smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1cscn1)C(=O)[O-] ZINC001609656240 1165028964 /nfs/dbraw/zinc/02/89/64/1165028964.db2.gz LVWGXRHCZXLNLL-SSDOTTSWSA-N -2 3 292.382 1.311 20 0 CDADHL CC1(CC(=O)NCCCCP(=O)([O-])[O-])CCC1 ZINC001185110856 919427724 /nfs/dbraw/zinc/42/77/24/919427724.db2.gz ZPZWSNLXNFGRCR-UHFFFAOYSA-N -2 3 263.274 1.641 20 0 CDADHL Cc1oncc1S(=O)(=O)[N-]c1ccc(F)c([O-])c1 ZINC001187370209 920503811 /nfs/dbraw/zinc/50/38/11/920503811.db2.gz BMSPCQUSTPKFFI-UHFFFAOYSA-N -2 3 272.257 1.629 20 0 CDADHL Cc1c[nH]c(C(=O)NCCCCP(=O)([O-])[O-])c1C ZINC001191164046 922433071 /nfs/dbraw/zinc/43/30/71/922433071.db2.gz NSQCIMYHNVEJRC-UHFFFAOYSA-N -2 3 274.257 1.319 20 0 CDADHL O=C([N-]c1noc2nccnc12)c1c(F)ccc(F)c1[O-] ZINC001192694760 923198822 /nfs/dbraw/zinc/19/88/22/923198822.db2.gz MKHBNMPWTPXIGK-UHFFFAOYSA-N -2 3 292.201 1.854 20 0 CDADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(F)c(F)c1[O-] ZINC001192810467 923262386 /nfs/dbraw/zinc/26/23/86/923262386.db2.gz GILHJGUDZQYKSO-UHFFFAOYSA-N -2 3 297.261 1.380 20 0 CDADHL O=P([O-])([O-])CCNC(=S)Nc1cccc(Cl)c1 ZINC001201106824 926197324 /nfs/dbraw/zinc/19/73/24/926197324.db2.gz ADMLSABUCSGQMI-UHFFFAOYSA-N -2 3 294.700 1.804 20 0 CDADHL Cc1cc([O-])cnc1[N-]S(=O)(=O)C(F)(F)F ZINC001252272095 927168219 /nfs/dbraw/zinc/16/82/19/927168219.db2.gz FIEOGLPEDBEYFN-UHFFFAOYSA-N -2 3 256.205 1.357 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1cccc2c1OCC2 ZINC001149186515 937160967 /nfs/dbraw/zinc/16/09/67/937160967.db2.gz RNOVROCUMQTIFF-UHFFFAOYSA-N -2 3 299.263 1.309 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][N-]C(=O)C(C)C)cc1F ZINC000048653502 934392094 /nfs/dbraw/zinc/39/20/94/934392094.db2.gz ILHMAAVHZUDJIM-UHFFFAOYSA-N -2 3 274.317 1.100 20 0 CDADHL O=C([O-])c1ccccc1NCCCc1c[n-][nH]c1=O ZINC001164374555 939467661 /nfs/dbraw/zinc/46/76/61/939467661.db2.gz NCOFAHPNTSFEGC-VIFPVBQESA-N -2 3 261.281 1.309 20 0 CDADHL COc1c(Nc2cnc[n-]c2=O)cccc1C(=O)[O-] ZINC001211033940 940726831 /nfs/dbraw/zinc/72/68/31/940726831.db2.gz VLBGAXWLVVSIIQ-UHFFFAOYSA-N -2 3 261.237 1.633 20 0 CDADHL Cc1cnc(F)c([C@@H](C)OCCP(=O)([O-])[O-])c1 ZINC001224601113 941774696 /nfs/dbraw/zinc/77/46/96/941774696.db2.gz DNTDCJSDXHDEQJ-MRVPVSSYSA-N -2 3 263.205 1.784 20 0 CDADHL CCCCOC(=O)[C@H](C)OCCCCP(=O)([O-])[O-] ZINC001225021837 941816248 /nfs/dbraw/zinc/81/62/48/941816248.db2.gz JKSGWFXMHUOSJI-JTQLQIEISA-N -2 3 282.273 1.693 20 0 CDADHL COc1ccc(OC[C@@H](C)Oc2nc(=O)[n-]c(=O)[n-]2)cc1 ZINC001227571506 942190307 /nfs/dbraw/zinc/19/03/07/942190307.db2.gz VIDXLWSLCGNLFX-MRVPVSSYSA-N -2 3 293.279 1.138 20 0 CDADHL CC[C@@](C)(C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)OC ZINC000322608635 970909509 /nfs/dbraw/zinc/90/95/09/970909509.db2.gz KEKKBXQSWSZURA-NSHDSACASA-N -2 3 291.325 1.071 20 0 CDADHL O=S(=O)(CCc1cccc(F)c1)[N-]c1ncccc1[O-] ZINC001259767396 945626526 /nfs/dbraw/zinc/62/65/26/945626526.db2.gz MBLLBCCBROXIEB-UHFFFAOYSA-N -2 3 296.323 1.911 20 0 CDADHL Cn1ccc(S(=O)(=O)[N-]c2cc([O-])c(F)cc2F)n1 ZINC001259943296 945730480 /nfs/dbraw/zinc/73/04/80/945730480.db2.gz OXXIMYQPLCVWEI-UHFFFAOYSA-N -2 3 289.263 1.205 20 0 CDADHL Cc1cc2c(c(-c3c(F)cc([O-])cc3F)n1)C(=O)[N-]C2=O ZINC001241120362 946161752 /nfs/dbraw/zinc/16/17/52/946161752.db2.gz QNHQPEXKGIVKHL-UHFFFAOYSA-N -2 3 290.225 1.924 20 0 CDADHL O=C([O-])c1ccc(-c2ccc(Cc3nnn[n-]3)cc2)cn1 ZINC001242338498 946684094 /nfs/dbraw/zinc/68/40/94/946684094.db2.gz YOGSFECEOABEEG-UHFFFAOYSA-N -2 3 281.275 1.551 20 0 CDADHL O=C([O-])c1ccc(-c2ccc(Cc3nn[n-]n3)cc2)cn1 ZINC001242338498 946684098 /nfs/dbraw/zinc/68/40/98/946684098.db2.gz YOGSFECEOABEEG-UHFFFAOYSA-N -2 3 281.275 1.551 20 0 CDADHL CC/C=C\C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000384731021 971954210 /nfs/dbraw/zinc/95/42/10/971954210.db2.gz BDUIWHWQYPEPMH-ARJAWSKDSA-N -2 3 259.283 1.222 20 0 CDADHL C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccc(O)cc1[O-] ZINC000092916800 958182657 /nfs/dbraw/zinc/18/26/57/958182657.db2.gz JOHWETXKJIDNMT-VXNVDRBHSA-N -2 3 265.265 1.033 20 0 CDADHL Cc1nsc([N-]C(=O)c2cc(C(=O)[O-])co2)n1 ZINC000128558182 958667355 /nfs/dbraw/zinc/66/73/55/958667355.db2.gz GKFZVOMCAGQWAL-UHFFFAOYSA-N -2 3 253.239 1.390 20 0 CDADHL CCc1cc(=O)[n-]c(CN2[C@H](C)CC[C@@H]2C(=O)[O-])n1 ZINC001573954185 961662260 /nfs/dbraw/zinc/66/22/60/961662260.db2.gz KXJKYOXFUJHWHA-PSASIEDQSA-N -2 3 265.313 1.182 20 0 CDADHL CC(C)[C@@H](CO)O[N-]C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001588833435 961734704 /nfs/dbraw/zinc/73/47/04/961734704.db2.gz MCNMJLGSFFVTSL-DUMNWFOQSA-N -2 3 283.280 1.056 20 0 CDADHL COc1cccc([O-])c1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000404654711 968327702 /nfs/dbraw/zinc/32/77/02/968327702.db2.gz STZHOQIAWHOLIQ-SECBINFHSA-N -2 3 279.292 1.338 20 0 CDADHL C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CS1 ZINC000397811964 973023126 /nfs/dbraw/zinc/02/31/26/973023126.db2.gz POFPTJBIFPXAFA-BQBZGAKWSA-N -2 3 291.350 1.150 20 0 CDADHL CC(C)(C)C[C@@H](NC(=O)c1ccc(O)cc1[O-])C(=O)[O-] ZINC000401381239 973360948 /nfs/dbraw/zinc/36/09/48/973360948.db2.gz ZOBNNCIXCMGTMS-SNVBAGLBSA-N -2 3 281.308 1.717 20 0 CDADHL CCOC(=O)c1ncc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)[n-]1 ZINC001573793464 983116967 /nfs/dbraw/zinc/11/69/67/983116967.db2.gz IAMNASCFXRVLMX-JGVFFNPUSA-N -2 3 295.295 1.026 20 0 CDADHL CCOC(=O)c1nc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c[n-]1 ZINC001573793464 983116972 /nfs/dbraw/zinc/11/69/72/983116972.db2.gz IAMNASCFXRVLMX-JGVFFNPUSA-N -2 3 295.295 1.026 20 0 CDADHL CN(Cc1nc(=O)c2sccc2[n-]1)CC1(C(=O)[O-])CC1 ZINC001598538208 992865715 /nfs/dbraw/zinc/86/57/15/992865715.db2.gz ICUBVUJUZOLJLG-UHFFFAOYSA-N -2 3 293.348 1.694 20 0 CDADHL C[C@H](OC(=O)c1cc2sccc2c([O-])c1)C(=O)C(=O)[O-] ZINC001593566463 995663622 /nfs/dbraw/zinc/66/36/22/995663622.db2.gz ZSTLHJYXRMBFBN-LURJTMIESA-N -2 3 294.284 1.806 20 0 CDADHL CC1(C)CC[C@H](CC(=O)[N-]OCCCC(=O)[O-])OC1 ZINC001593874258 996688661 /nfs/dbraw/zinc/68/86/61/996688661.db2.gz QACMUGIYLDSAFR-SNVBAGLBSA-N -2 3 273.329 1.494 20 0 CDADHL Cc1cccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])c1[O-] ZINC000085321369 179015090 /nfs/dbraw/zinc/01/50/90/179015090.db2.gz VSBGSELGNMAVAK-GXSJLCMTSA-N -2 3 263.293 1.684 20 0 CDADHL CCC1([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CCC1 ZINC000229471339 346553537 /nfs/dbraw/zinc/55/35/37/346553537.db2.gz ZNSYBSWMVDCHQV-UHFFFAOYSA-N -2 3 273.310 1.589 20 0 CDADHL