[n-]2)ccc1O ZINC000436926799 539303740 /nfs/dbraw/zinc/30/37/40/539303740.db2.gz NLWXBUIOACJTMB-UHFFFAOYSA-N -2 3 284.271 2.422 20 0 CEADHL COc1ccccc1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000127901102 365766474 /nfs/dbraw/zinc/76/64/74/365766474.db2.gz APILUNZRKBFJNJ-UHFFFAOYSA-N -2 3 297.307 2.341 20 0 CEADHL O=C([O-])c1cnc(C=Cc2ccccc2F)[n-]c1=O ZINC000670369962 540362846 /nfs/dbraw/zinc/36/28/46/540362846.db2.gz NRVJCYWOHHTHJV-WAYWQWQTSA-N -2 3 260.224 2.190 20 0 CEADHL CC(C)[C@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000081043090 363698561 /nfs/dbraw/zinc/69/85/61/363698561.db2.gz BLWKQODIIXVQSD-MRVPVSSYSA-N -2 3 291.394 2.017 20 0 CEADHL Cc1ccc([O-])c([N-]S(=O)(=O)C[C@@H]2CCCCO2)c1 ZINC000176577331 189000803 /nfs/dbraw/zinc/00/08/03/189000803.db2.gz AQVZCWQJNLHKAM-NSHDSACASA-N -2 3 285.365 2.011 20 0 CEADHL Cc1ccc([O-])c(NC(=O)c2c([O-])cc(F)cc2F)n1 ZINC000680320693 541390623 /nfs/dbraw/zinc/39/06/23/541390623.db2.gz DLXBMPZYBNROSN-UHFFFAOYSA-N -2 3 280.230 2.332 20 0 CEADHL CCOc1nc2ccc(C(=O)Nc3ncccc3[O-])cc2[n-]1 ZINC000343859608 368044756 /nfs/dbraw/zinc/04/47/56/368044756.db2.gz ZQXDHSMFHQNCJX-UHFFFAOYSA-N -2 3 298.302 2.315 20 0 CEADHL CC[C@@](C)(CC(=O)[O-])C(=O)Nc1cc(F)ccc1[O-] ZINC000634824129 368906844 /nfs/dbraw/zinc/90/68/44/368906844.db2.gz MFYYRRPZPQPDOI-ZDUSSCGKSA-N -2 3 269.272 2.361 20 0 CEADHL Cc1nc(C=Cc2ccc(F)cc2)[n-]c(=O)c1CC(=O)[O-] ZINC000347415535 218227432 /nfs/dbraw/zinc/22/74/32/218227432.db2.gz IJXCSKRWJIBHQW-DAXSKMNVSA-N -2 3 288.278 2.427 20 0 CEADHL Cc1ccccc1-c1cc(=NC(=O)c2ncccc2[O-])[nH][n-]1 ZINC000428021584 395132263 /nfs/dbraw/zinc/13/22/63/395132263.db2.gz NVIFVWJENICCNW-UHFFFAOYSA-N -2 3 294.314 2.160 20 0 CEADHL COc1cc(C(=O)[N-]c2cc(Cl)c([O-])cc2F)on1 ZINC000436775011 395153272 /nfs/dbraw/zinc/15/32/72/395153272.db2.gz WDCLHBXSJWEZGO-UHFFFAOYSA-N -2 3 286.646 2.434 20 0 CEADHL Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1cc(F)ccc1[O-] ZINC000649231351 396096753 /nfs/dbraw/zinc/09/67/53/396096753.db2.gz RMDCSOMMSZWMGA-UHFFFAOYSA-N -2 3 277.299 2.360 20 0 CEADHL Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)c([O-])c1 ZINC000263463216 154097936 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/nfs/dbraw/zinc/80/96/67/637809667.db2.gz MLSWXUSOQPMUQB-WDEREUQCSA-N -2 3 295.310 2.039 20 0 CEADHL CCC[C@H](CNC(=O)c1cc([O-])ccc1Cl)C(=O)[O-] ZINC000233353488 641314422 /nfs/dbraw/zinc/31/44/22/641314422.db2.gz UEDOEDJAGFUKLL-MRVPVSSYSA-N -2 3 285.727 2.276 20 0 CEADHL O=C(Cc1ccc([O-])c(Cl)c1)[N-]O[C@@H]1CCCCO1 ZINC000865079990 647173208 /nfs/dbraw/zinc/17/32/08/647173208.db2.gz GFDLQDQVBDQXMM-CYBMUJFWSA-N -2 3 285.727 2.163 20 0 CEADHL F[C@H]1CCCC[C@@H]1Oc1nc2ncnc-2c([S-])[n-]1 ZINC001226781436 805736375 /nfs/dbraw/zinc/73/63/75/805736375.db2.gz BCTATZRFWVFSDK-BQBZGAKWSA-N -2 3 268.317 2.301 20 0 CEADHL CCCC(=O)[C@@H](CCC)OCCCCP(=O)([O-])[O-] ZINC001225019851 807115280 /nfs/dbraw/zinc/11/52/80/807115280.db2.gz BFFFFCNRLZDXDE-GFCCVEGCSA-N -2 3 280.301 2.499 20 0 CEADHL O=P([O-])([O-])CCCCO[C@H]1CCC(F)(F)C1 ZINC001225020014 807115482 /nfs/dbraw/zinc/11/54/82/807115482.db2.gz IDNNEMXDFLPFQP-QMMMGPOBSA-N -2 3 258.201 2.149 20 0 CEADHL Cc1ccc(C(=O)[O-])cc1Nc1cc(=O)[n-]c(=S)[nH]1 ZINC001174981561 816123674 /nfs/dbraw/zinc/12/36/74/816123674.db2.gz NETQWDQKPQZQAX-UHFFFAOYSA-N -2 3 277.305 2.221 20 0 CEADHL O=C(N=c1ccc([O-])n[n-]1)[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000622847167 