Cc1n[n-]cc1C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000352094538 362845045 /nfs/dbraw/zinc/84/50/45/362845045.db2.gz BYQVNPQYAVVVMY-UHFFFAOYSA-N -2 3 285.332 1.911 20 0 CDADHL Cc1ccc(C(=O)N(C)Cc2n[n-]c(=O)o2)c([O-])c1C ZINC000622118504 351016461 /nfs/dbraw/zinc/01/64/61/351016461.db2.gz ZCXCUBVSTLRIJP-UHFFFAOYSA-N -2 3 277.280 1.370 20 0 CDADHL CC(=O)c1ccc(C(=O)N(C)[C@H](C)C(=O)[O-])cc1[O-] ZINC000569810005 363105701 /nfs/dbraw/zinc/10/57/01/363105701.db2.gz DXQPFUSYOSRULK-SSDOTTSWSA-N -2 3 265.265 1.140 20 0 CDADHL CC[C@@H](C)CO[N-]C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000292127073 198173940 /nfs/dbraw/zinc/17/39/40/198173940.db2.gz IJXCHKMBMMTHRC-SECBINFHSA-N -2 3 281.356 1.826 20 0 CDADHL O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2ccco2)CC1 ZINC000277219289 366355221 /nfs/dbraw/zinc/35/52/21/366355221.db2.gz HOUMUAVFFPLVNK-MGCOHNPYSA-N -2 3 287.337 1.449 20 0 CDADHL C[C@H](CCC[N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000277191581 366343417 /nfs/dbraw/zinc/34/34/17/366343417.db2.gz DHIJVLQFTXYCDV-MRVPVSSYSA-N -2 3 261.299 1.059 20 0 CDADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1F)C(=O)[O-] ZINC000270549162 364649330 /nfs/dbraw/zinc/64/93/30/364649330.db2.gz ZPMRPUIRWXLTIP-SECBINFHSA-N -2 3 293.291 1.415 20 0 CDADHL CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccccc1[O-] ZINC000037589349 368157587 /nfs/dbraw/zinc/15/75/87/368157587.db2.gz XCHODHXAJOFLBM-VIFPVBQESA-N -2 3 251.282 1.718 20 0 CDADHL CCc1noc(C)c1[N-]C(=O)c1cnc(C(=O)[O-])cn1 ZINC000564966874 370313482 /nfs/dbraw/zinc/31/34/82/370313482.db2.gz HJJCTMUSTXCCHR-UHFFFAOYSA-N -2 3 276.252 1.286 20 0 CDADHL C[C@H](CC[N-]S(=O)(=O)c1ccco1)CC(=O)[O-] ZINC000277213905 193586411 /nfs/dbraw/zinc/58/64/11/193586411.db2.gz HBVVTIUDUACCEB-MRVPVSSYSA-N -2 3 261.299 1.059 20 0 CDADHL Cc1ncc(S(=O)(=O)[N-]CC[C@@H](C)CC(=O)[O-])s1 ZINC000392841876 371833446 /nfs/dbraw/zinc/83/34/46/371833446.db2.gz ADPLVWCCJCUJDB-SSDOTTSWSA-N -2 3 292.382 1.231 20 0 CDADHL O=S(=O)(C[C@H]1CCCO1)[N-]c1cccc([O-])c1F ZINC000179332359 372271004 /nfs/dbraw/zinc/27/10/04/372271004.db2.gz PAZPGGAQSSXPEE-MRVPVSSYSA-N -2 3 275.301 1.452 20 0 CDADHL CC(C)(CC[N-]S(=O)(=O)c1ccco1)CCC(=O)[O-] ZINC000581106796 372829043 /nfs/dbraw/zinc/82/90/43/372829043.db2.gz ZRNDDMUAFXVWFN-UHFFFAOYSA-N -2 3 289.353 1.839 20 0 CDADHL C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000127105345 375043284 /nfs/dbraw/zinc/04/32/84/375043284.db2.gz ODWJVAWMURFBKJ-YFKPBYRVSA-N -2 3 281.692 1.231 20 0 CDADHL O=C(/C=C/c1cncc([O-])c1)NCc1ncccc1[O-] ZINC000492017118 253140162 /nfs/dbraw/zinc/14/01/62/253140162.db2.gz ITHRWFJRFHGBQS-ONEGZZNKSA-N -2 3 271.276 1.217 20 0 CDADHL COc1ccc([O-])c([N-]S(=O)(=O)CCOC(C)C)c1 ZINC000229948500 140204876 /nfs/dbraw/zinc/20/48/76/140204876.db2.gz UYOWVVSHEQEUMR-UHFFFAOYSA-N -2 3 289.353 1.568 20 0 CDADHL Cc1ccc(C(=O)N[C@@H](CC2CC2)C(=O)[O-])c([O-])c1 ZINC000262836759 149120223 /nfs/dbraw/zinc/12/02/23/149120223.db2.gz SPLDQDCTLGINTF-NSHDSACASA-N -2 3 263.293 1.684 20 0 CDADHL CC(C)(C)[C@H](NC(=O)c1cccc([O-])c1)C(=O)[O-] ZINC000035390441 172173828 /nfs/dbraw/zinc/17/38/28/172173828.db2.gz XJQTZMLPYLGMFU-SNVBAGLBSA-N -2 3 251.282 1.621 20 0 CDADHL O=C([O-])[C@@H]1C[C@H](O)[C@@H]([N-]c2nc(-c3ccccc3)no2)C1 ZINC000662898204 413675567 /nfs/dbraw/zinc/67/55/67/413675567.db2.gz ZTTGQJVUKYCYRG-DCAQKATOSA-N -2 3 289.291 1.373 20 0 CDADHL CSc1ccc([O-])c(C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000659762645 414084686 /nfs/dbraw/zinc/08/46/86/414084686.db2.gz NMGSJHOASHVEPQ-NSHDSACASA-N -2 3 297.332 1.040 20 0 CDADHL CCc1cc(=O)[n-]c(CN2Cc3ccc(C(=O)[O-])cc3C2)n1 ZINC000659790546 414119040 /nfs/dbraw/zinc/11/90/40/414119040.db2.gz HUCPVQDAQKZIRX-UHFFFAOYSA-N -2 3 299.330 1.959 20 0 CDADHL CC(C)C[C@H](Nc1ccc(-c2nn[n-]n2)nc1)C(=O)[O-] ZINC001589660471 1173164535 /nfs/dbraw/zinc/16/45/35/1173164535.db2.gz UGJHBXSQLNROQH-JTQLQIEISA-N -2 3 276.300 1.173 20 0 CDADHL CC(C)C[C@H](Nc1ccc(-c2nnn[n-]2)nc1)C(=O)[O-] ZINC001589660471 1173164533 /nfs/dbraw/zinc/16/45/33/1173164533.db2.gz UGJHBXSQLNROQH-JTQLQIEISA-N -2 3 276.300 1.173 20 0 CDADHL C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1)C(=O)[O-] ZINC000653492504 424050923 /nfs/dbraw/zinc/05/09/23/424050923.db2.gz PFMVKPAGLJBBOO-LURJTMIESA-N -2 3 295.719 1.478 20 0 CDADHL CCCC[C@@H](Sc1nc2n[nH]cc2c(=O)[n-]1)C(=O)[O-] ZINC000036673836 279140889 /nfs/dbraw/zinc/14/08/89/279140889.db2.gz MFPRPMHLGOCRFC-SSDOTTSWSA-N -2 3 282.325 1.382 20 0 CDADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1ccccn1)C(=O)[O-] ZINC000424390147 279163578 /nfs/dbraw/zinc/16/35/78/279163578.db2.gz JMPHOQPVZAEXHT-SNVBAGLBSA-N -2 3 286.353 1.107 20 0 CDADHL CC(C)=CC[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000571162078 294379511 /nfs/dbraw/zinc/37/95/11/294379511.db2.gz BHHOFKGXWPKPOZ-UHFFFAOYSA-N -2 3 276.339 1.086 20 0 CDADHL C/C=C/C[C@@H]([N-]S(=O)(=O)c1cnc(C)s1)C(=O)[O-] ZINC000575057102 295093408 /nfs/dbraw/zinc/09/34/08/295093408.db2.gz DKEXXARJKAMCPW-MPJRPATESA-N -2 3 290.366 1.149 20 0 CDADHL C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc2n[n-]nc2c1 ZINC000263494058 300054021 /nfs/dbraw/zinc/05/40/21/300054021.db2.gz JDMYIIMTDORUMQ-WPRPVWTQSA-N -2 3 288.307 1.283 20 0 CDADHL CCOC(=O)c1ccc(NC(=O)CCC(=O)[O-])c([O-])c1 ZINC000576468744 317145065 /nfs/dbraw/zinc/14/50/65/317145065.db2.gz JUBCOGKWPMBECL-UHFFFAOYSA-N -2 3 281.264 1.372 20 0 CDADHL CC(=O)c1ccc(C(=O)N([C@@H](C)C(=O)[O-])C2CC2)cc1[O-] ZINC000579122232 324112802 /nfs/dbraw/zinc/11/28/02/324112802.db2.gz PSXFRQSHSCNICI-QMMMGPOBSA-N -2 3 291.303 1.673 20 0 CDADHL CCC[C@@H](Oc1[n-]c(=O)nc2cn[n-]c21)C(C)C ZINC001233939054 1161099186 /nfs/dbraw/zinc/09/91/86/1161099186.db2.gz GQLJIMSDPNJDNV-SECBINFHSA-N -2 3 250.302 1.850 20 0 CDADHL CCCn1c(=O)[n-]nc1SCc1ccoc1C(=O)[O-] ZINC000060059704 521614776 /nfs/dbraw/zinc/61/47/76/521614776.db2.gz YGVLVMNVVSYBNH-UHFFFAOYSA-N -2 3 283.309 1.565 20 0 CDADHL CN(Cc1nc(=O)c2sccc2[n-]1)C(C)(C)C(=O)[O-] ZINC000061172967 523572122 /nfs/dbraw/zinc/57/21/22/523572122.db2.gz WJMSWIAJFSUPFE-UHFFFAOYSA-N -2 3 281.337 1.692 20 0 CDADHL O=C([O-])CCSCCNC(=O)c1ccccc1[O-] ZINC000739752436 576289955 /nfs/dbraw/zinc/28/99/55/576289955.db2.gz TUOLZCBXAGMSSC-UHFFFAOYSA-N -2 3 269.322 1.330 20 0 CDADHL O=C([O-])Cc1nc([N-]C(=O)c2c(F)cccc2Cl)n[nH]1 ZINC000739909329 576396717 /nfs/dbraw/zinc/39/67/17/576396717.db2.gz GWEKIIMWTPZXFN-UHFFFAOYSA-N -2 3 298.661 1.477 20 0 CDADHL O=C([O-])N1CC([N-]C(=O)C(F)(F)c2ccc(F)cc2)C1 