349893933 /nfs/dbraw/zinc/89/39/33/349893933.db2.gz KTPLXJVHHRVITM-KGLIPLIRSA-N -2 3 297.358 2.202 20 0 CEADHL CC[C@H](C)C[C@H](NC(=O)c1cc(OC)ccc1[O-])C(=O)[O-] ZINC000400472145 344863182 /nfs/dbraw/zinc/86/31/82/344863182.db2.gz XOHXTUNVIXALRZ-CABZTGNLSA-N -2 3 295.335 2.020 20 0 CEADHL Cc1ccc([O-])c(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000130080560 365922550 /nfs/dbraw/zinc/92/25/50/365922550.db2.gz BRMKVVVIVVGBAY-UHFFFAOYSA-N -2 3 295.302 2.133 20 0 CEADHL CCCCc1[n-]n(-c2cn[n-]c(=O)c2Cl)c(=O)c1C ZINC000634587038 368733134 /nfs/dbraw/zinc/73/31/34/368733134.db2.gz CJHHDFCTPQYBAX-SSDOTTSWSA-N -2 3 282.731 2.365 20 0 CEADHL C[C@@H](CC(=O)[O-])CC(=O)Nc1cc(Cl)ccc1[O-] ZINC000634816302 368904977 /nfs/dbraw/zinc/90/49/77/368904977.db2.gz JLZQOTAERHAYCU-SSDOTTSWSA-N -2 3 271.700 2.485 20 0 CEADHL O=C([O-])[C@H]1CCCN(Cc2cccc([O-])c2Cl)C1 ZINC000328136525 394551826 /nfs/dbraw/zinc/55/18/26/394551826.db2.gz PMKDLYOZQZJJQM-JTQLQIEISA-N -2 3 269.728 2.342 20 0 CEADHL Cc1ccc([O-])c(NC(=O)c2ccc([O-])cc2F)n1 ZINC000436603947 395133467 /nfs/dbraw/zinc/13/34/67/395133467.db2.gz CAONAZICBGGWHJ-UHFFFAOYSA-N -2 3 262.240 2.193 20 0 CEADHL Cc1cnc(C(=O)Nc2ccc([O-])cc2F)c([O-])c1 ZINC000436827243 395156958 /nfs/dbraw/zinc/15/69/58/395156958.db2.gz SPPVVMVMHPLRFO-UHFFFAOYSA-N -2 3 262.240 2.193 20 0 CEADHL C[C@H]1CCN(Cc2c(F)ccc([O-])c2F)C[C@H]1C(=O)[O-] ZINC000567867887 395537836 /nfs/dbraw/zinc/53/78/36/395537836.db2.gz YWNVYTVULUKNQH-DTWKUNHWSA-N -2 3 285.290 2.213 20 0 CEADHL CO[C@H](CS(=O)(=O)[N-]c1c(C)cccc1[O-])C(C)C ZINC000647128288 396413925 /nfs/dbraw/zinc/41/39/25/396413925.db2.gz YFVNWOVIESMJMF-GFCCVEGCSA-N -2 3 287.381 2.113 20 0 CEADHL CCc1ccc([O-])c(C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000263337537 154061613 /nfs/dbraw/zinc/06/16/13/154061613.db2.gz MTOUDZFOQMSAPK-JQWIXIFHSA-N -2 3 291.347 2.137 20 0 CEADHL Cc1cccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)c1[O-] ZINC000263508316 154103362 /nfs/dbraw/zinc/10/33/62/154103362.db2.gz MQNBNVXKASODMC-WDEREUQCSA-N -2 3 277.320 2.026 20 0 CEADHL O=C(Nc1cccc(Cl)c1[O-])c1cncc([O-])c1 ZINC000172356987 165058349 /nfs/dbraw/zinc/05/83/49/165058349.db2.gz XIEYLNLQNGFOTI-UHFFFAOYSA-N -2 3 264.668 2.399 20 0 CEADHL CCc1ccc([O-])c(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)c1 ZINC000663153598 414874743 /nfs/dbraw/zinc/87/47/43/414874743.db2.gz PTRIYOODLWQJEH-CYBMUJFWSA-N -2 3 291.347 2.185 20 0 CEADHL CC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(SC)ccc1[O-] ZINC000659768369 415672034 /nfs/dbraw/zinc/67/20/34/415672034.db2.gz YESHMNHMQMQMPK-JTQLQIEISA-N -2 3 283.349 2.049 20 0 CEADHL CC[C@@H](CS(=O)(=O)[N-]c1cc(Cl)ccc1[O-])OC ZINC000421161286 270597371 /nfs/dbraw/zinc/59/73/71/270597371.db2.gz WRGZCBAQQVMWMS-VIFPVBQESA-N -2 3 293.772 2.212 20 0 CEADHL Cc1nnc([N-]C(=O)c2c(F)ccc([O-])c2F)s1 ZINC000438763942 281480152 /nfs/dbraw/zinc/48/01/52/281480152.db2.gz CKNIRGBJACTFFJ-UHFFFAOYSA-N -2 3 271.248 2.083 20 0 CEADHL Cc1ccc(-c2cc(=NC(=O)c3c([O-])cccc3[O-])[nH][n-]2)o1 ZINC000447800821 281865841 /nfs/dbraw/zinc/86/58/41/281865841.db2.gz XWQJPTBPTIKFFR-UHFFFAOYSA-N -3 3 299.286 2.064 20 0 CEADHL CCCCCS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1F ZINC000521526822 313127927 /nfs/dbraw/zinc/12/79/27/313127927.db2.gz BGTVFENAZPDMLV-UHFFFAOYSA-N -2 3 289.328 2.456 20 0 CEADHL O=S(=O)(CCCCF)[N-]c1cc([O-])c(F)cc1F ZINC000414396736 534859211 /nfs/dbraw/zinc/85/92/11/534859211.db2.gz PPVLDWJDYCZHRG-UHFFFAOYSA-N -2 3 283.271 2.162 20 0 CEADHL CC(C)c1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC000736511853 574790960 /nfs/dbraw/zinc/79/09/60/574790960.db2.gz FIUZJAQLWOSAKZ-GFCCVEGCSA-N -2 3 291.347 2.452 20 0 CEADHL CC(C)c1ccc(C(=O)N(C)CCCNC(=O)[O-])c([O-])c1 ZINC000738879458 574883148 /nfs/dbraw/zinc/88/31/48/574883148.db2.gz VGSQQNWZFYHGEP-UHFFFAOYSA-N -2 3 294.351 2.245 20 0 CEADHL Cc1cccc(C(=O)Nc2cc(C(=O)[O-])ccn2)c1[O-] ZINC000079701857 600451570 /nfs/dbraw/zinc/45/15/70/600451570.db2.gz HRJLVISTWSZDMC-UHFFFAOYSA-N -2 3 272.260 2.046 20 0 CEADHL CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(C)cc1[O-] ZINC000237123210 601132760 /nfs/dbraw/zinc/13/27/60/601132760.db2.gz OMETVOKLRDXWCD-CQSZACIVSA-N -2 3 265.309 2.074 20 0 CEADHL CCc1ccc([O-])c(C(=O)Nc2cc(C(=O)[O-])n(C)c2)c1 ZINC000830253676 601760770 /nfs/dbraw/zinc/76/07/70/601760770.db2.gz LEYKEWFQXJNHAD-UHFFFAOYSA-N -2 3 288.303 2.244 20 0 CEADHL O=C([O-])N[C@@H]1CCC[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000834172927 605531820 /nfs/dbraw/zinc/53/18/20/605531820.db2.gz OMZLLDBBTUJTIH-RKDXNWHRSA-N -2 3 298.726 2.420 20 0 CEADHL O=C([O-])NC1(C(=O)Nc2cc(F)ccc2[O-])CCCCC1 ZINC000834155021 605538414 /nfs/dbraw/zinc/53/84/14/605538414.db2.gz XQQCIGLRWWWJEO-UHFFFAOYSA-N -2 3 296.298 2.440 20 0 CEADHL C[C@H]1CCN(C(=O)c2cc([O-])ccc2Cl)[C@H](C(=O)[O-])C1 ZINC000235636170 625682218 /nfs/dbraw/zinc/68/22/18/625682218.db2.gz KYPKSZIKVMYXOG-UFBFGSQYSA-N -2 3 297.738 2.371 20 0 CEADHL C[C@H](CC(=O)[O-])NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000909094034 637603059 /nfs/dbraw/zinc/60/30/59/637603059.db2.gz KKKLNEHQASZBGM-ZCFIWIBFSA-N -2 3 291.225 2.004 20 0 CEADHL O=C(Nc1ncccc1[O-])c1cccc(Cl)c1[O-] ZINC000783646262 647743172 /nfs/dbraw/zinc/74/31/72/647743172.db2.gz PESRKUMICHBVGJ-UHFFFAOYSA-N -2 3 264.668 2.399 20 0 CEADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CC[C@H]1CC=CCC1 ZINC000871995148 649240023 /nfs/dbraw/zinc/24/00/23/649240023.db2.gz LGCGQBGAZQDXKM-JTQLQIEISA-N -2 3 299.348 2.003 20 0 CEADHL C[C@@H](COCCCCP(=O)([O-])[O-])Oc1ccccc1 ZINC001225019005 807114050 /nfs/dbraw/zinc/11/40/50/807114050.db2.gz OAXBCVZOHQUWIU-LBPRGKRZSA-N -2 3 288.280 2.428 20 0 CEADHL Cc1ncc(Nc2ccc(C(=O)[O-])cc2C)c(=O)[n-]1 ZINC001211621038 803433566 /nfs/dbraw/zinc/43/35/66/803433566.db2.gz SHHPUFFDYAEKTH-UHFFFAOYSA-N -2 3 259.265 2.241 20 0 CEADHL C[C@H](COCCCCP(=O)([O-])[O-])Oc1ccccc1 ZINC001225019004 807114162 /nfs/dbraw/zinc/11/41/62/807114162.db2.gz OAXBCVZOHQUWIU-GFCCVEGCSA-N -2 3 288.280 2.428 20 0 CEADHL O=C([O-])c1cc(Nc2ncc(F)cc2[O-])cs1 ZINC001176435251 816408335 /nfs/dbraw/zinc/40/83/35/816408335.db2.gz AQXLWSMLVFVKSS-UHFFFAOYSA-N -2 3 254.242 2.430 20 0 CEADHL O=c1cc(Nc2c(F)cc(F)c([O-])c2F)[nH]c(=S)[n-]1 ZINC001176664583 816451136 /nfs/dbraw/zinc/45/11/36/816451136.db2.gz QYUTUTWEFVBEAG-UHFFFAOYSA-N -2 3 289.238 2.337 20 0 CEADHL CC(C)(C)c1ccc(NC(=O)CCC(=O)[O-])c([O-])c1 ZINC000337656934 214199526 /nfs/dbraw/zinc/19/95/26/214199526.db2.gz IQQRDCKJDMHZHO-UHFFFAOYSA-N -2 3 265.309 2.493 20 0 CEADHL CC(C)CC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000567804358 299092966 /nfs/dbraw/zinc/09/29/66/299092966.db2.gz CUDYJMQPUZKIHE-VIFPVBQESA-N -2 3 289.353 2.081 20 0 CEADHL O=C([O-])c1cnc(C=Cc2cc(F)ccc2F)[n-]c1=O ZINC000670370006 540362835 /nfs/dbraw/zinc/36/28/35/540362835.db2.gz