ZINC000740488239 576477968 /nfs/dbraw/zinc/47/79/68/576477968.db2.gz IUPPWRPWUSWDIO-UHFFFAOYSA-N -2 3 288.225 1.396 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)[C@@H]1CCN(c2ccccc2)C1 ZINC001601994395 1175103812 /nfs/dbraw/zinc/10/38/12/1175103812.db2.gz ALBXTJOYHRLREO-GFCCVEGCSA-N -2 3 292.335 1.426 20 0 CDADHL CCc1n[n-]c(S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)n1 ZINC000818350370 597282900 /nfs/dbraw/zinc/28/29/00/597282900.db2.gz DEIBQSDSUPPALF-UHFFFAOYSA-N -2 3 295.320 1.039 20 0 CDADHL CCc1nnc(S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)[n-]1 ZINC000818350370 597282902 /nfs/dbraw/zinc/28/29/02/597282902.db2.gz DEIBQSDSUPPALF-UHFFFAOYSA-N -2 3 295.320 1.039 20 0 CDADHL O=C([O-])C1CCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000232428532 601611230 /nfs/dbraw/zinc/61/12/30/601611230.db2.gz KERSXCWJTOKMPC-UHFFFAOYSA-N -2 3 265.265 1.035 20 0 CDADHL CCc1cccc(C(=O)N2C[C@H](C(=O)[O-])[C@H](C)C2)c1[O-] ZINC000830259698 601801505 /nfs/dbraw/zinc/80/15/05/601801505.db2.gz DDIXRWBYBCAGJT-SKDRFNHKSA-N -2 3 277.320 1.747 20 0 CDADHL CCCN(C)S(=O)(=O)[N-]c1cc(C(=O)[O-])cs1 ZINC000829464870 602201204 /nfs/dbraw/zinc/20/12/04/602201204.db2.gz SDFKPQAWIMBIRR-UHFFFAOYSA-N -2 3 278.355 1.445 20 0 CDADHL O=C([N-]c1cnoc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823376210 606676724 /nfs/dbraw/zinc/67/67/24/606676724.db2.gz ZPILZWIZTVBISR-UHFFFAOYSA-N -2 3 292.205 1.385 20 0 CDADHL O=C([O-])CN(C(=O)CCCc1ccc([O-])c(F)c1)C1CC1 ZINC000908890569 628402657 /nfs/dbraw/zinc/40/26/57/628402657.db2.gz OKJIHZHWEFZIQW-UHFFFAOYSA-N -2 3 295.310 1.930 20 0 CDADHL O=C([O-])[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)C1CC1 ZINC000909040074 628475197 /nfs/dbraw/zinc/47/51/97/628475197.db2.gz QIJWVFSGKZQHLK-LBPRGKRZSA-N -2 3 267.256 1.053 20 0 CDADHL CCCN(C(=O)c1ccc(OC)cc1[O-])[C@H](C)C(=O)[O-] ZINC000911700803 629448685 /nfs/dbraw/zinc/44/86/85/629448685.db2.gz JJLHUYWFBDRXQQ-SECBINFHSA-N -2 3 281.308 1.726 20 0 CDADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000202358784 677991063 /nfs/dbraw/zinc/99/10/63/677991063.db2.gz YMDVRGBSWOYJLX-UHFFFAOYSA-N -2 3 279.264 1.350 20 0 CDADHL Cc1ccc(C(=O)NC2(C(=O)[O-])CCOCC2)c([O-])c1 ZINC000131696635 677980049 /nfs/dbraw/zinc/98/00/49/677980049.db2.gz XXTXLPVEVGAOJL-UHFFFAOYSA-N -2 3 279.292 1.064 20 0 CDADHL Cc1cnc(Cl)c(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])c1 ZINC000887327880 678393241 /nfs/dbraw/zinc/39/32/41/678393241.db2.gz BCJPSKXJDKOPMI-SSDOTTSWSA-N -2 3 292.744 1.185 20 0 CDADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C)cnc1Cl)C(=O)[O-] ZINC000887328270 679057255 /nfs/dbraw/zinc/05/72/55/679057255.db2.gz RTCWBIHHEGAFII-SSDOTTSWSA-N -2 3 292.744 1.185 20 0 CDADHL C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cc([O-])ccc1Cl ZINC000235599948 679514818 /nfs/dbraw/zinc/51/48/18/679514818.db2.gz QXHKYHXWHHUBRO-CBAPKCEASA-N -2 3 283.711 1.981 20 0 CDADHL Cc1c(C=Cc2nc(C)cc(=O)[n-]2)c(C(=O)[O-])nn1C ZINC001607698221 1164274007 /nfs/dbraw/zinc/27/40/07/1164274007.db2.gz ACDQVPRBNSTACL-SNAWJCMRSA-N -2 3 274.280 1.401 20 0 CDADHL O=C([O-])c1cc([N-]C(=O)c2ncoc2[C@H]2CCCO2)on1 ZINC001608855735 1164664638 /nfs/dbraw/zinc/66/46/38/1164664638.db2.gz DUZNXMCYYWYYRW-SSDOTTSWSA-N -2 3 293.235 1.465 20 0 CDADHL O=C([O-])c1cncc(NCc2cc(=O)[n-]c(C3CC3)n2)n1 ZINC001608981885 1164704981 /nfs/dbraw/zinc/70/49/81/1164704981.db2.gz JHMDOEKGZHTDTF-UHFFFAOYSA-N -2 3 287.279 1.160 20 0 CDADHL C[C@@H]1CC[C@@H](C(=O)[O-])CN1c1ccc(-c2nn[n-]n2)cc1 ZINC001590226666 1173302923 /nfs/dbraw/zinc/30/29/23/1173302923.db2.gz RPPHLVWUMSKANZ-MWLCHTKSSA-N -2 3 287.323 1.556 20 0 CDADHL Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2cn[n-]n2)cc1 ZINC001600372142 1174458123 /nfs/dbraw/zinc/45/81/23/1174458123.db2.gz PJLYTYJVHSSNEB-JTQLQIEISA-N -2 3 274.280 1.059 20 0 CDADHL Cc1c(NC(=O)c2cccc(C)c2[O-])cnn1CC(=O)[O-] ZINC001600513562 1174493465 /nfs/dbraw/zinc/49/34/65/1174493465.db2.gz PASNJMHIKOSMKR-UHFFFAOYSA-N -2 3 289.291 1.542 20 0 CDADHL O=C([O-])C1(COC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC001601362492 1174846471 /nfs/dbraw/zinc/84/64/71/1174846471.db2.gz XWZOGWONLNXKAG-UHFFFAOYSA-N -2 3 268.240 1.482 20 0 CDADHL CC(C)(CNc1ccc(-c2nnn[n-]2)nc1)CC(=O)[O-] ZINC001603150700 1175501934 /nfs/dbraw/zinc/50/19/34/1175501934.db2.gz MGEOEKXDSXNGJG-UHFFFAOYSA-N -2 3 276.300 1.175 20 0 CDADHL CC(C)(CNc1ccc(-c2nn[n-]n2)nc1)CC(=O)[O-] ZINC001603150700 1175501941 /nfs/dbraw/zinc/50/19/41/1175501941.db2.gz MGEOEKXDSXNGJG-UHFFFAOYSA-N -2 3 276.300 1.175 20 0 CDADHL COC(=O)c1cnc(SCc2occc2C(=O)[O-])[n-]1 ZINC001606532056 1163925184 /nfs/dbraw/zinc/92/51/84/1163925184.db2.gz GLKKXENYEOKLHR-UHFFFAOYSA-N -2 3 282.277 1.780 20 0 CDADHL CSCCO[N-]C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001607400318 1164168318 /nfs/dbraw/zinc/16/83/18/1164168318.db2.gz VVAFKFOAGMBYTR-UHFFFAOYSA-N -2 3 273.354 1.432 20 0 CDADHL CSc1ccc([O-])c(C(=O)NCC(C)(C)C(=O)[O-])c1 ZINC001607410377 1164170653 /nfs/dbraw/zinc/17/06/53/1164170653.db2.gz WYQUWHGVXROIEI-UHFFFAOYSA-N -2 3 283.349 1.955 20 0 CDADHL CCN(CCC(=O)[O-])C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC001610001137 1165179757 /nfs/dbraw/zinc/17/97/57/1165179757.db2.gz RDTZCTIGQWSWOC-UHFFFAOYSA-N -2 3 294.307 1.287 20 0 CDADHL CCOC(=O)c1cc(NC(=O)C[C@H](C)CC(=O)[O-])[n-]n1 ZINC001610021254 1165187844 /nfs/dbraw/zinc/18/78/44/1165187844.db2.gz BTJVSEUVCYAUBA-ZETCQYMHSA-N -2 3 283.284 1.026 20 0 CDADHL CCOC(=O)c1cc(NC(=O)C[C@H](C)CC(=O)[O-])n[n-]1 ZINC001610021254 1165187847 /nfs/dbraw/zinc/18/78/47/1165187847.db2.gz BTJVSEUVCYAUBA-ZETCQYMHSA-N -2 3 283.284 1.026 20 0 CDADHL COC(=O)c1cnc(SC/C=C(/C)C(=O)[O-])[n-]1 ZINC001610195148 1165249556 /nfs/dbraw/zinc/24/95/56/1165249556.db2.gz CLCHGGPKDKBBHP-UTCJRWHESA-N -2 3 256.283 1.319 20 0 CDADHL CCCCOC[C@H](C)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233939365 913152438 /nfs/dbraw/zinc/15/24/38/913152438.db2.gz IMYWLGWJAZKYMD-QMMMGPOBSA-N -2 3 266.301 1.230 20 0 CDADHL O=C([O-])c1ccc(Nc2cc(=O)[n-]c(=S)[nH]2)cc1 ZINC001176711142 914244915 /nfs/dbraw/zinc/24/49/15/914244915.db2.gz LWWIWBYKMLSPKK-UHFFFAOYSA-N -2 3 263.278 1.913 20 0 CDADHL O=C1CCCC[C@@H]1Oc1nc2ncnc-2c([S-])[n-]1 ZINC001226780807 905623515 /nfs/dbraw/zinc/62/35/15/905623515.db2.gz AAFHEISMTXNRHX-ZETCQYMHSA-N -2 3 264.310 1.532 20 0 CDADHL O=C(/C=C/c1ccc[nH]1)NCCCCP(=O)([O-])[O-] ZINC001177938676 915068345 /nfs/dbraw/zinc/06/83/45/915068345.db2.gz QJSMAIAZPXAAMC-AATRIKPKSA-N -2 3 272.241 