QBVZKAFOWXLBQP-RJRFIUFISA-N -2 3 278.214 2.329 20 0 CEADHL O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000674043335 540719156 /nfs/dbraw/zinc/71/91/56/540719156.db2.gz WHSVCFNCIHKWHV-NXEZZACHSA-N -2 3 279.267 2.137 20 0 CEADHL Cc1cccc(C(=O)NCc2ccc(C(=O)[O-])cc2)c1[O-] ZINC000019807212 361557115 /nfs/dbraw/zinc/55/71/15/361557115.db2.gz ZKJGHDXJRHNOPZ-UHFFFAOYSA-N -2 3 285.299 2.329 20 0 CEADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1cccc(F)c1 ZINC000161294613 367075546 /nfs/dbraw/zinc/07/55/46/367075546.db2.gz JUKYWDGACUOQDL-UHFFFAOYSA-N -2 3 285.271 2.471 20 0 CEADHL COc1ccc([O-])c(C(=O)Nc2nc(C)ccc2[O-])c1 ZINC000345969191 368501495 /nfs/dbraw/zinc/50/14/95/368501495.db2.gz BAAAGVIJJULTCO-UHFFFAOYSA-N -2 3 274.276 2.062 20 0 CEADHL C[C@@H]1CCCN1S(=O)(=O)[N-]c1cc(Cl)ccc1[O-] ZINC000185235580 368773768 /nfs/dbraw/zinc/77/37/68/368773768.db2.gz PLLPOIASVIAZQU-MRVPVSSYSA-N -2 3 290.772 2.187 20 0 CEADHL CC(C)(CCC(=O)[O-])C(=O)Nc1cc(F)ccc1[O-] ZINC000634823920 368906419 /nfs/dbraw/zinc/90/64/19/368906419.db2.gz HAFHQNBSHUYMQU-UHFFFAOYSA-N -2 3 269.272 2.361 20 0 CEADHL Cc1ccc2sc(C(=O)N=c3ccc([O-])n[n-]3)cc2c1 ZINC000362172903 372256500 /nfs/dbraw/zinc/25/65/00/372256500.db2.gz UTWZWMMPEVVFLJ-UHFFFAOYSA-N -2 3 285.328 2.380 20 0 CEADHL CCCN(CC(=O)[O-])C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000263464272 190068884 /nfs/dbraw/zinc/06/88/84/190068884.db2.gz WIIZBELZCHPARI-UHFFFAOYSA-N -2 3 291.347 2.208 20 0 CEADHL CCc1ccc([O-])c(C(=O)N(CC(=O)[O-])[C@H](C)CC)c1 ZINC000455807827 379253253 /nfs/dbraw/zinc/25/32/53/379253253.db2.gz GSJLFPLKUXDJLO-SNVBAGLBSA-N -2 3 279.336 2.280 20 0 CEADHL CSc1ccc([O-])c(C(=O)N([C@@H](C)C(=O)[O-])C2CC2)c1 ZINC000659763752 415669779 /nfs/dbraw/zinc/66/97/79/415669779.db2.gz IFNPSFFEOXMPAG-QMMMGPOBSA-N -2 3 295.360 2.192 20 0 CEADHL CCc1ccc([O-])c(C(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])c1 ZINC000424248556 271035008 /nfs/dbraw/zinc/03/50/08/271035008.db2.gz IEMHIEMOJMKCIU-QMTHXVAHSA-N -2 3 291.347 2.280 20 0 CEADHL CCn1cn[n-]c1=NC(=O)c1cc(C(C)C)c([O-])cc1C ZINC000436673639 271680820 /nfs/dbraw/zinc/68/08/20/271680820.db2.gz 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ZINC000126348274 598201662 /nfs/dbraw/zinc/20/16/62/598201662.db2.gz RKUHYXGFMRPIKY-NTEUORMPSA-N -2 3 293.278 2.195 20 0 CEADHL CCCCC[C@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000036133430 599768299 /nfs/dbraw/zinc/76/82/99/599768299.db2.gz CGYWPRJULOOUNB-VIFPVBQESA-N -2 3 289.353 2.225 20 0 CEADHL CCC(CC)(CC(=O)[O-])[N-]C(=O)C(F)(F)C(F)F ZINC000828776548 601308073 /nfs/dbraw/zinc/30/80/73/601308073.db2.gz NPGJFCYSVQIDSE-UHFFFAOYSA-N -2 3 273.226 2.037 20 0 CEADHL Cc1ccc(CC(=O)[N-]OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000818890802 601351239 /nfs/dbraw/zinc/35/12/39/601351239.db2.gz QKFQKZGSGZTEHD-UHFFFAOYSA-N -2 3 299.326 2.484 20 0 CEADHL Cc1ccc(CC(=O)[N-]OCc2cc(C(=O)[O-])co2)cc1 ZINC000832929667 601351685 /nfs/dbraw/zinc/35/16/85/601351685.db2.gz ZYDKAIUPDKBVPS-UHFFFAOYSA-N -2 3 289.287 2.077 20 0 CEADHL C[C@@]1([N-]C(=O)C(F)(F)C(F)F)CCCC[C@@H]1C(=O)[O-] ZINC000833567175 604960190 /nfs/dbraw/zinc/96/01/90/604960190.db2.gz OLZFIMZNBYWBHA-LHLIQPBNSA-N -2 3 285.237 2.037 20 0 CEADHL CCC[C@H](NC(=O)c1ccc(C(C)C)cc1[O-])C(=O)[O-] ZINC000833649355 605023439 /nfs/dbraw/zinc/02/34/39/605023439.db2.gz KLPRCUSHLZTFSA-LBPRGKRZSA-N -2 3 279.336 2.499 20 0 CEADHL O=C([O-])N1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000834054288 606013985 /nfs/dbraw/zinc/01/39/85/606013985.db2.gz RTBQZNQDLPKJJI-VIFPVBQESA-N -2 3 284.699 2.127 20 0 CEADHL CC[C@H](NC(=O)c1cc([O-])cc(C(F)(F)F)c1)C(=O)[O-] ZINC000909123329 637614915 /nfs/dbraw/zinc/61/49/15/637614915.db2.gz RMHVGTHWGHIRJO-VIFPVBQESA-N -2 3 291.225 2.004 20 0 CEADHL CC[C@@H](C)C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909862531 637777037 /nfs/dbraw/zinc/77/70/37/637777037.db2.gz OJYOTOBOODAXMO-BXKDBHETSA-N -2 3 297.326 2.079 20 0 CEADHL CC(C)CC[C@H](C)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871993917 649239373 /nfs/dbraw/zinc/23/93/73/649239373.db2.gz UDBWOMLFZGYMGO-VIFPVBQESA-N -2 3 289.353 2.081 20 0 CEADHL C[C@H](OCCCCP(=O)([O-])[O-])c1ccncc1 ZINC001225018790 807114009 /nfs/dbraw/zinc/11/40/09/807114009.db2.gz HSDKTOQFZRWWSK-JTQLQIEISA-N -2 3 259.242 2.117 20 0 CEADHL O=C(Nc1ncccc1[O-])c1c([O-])cnc2c(F)cccc21 ZINC001138165160 815740812 /nfs/dbraw/zinc/74/08/12/815740812.db2.gz LLGVWLYXEMARKD-UHFFFAOYSA-N -2 3 299.261 2.432 20 0 CEADHL O=C([O-])C=Cc1cccc(Nc2cnc[n-]c2=O)c1 ZINC001174495053 816009128 /nfs/dbraw/zinc/00/91/28/816009128.db2.gz ILNOLOSBRIHSLF-SNAWJCMRSA-N -2 3 257.249 2.024 20 0 CEADHL Cc1ccc(NC(=O)[C@@H](C)S[C@@H](C)C(=O)[O-])c([O-])c1 ZINC000601990672 346951728 /nfs/dbraw/zinc/95/17/28/346951728.db2.gz ZHPQFDBQZHUSBH-BDAKNGLRSA-N -2 3 283.349 2.234 20 0 CEADHL O=S(=O)(CCC1CC1)[N-]c1cc(F)ccc1[O-] ZINC000092277075 344182343 /nfs/dbraw/zinc/18/23/43/344182343.db2.gz JUAGCFCPCCLLNE-UHFFFAOYSA-N -2 3 259.302 2.073 20 0 CEADHL CC[C@@H](C)C[C@@H](NC(=O)c1ccc(OC)cc1[O-])C(=O)[O-] ZINC000400447651 344862662 /nfs/dbraw/zinc/86/26/62/344862662.db2.gz NAWRNQUZRJOUNC-BXKDBHETSA-N -2 3 295.335 2.020 20 0 CEADHL [O-]c1ccc(CN=c2nc(C(F)(F)F)[n-]s2)cc1F ZINC000342347718 216318563 /nfs/dbraw/zinc/31/85/63/216318563.db2.gz ASJPYDVAWCTURU-UHFFFAOYSA-N -2 3 293.245 2.436 20 0 CEADHL O=C(NCc1ccc([O-])c(F)c1)c1ccc([O-])c(F)c1 ZINC000681058563 541497056 /nfs/dbraw/zinc/49/70/56/541497056.db2.gz RWHLSKMEDIFPKG-UHFFFAOYSA-N -2 3 279.242 2.306 20 0 CEADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000342620982 367454962 /nfs/dbraw/zinc/45/49/62/367454962.db2.gz XZZVPCZMERJHTE-UHFFFAOYSA-N -2 3 297.307 2.341 20 0 CEADHL CCc1[n-]n(-c2cn[n-]c(=O)c2Cl)c(=O)c1C(C)C ZINC000634587331 368732725 /nfs/dbraw/zinc/73/27/25/368732725.db2.gz LFBFJSMKINEPOW-VIFPVBQESA-N -2 3 282.731 2.220 20 0 CEADHL Cc1cc(NC(=O)c2ccc3n[n-]nc3c2)ccc1C(=O)[O-] ZINC000194484733 370043565 /nfs/dbraw/zinc/04/35/65/370043565.db2.gz SZPVOLDVEZKGRM-UHFFFAOYSA-N -2 3 296.286 2.217 20 0 CEADHL [O-]c1ccc(F)c(CNCc2ncccc2[O-])c1F ZINC000353258008 370099591 /nfs/dbraw/zinc/09/95/91/370099591.db2.gz KVRIHJAYOHUFFX-UHFFFAOYSA-N -2 3 266.247 2.061 20 0 CEADHL C[C@@H]1CCN(C(=O)CCC(=O)[O-])c2c([O-])cccc21 ZINC000263389389 371935818 /nfs/dbraw/zinc/93/58/18/371935818.db2.gz DFXXMJVNODVNGI-SECBINFHSA-N -2 3 263.293 2.097 20 0 CEADHL C[C@@H]1CCN(S(=O)(=O)[N-]c2cc(Cl)ccc2[O-])C1 ZINC000408136308 375416304 /nfs/dbraw/zinc/41/63/04/375416304.db2.gz CVRJOHCZLUENMC-MRVPVSSYSA-N -2 3 290.772 2.044 20 0 CEADHL Cc1ccc([N-]S(=O)(=O)C[C@H]2CCCCO2)c([O-])c1 ZINC000179832225 249331725 /nfs/dbraw/zinc/33/17/25/249331725.db2.gz SPUANXRIPWFKEV-LLVKDONJSA-N -2 3 285.365 2.011 20 0 CEADHL CC[C@H](C)CO[N-]C(=O)c1c(F)ccc([O-])c1F ZINC000293656161 377681232 /nfs/dbraw/zinc/68/12/32/377681232.db2.gz HFXLYHUDXGCTLP-ZETCQYMHSA-N -2 3 259.252 2.378 20 0 CEADHL Cc1c(C(C)C)[n-][nH]c1=NC(=O)c1ccc([O-])c(F)c1 ZINC000649230723 396097150 /nfs/dbraw/zinc/09/71/50/396097150.db2.gz USXHBJLYRWQFCC-UHFFFAOYSA-N -2 3 277.299 2.360 20 0 CEADHL C[C@@H](CC(=O)[O-])n1cc(-c2cc(C(F)(F)F)n[n-]2)cn1 ZINC000657203247 414800849 /nfs/dbraw/zinc/80/08/49/414800849.db2.gz QCVFVTPSQXTVJZ-LURJTMIESA-N -2 3 288.229 2.328 20 0 CEADHL CCC(C)(C)[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000656717517 415831166 /nfs/dbraw/zinc/83/11/66/415831166.db2.gz WVLDOKAFXYNNBF-MRVPVSSYSA-N -2 3 289.353 2.081 20 0 CEADHL Cc1cccc(C(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])c1[O-] ZINC000235631476 270315282 /nfs/dbraw/zinc/31/52/82/270315282.db2.gz CDWHUWRLAFKNOU-JOYOIKCWSA-N -2 3 277.320 2.026 20 0 CEADHL Cc1cc(=O)[n-]c(C=Cc2ccc(O)c(C(=O)[O-])c2)n1 ZINC000436827462 271690479 /nfs/dbraw/zinc/69/04/79/271690479.db2.gz DTWNWOGLVNRZOY-HWKANZROSA-N -2 3 272.260 2.065 20 0 CEADHL Cc1ccc(C(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])c([O-])c1 ZINC000094743839 301530651 /nfs/dbraw/zinc/53/06/51/301530651.db2.gz VFKSKPYSHQTKPD-YPMHNXCESA-N -2 3 291.347 2.464 20 0 CEADHL CC[C@@H](C)[C@@H](NC(=O)[O-])C(=O)Nc1ccc(C)cc1[O-] ZINC000739241028 574419937 /nfs/dbraw/zinc/41/99/37/574419937.db2.gz VGETVDPBTNTBAH-BXKDBHETSA-N -2 3 280.324 2.321 20 0 CEADHL C[C@@H](NC(=O)[O-])[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC000739013584 574889406 /nfs/dbraw/zinc/88/94/06/574889406.db2.gz XZRWPHXUFPDAAT-PWSUYJOCSA-N -2 3 292.335 2.043 20 0 CEADHL O=C([O-])c1ccc(C(=O)NCc2ccc([O-])c(F)c2)s1 ZINC000740109547 574942453 /nfs/dbraw/zinc/94/24/53/574942453.db2.gz BPTDMVAMVDECCA-UHFFFAOYSA-N -2 3 295.291 2.221 20 0 CEADHL Cc1ccc(NC(=O)CCC(C)(C)NC(=O)[O-])c([O-])c1 ZINC000740139754 574945105 /nfs/dbraw/zinc/94/51/05/574945105.db2.gz YVNREKDFFIRWOT-UHFFFAOYSA-N -2 3 280.324 2.466 20 0 CEADHL CCCCC[C@H](NC(=O)c1ccc(C)cc1[O-])C(=O)[O-] ZINC000236670536 601637613 /nfs/dbraw/zinc/63/76/13/601637613.db2.gz DTTWJAVNMFHBEH-LBPRGKRZSA-N -2 3 279.336 2.464 20 0 CEADHL O=C([O-])c1ccc(/C=C2\C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000015661963 604674111 /nfs/dbraw/zinc/67/41/11/604674111.db2.gz WQAFJACRRPYQKT-ZROIWOOFSA-N -2 3 293.278 2.195 20 0 CEADHL O=C([O-])N1CC[C@@H](COC(=O)c2cccc(Cl)c2[O-])C1 ZINC000834286642 606003642 /nfs/dbraw/zinc/00/36/42/606003642.db2.gz ZYYORUJPXJOGBW-MRVPVSSYSA-N -2 3 299.710 2.202 20 0 CEADHL O=C([O-])c1cnc(C=Cc2ccccc2-c2nnn[n-]2)s1 ZINC000826462182 607885051 /nfs/dbraw/zinc/88/50/51/607885051.db2.gz QJYWYIXZZBZOOE-AATRIKPKSA-N -2 3 299.315 2.192 20 0 CEADHL O=C([O-])c1cnc(C=Cc2ccccc2-c2nn[n-]n2)s1 ZINC000826462182 607885052 /nfs/dbraw/zinc/88/50/52/607885052.db2.gz QJYWYIXZZBZOOE-AATRIKPKSA-N -2 3 299.315 2.192 20 0 CEADHL CCc1ccc([O-])c(C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC000902172739 634514017 /nfs/dbraw/zinc/51/40/17/634514017.db2.gz COBWWBVFVJSNJB-JQWIXIFHSA-N -2 3 291.347 2.137 20 0 CEADHL COc1cc(Nc2ncc(F)cc2[O-])cc(C(=O)[O-])c1 ZINC001213588911 802981069 /nfs/dbraw/zinc/98/10/69/802981069.db2.gz JPKZQMDJZLTFIM-UHFFFAOYSA-N -2 3 278.239 2.377 20 0 CEADHL Cc1cc(Nc2[nH]c(=O)[n-]c(=O)c2N=O)cc(C(=O)[O-])c1 ZINC001211539283 803108531 /nfs/dbraw/zinc/10/85/31/803108531.db2.gz PHLSOVSSFPQLJM-UHFFFAOYSA-N -2 3 290.235 2.036 20 0 CEADHL C[C@H](S[C@@H](C)C(=O)Nc1cc(F)ccc1[O-])C(=O)[O-] ZINC000601991761 346951463 /nfs/dbraw/zinc/95/14/63/346951463.db2.gz PGZAFIMGVLNHNQ-BQBZGAKWSA-N -2 3 287.312 2.065 20 0 CEADHL CCO[C@@H](CS(=O)(=O)[N-]c1ccc(C)cc1[O-])C1CC1 ZINC000629284102 351323442 /nfs/dbraw/zinc/32/34/42/351323442.db2.gz BVQORTVJTAGCFD-AWEZNQCLSA-N -2 3 299.392 2.257 20 0 CEADHL CS(=O)(=O)[N-]c1cc(Cc2ccccc2)ccc1[O-] ZINC000336472281 213341444 /nfs/dbraw/zinc/34/14/44/213341444.db2.gz HSOVEYRISZNHTG-UHFFFAOYSA-N -2 3 277.345 2.355 20 0 CEADHL O=C(Nc1ccc(Cl)cc1[O-])c1cncc([O-])c1 ZINC000153478553 540172466 /nfs/dbraw/zinc/17/24/66/540172466.db2.gz YZXSIYAWBCBYCH-UHFFFAOYSA-N -2 3 264.668 2.399 20 0 CEADHL Cc1cc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc(C)c1O ZINC000670370012 540362804 /nfs/dbraw/zinc/36/28/04/540362804.db2.gz QGXSXFRZKOCEFE-ONEGZZNKSA-N -2 3 286.287 2.373 20 0 CEADHL COc1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc1F ZINC000670370241 540362813 /nfs/dbraw/zinc/36/28/13/540362813.db2.gz RUWMWKYJJPRBMP-HWKANZROSA-N -2 3 290.250 2.199 20 0 CEADHL Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)[O-])C2)c([O-])c1 ZINC000374094806 374486869 /nfs/dbraw/zinc/48/68/69/374486869.db2.gz PYRHUQFETCRPPS-ZBEGNZNMSA-N -2 3 289.331 2.028 20 0 CEADHL Cc1ccc([O-])c(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC000386383476 542368918 /nfs/dbraw/zinc/36/89/18/542368918.db2.gz IAFDOFMPQADWGS-KRWDZBQOSA-N -2 3 299.326 2.430 20 0 CEADHL Cc1cc(C(=O)N=c2[n-]nc(C(F)F)s2)ccc1[O-] ZINC000353885344 220388053 /nfs/dbraw/zinc/38/80/53/220388053.db2.gz GFCUFXBXWZBGPJ-UHFFFAOYSA-N -2 3 285.275 2.164 20 0 CEADHL Cc1cnc(C(=O)N2CCCc3cccc([O-])c32)c([O-])c1 ZINC000427550552 395120294 /nfs/dbraw/zinc/12/02/94/395120294.db2.gz ROPCRPYSGGPMER-UHFFFAOYSA-N -2 3 284.315 2.394 20 0 CEADHL Cc1cccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1[O-] ZINC000436757409 395152208 /nfs/dbraw/zinc/15/22/08/395152208.db2.gz UXVDWQSQVRWIGI-UHFFFAOYSA-N -2 3 295.302 2.133 20 0 CEADHL CO[C@H](CS(=O)(=O)[N-]c1ccc(C)cc1[O-])C(C)C ZINC000647122830 396413842 /nfs/dbraw/zinc/41/38/42/396413842.db2.gz ZOPJAQJLVJCHDY-CYBMUJFWSA-N -2 3 287.381 2.113 20 0 CEADHL 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CO[C@H](CS(=O)(=O)[N-]c1cccc(C)c1[O-])C(C)C ZINC000647128115 396413798 /nfs/dbraw/zinc/41/37/98/396413798.db2.gz PXHVMJCNNHZFNJ-GFCCVEGCSA-N -2 3 287.381 2.113 20 0 CEADHL CCc1ccc([O-])c(C(=O)N([C@H](C)C(=O)[O-])C2CC2)c1 ZINC000263559364 154124539 /nfs/dbraw/zinc/12/45/39/154124539.db2.gz QJZDJRKYRFGXGI-SECBINFHSA-N -2 3 277.320 2.032 20 0 CEADHL Cc1ccc([O-])c(C(=O)N2CCCC[C@H]2CC(=O)[O-])c1 ZINC000038025962 174011276 /nfs/dbraw/zinc/01/12/76/174011276.db2.gz GMXGEZMBKHOZNA-NSHDSACASA-N -2 3 277.320 2.170 20 0 CEADHL O=C([O-])[C@@]1(C(=O)Nc2ccccc2[O-])CC=CCC1 ZINC000653310312 414982146 /nfs/dbraw/zinc/98/21/46/414982146.db2.gz ZLWSZMKKYPSFHQ-AWEZNQCLSA-N -2 3 261.277 2.142 20 0 CEADHL Cc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])c([O-])c1 ZINC000235623538 270315600 /nfs/dbraw/zinc/31/56/00/270315600.db2.gz WTJQPJOOMLLVTQ-GXFFZTMASA-N -2 3 277.320 2.026 20 0 CEADHL Cc1cccc2c(=O)c(C(=O)Nc3ncccc3[O-])c[n-]c12 ZINC000357451176 534779537 /nfs/dbraw/zinc/77/95/37/534779537.db2.gz 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WGKSAOVHQLWPFE-UHFFFAOYSA-N -3 3 297.332 2.290 20 0 CEADHL O=C(NCc1ncccc1[O-])c1cc(F)cc(Cl)c1[O-] ZINC000437006850 395174025 /nfs/dbraw/zinc/17/40/25/395174025.db2.gz WFCBXZNHLTVFOF-UHFFFAOYSA-N -2 3 296.685 2.215 20 0 CEADHL CC[C@@H](C)CS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1F ZINC000566052852 395496926 /nfs/dbraw/zinc/49/69/26/395496926.db2.gz LUDICUKOHBBCFQ-MRVPVSSYSA-N -2 3 289.328 2.312 20 0 CEADHL Cc1ccc([O-])c(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)c1 ZINC000263519342 154110525 /nfs/dbraw/zinc/11/05/25/154110525.db2.gz QGMXWKRUZPDTLZ-GHMZBOCLSA-N -2 3 277.320 2.026 20 0 CEADHL Cc1nc(C=CC=Cc2ccccc2)[n-]c(=O)c1CC(=O)[O-] ZINC000349108572 154312511 /nfs/dbraw/zinc/31/25/11/154312511.db2.gz LPXCGPVLFSFTCO-VTBWALSUSA-N -2 3 296.326 2.432 20 0 CEADHL Cc1cc(=O)[n-]c(C=Cc2cc(C(=O)[O-])cs2)n1 ZINC000352025679 154322285 /nfs/dbraw/zinc/32/22/85/154322285.db2.gz GBPNAVQQLISVAM-IHWYPQMZSA-N -2 3 262.290 2.421 20 0 CEADHL Cc1ccc(C(=O)NC2CCC(C(=O)[O-])CC2)c([O-])c1 ZINC000037561339 173271900 /nfs/dbraw/zinc/27/19/00/173271900.db2.gz PJZFHJFYTKRHAP-UHFFFAOYSA-N -2 3 277.320 2.074 20 0 CEADHL O=C(NCc1ncccc1[O-])c1cc2c(cc1[O-])CCCC2 ZINC000436996443 271700130 /nfs/dbraw/zinc/70/01/30/271700130.db2.gz CCSXNMGXONUASI-UHFFFAOYSA-N -2 3 298.342 2.302 20 0 CEADHL Cc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2C(=O)[O-])c([O-])c1 ZINC000235396717 280221404 /nfs/dbraw/zinc/22/14/04/280221404.db2.gz WTJQPJOOMLLVTQ-MFKMUULPSA-N -2 3 277.320 2.026 20 0 CEADHL CCc1ccc([O-])c(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000560444860 327307984 /nfs/dbraw/zinc/30/79/84/327307984.db2.gz VICNNZAPZKUNBD-LBPRGKRZSA-N -2 3 291.347 2.282 20 0 CEADHL Cc1ccc(C(=O)N2CCC(CCC(=O)[O-])CC2)c([O-])c1 ZINC000050922425 526082087 /nfs/dbraw/zinc/08/20/87/526082087.db2.gz CNNSNYBMFJREJW-UHFFFAOYSA-N -2 3 291.347 2.418 20 0 CEADHL O=C([O-])Nc1cccc(C(=O)Nc2ncccc2[O-])c1 ZINC000740036304 574939868 /nfs/dbraw/zinc/93/98/68/574939868.db2.gz NOGFCASOHKCHPE-UHFFFAOYSA-N -2 3 273.248 2.129 20 0 CEADHL O=C([O-])Nc1ccccc1NC(=O)c1ccc2n[n-]nc2c1 ZINC000740715332 574965955 /nfs/dbraw/zinc/96/59/55/574965955.db2.gz JVVIPOMLVPQSES-UHFFFAOYSA-N -2 3 297.274 2.300 20 0 CEADHL O=C(Nc1c([O-])cccc1F)c1n[n-]c2ccccc2c1=O ZINC000743416132 575053109 /nfs/dbraw/zinc/05/31/09/575053109.db2.gz OIHIPHGOGWRKMS-UHFFFAOYSA-N -2 3 299.261 2.432 20 0 CEADHL O=C(Nc1c([O-])cccc1F)c1nnc2ccccc2c1[O-] ZINC000743416132 575053111 /nfs/dbraw/zinc/05/31/11/575053111.db2.gz OIHIPHGOGWRKMS-UHFFFAOYSA-N -2 3 299.261 2.432 20 0 CEADHL O=C([O-])c1ccc(C(=O)Nc2cccc([O-])c2F)cc1 ZINC000821545992 598158740 /nfs/dbraw/zinc/15/87/40/598158740.db2.gz OUIVICLZKRTPBB-UHFFFAOYSA-N -2 3 275.235 2.482 20 0 CEADHL O=C([O-])N[C@H]1CCC[C@@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000834172926 605532059 /nfs/dbraw/zinc/53/20/59/605532059.db2.gz OMZLLDBBTUJTIH-IUCAKERBSA-N -2 3 298.726 2.420 20 0 CEADHL O=C(Nc1ncccc1[O-])c1ccc2oc(=S)[n-]c2c1 ZINC000816822988 633478424 /nfs/dbraw/zinc/47/84/24/633478424.db2.gz DGSOUEONAVZOIT-UHFFFAOYSA-N -2 3 287.300 2.469 20 0 CEADHL CC[C@@H](C)CO[N-]C(=O)c1n[n-]c2ccccc2c1=O ZINC000816976326 633571842 /nfs/dbraw/zinc/57/18/42/633571842.db2.gz BJLFEFPTEUBZGX-SECBINFHSA-N -2 3 275.308 2.043 20 0 CEADHL O=C([O-])[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)C1CC1 ZINC000909043428 637578461 /nfs/dbraw/zinc/57/84/61/637578461.db2.gz RXAINQVBYRERCM-AWEZNQCLSA-N -2 3 285.299 2.138 20 0 CEADHL CCC(C)(C)[C@@H](C)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871995105 649239899 /nfs/dbraw/zinc/23/98/99/649239899.db2.gz KKZMIYLXZJVVSY-MRVPVSSYSA-N -2 3 289.353 2.081 20 0 CEADHL