1.102 20 0 CDADHL O=C([O-])C1(C(=O)Nc2cncc([O-])c2)CCCCC1 ZINC001180435020 916331893 /nfs/dbraw/zinc/33/18/93/916331893.db2.gz SQFCGFWSRZJDAP-UHFFFAOYSA-N -2 3 264.281 1.761 20 0 CDADHL Cc1cccc(Cl)c1NC(=O)NCCP(=O)([O-])[O-] ZINC001184557786 919191976 /nfs/dbraw/zinc/19/19/76/919191976.db2.gz MFIWYGNUTIHUKL-UHFFFAOYSA-N -2 3 292.659 1.948 20 0 CDADHL O=S(=O)([N-]C1=CC=C[CH]1)c1cccnc1Cl ZINC001184899424 919317444 /nfs/dbraw/zinc/31/74/44/919317444.db2.gz DSKMPLYLRRFJGQ-UHFFFAOYSA-N -2 3 255.706 1.671 20 0 CDADHL CSc1ccc(NC(=O)NCCP(=O)([O-])[O-])cc1 ZINC001188119395 920844060 /nfs/dbraw/zinc/84/40/60/920844060.db2.gz BLGQEXQMMYSWGH-UHFFFAOYSA-N -2 3 290.281 1.708 20 0 CDADHL O=C(NCCCc1ccccc1)NCCP(=O)([O-])[O-] ZINC001191218809 922451422 /nfs/dbraw/zinc/45/14/22/922451422.db2.gz FBPFKMFJIMPYAM-UHFFFAOYSA-N -2 3 286.268 1.096 20 0 CDADHL Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1cncc([O-])c1 ZINC001192315881 923006166 /nfs/dbraw/zinc/00/61/66/923006166.db2.gz BGVPBQAMSBQVID-UHFFFAOYSA-N -2 3 299.739 1.945 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]c2cncc([O-])c2)cnc1Cl ZINC001192528983 923145982 /nfs/dbraw/zinc/14/59/82/923145982.db2.gz DDCPDNVIBVRXDU-UHFFFAOYSA-N -2 3 299.739 1.945 20 0 CDADHL Cc1ccc(C)c(NC(=O)NCCP(=O)([O-])[O-])c1 ZINC001202769589 931448870 /nfs/dbraw/zinc/44/88/70/931448870.db2.gz COYMXUFGLRTKSH-UHFFFAOYSA-N -2 3 272.241 1.603 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1cc2[nH]ccc2cn1 ZINC001154968347 937613700 /nfs/dbraw/zinc/61/37/00/937613700.db2.gz CHXBSJGVLNJBDE-UHFFFAOYSA-N -2 3 297.251 1.251 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H]1C=CCCC1 ZINC001119066162 937693284 /nfs/dbraw/zinc/69/32/84/937693284.db2.gz SOFKMHBPQWSEJZ-MRVPVSSYSA-N -2 3 271.294 1.365 20 0 CDADHL [O-]c1cc(F)c(-c2ccc(-c3nnn[n-]3)nc2)cc1F ZINC001211350882 940749126 /nfs/dbraw/zinc/74/91/26/940749126.db2.gz WXKKZUYVBIOPEU-UHFFFAOYSA-N -2 3 275.218 1.913 20 0 CDADHL CC(C)Oc1ccc(COCCP(=O)([O-])[O-])cn1 ZINC001224606727 941775535 /nfs/dbraw/zinc/77/55/35/941775535.db2.gz RCYJWKWFFOOJHY-UHFFFAOYSA-N -2 3 275.241 1.563 20 0 CDADHL CCCCOC(=O)[C@@H](C)Oc1nc2ncnc-2c([S-])[n-]1 ZINC001226780594 942068392 /nfs/dbraw/zinc/06/83/92/942068392.db2.gz QOMJUXQSTGXCEQ-SSDOTTSWSA-N -2 3 296.352 1.752 20 0 CDADHL CCCCC(=O)[C@@H](CCCC)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227571499 942190926 /nfs/dbraw/zinc/19/09/26/942190926.db2.gz VAYKUNBGJNLQOJ-SNVBAGLBSA-N -2 3 283.328 1.980 20 0 CDADHL O=C([O-])c1cc(-c2ccccc2-c2nnn[n-]2)cnc1F ZINC001244753400 947453786 /nfs/dbraw/zinc/45/37/86/947453786.db2.gz WAAWYKMIXYUGHY-UHFFFAOYSA-N -2 3 285.238 1.766 20 0 CDADHL O=C([O-])c1cc(-c2ccccc2-c2nn[n-]n2)cnc1F ZINC001244753400 947453792 /nfs/dbraw/zinc/45/37/92/947453792.db2.gz WAAWYKMIXYUGHY-UHFFFAOYSA-N -2 3 285.238 1.766 20 0 CDADHL O=C([O-])C[C@@H]1CC[C@H](NC(=O)c2ccc(O)cc2[O-])C1 ZINC000379079700 971598418 /nfs/dbraw/zinc/59/84/18/971598418.db2.gz XFSJFWKEIOQXID-BDAKNGLRSA-N -2 3 279.292 1.471 20 0 CDADHL CCN(C(=O)Cc1ccc([O-])c(F)c1)[C@@H](C)C(=O)[O-] ZINC001589704031 950264137 /nfs/dbraw/zinc/26/41/37/950264137.db2.gz VBRCESDIHCFLRM-QMMMGPOBSA-N -2 3 269.272 1.395 20 0 CDADHL O=S(=O)([N-]c1cncc([O-])c1)c1ccccc1 ZINC001251116158 950617580 /nfs/dbraw/zinc/61/75/80/950617580.db2.gz ZLZWBIZIXYXKSX-UHFFFAOYSA-N -2 3 250.279 1.588 20 0 CDADHL CCOC(=O)c1cc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)[n-]n1 ZINC001591092230 951065202 /nfs/dbraw/zinc/06/52/02/951065202.db2.gz TYZHMQYMVYVYLF-VIFPVBQESA-N -2 3 297.311 1.272 20 0 CDADHL CCOC(=O)c1cc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)n[n-]1 ZINC001591092230 951065214 /nfs/dbraw/zinc/06/52/14/951065214.db2.gz TYZHMQYMVYVYLF-VIFPVBQESA-N -2 3 297.311 1.272 20 0 CDADHL O=C([O-])C[C@@H]1CC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC000381087304 971737923 /nfs/dbraw/zinc/73/79/23/971737923.db2.gz XYSDZIVSKWTXQZ-ZJUUUORDSA-N -2 3 263.293 1.765 20 0 CDADHL COc1cccc([O-])c1C(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC000404727026 953380844 /nfs/dbraw/zinc/38/08/44/953380844.db2.gz ONYYXBTYQPIBNU-BDAKNGLRSA-N -2 3 279.292 1.384 20 0 CDADHL C[C@@H]1CCCN(C(=O)Cc2ccc([O-])c(F)c2)[C@H]1C(=O)[O-] ZINC001589325160 953895800 /nfs/dbraw/zinc/89/58/00/953895800.db2.gz JNLNPWDPFROUAS-YMTOWFKASA-N -2 3 295.310 1.786 20 0 CDADHL C[C@@H](NC(=O)c1cc(=O)[n-]cn1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001573623942 959528561 /nfs/dbraw/zinc/52/85/61/959528561.db2.gz XWZMYHXSGGHLRU-HRDYMLBCSA-N -2 3 293.323 1.047 20 0 CDADHL CC(C)C[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)C(=O)[O-] ZINC001588886219 962174596 /nfs/dbraw/zinc/17/45/96/962174596.db2.gz ARCVERCYYXCWLT-SNVBAGLBSA-N -2 3 294.286 1.326 20 0 CDADHL O=C([O-])[C@H]1C[C@@H](C(=O)Nc2n[n-]c(-c3ccco3)n2)C1 ZINC001571005740 963244072 /nfs/dbraw/zinc/24/40/72/963244072.db2.gz YCTSIUZROCCINI-KNVOCYPGSA-N -2 3 276.252 1.114 20 0 CDADHL C[C@H]1CCN(C(=O)Cc2ccc([O-])c(F)c2)C[C@@H]1C(=O)[O-] ZINC001603417540 973129593 /nfs/dbraw/zinc/12/95/93/973129593.db2.gz SXJRNDDYTVILNX-ONGXEEELSA-N -2 3 295.310 1.643 20 0 CDADHL CC(C)=CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000710696155 977520693 /nfs/dbraw/zinc/52/06/93/977520693.db2.gz KLOPBINBDAAOCC-UHFFFAOYSA-N -2 3 273.310 1.612 20 0 CDADHL CC[C@@](C)(NC(=O)c1cc2c(cc1[O-])OCO2)C(=O)[O-] ZINC001594841905 982059104 /nfs/dbraw/zinc/05/91/04/982059104.db2.gz ITCAEJNAUVSJOV-CYBMUJFWSA-N -2 3 281.264 1.104 20 0 CDADHL CC(C)CO[N-]C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001591397009 992464998 /nfs/dbraw/zinc/46/49/98/992464998.db2.gz GYZBHEVRLRYSPK-UHFFFAOYSA-N -2 3 251.282 1.631 20 0 CDADHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccs1 ZINC000136734037 361860498 /nfs/dbraw/zinc/86/04/98/361860498.db2.gz HPHKNMVDKBJWTO-MRVPVSSYSA-N -2 3 291.394 1.916 20 0 CDADHL CS[C@@H](C)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000162541429 359363771 /nfs/dbraw/zinc/36/37/71/359363771.db2.gz ZSHNOYBVCNKJLJ-LURJTMIESA-N -2 3 279.339 1.008 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])o1 ZINC000424395671 360038173 /nfs/dbraw/zinc/03/81/73/360038173.db2.gz VXAGGFDDORLQPP-UHFFFAOYSA-N -2 3 275.326 1.367 20 0 CDADHL Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)c([O-])c1 ZINC000092915970 378032703 /nfs/dbraw/zinc/03/27/03/378032703.db2.gz KDFDRVFFNCQTDZ-UWVGGRQHSA-N -2 3 263.293 1.636 20 0 CDADHL Cc1nc(=NC(=O)c2cc3ccsc3[n-]2)[n-]n1C ZINC000646985366 390332771 /nfs/dbraw/zinc/33/27/71/390332771.db2.gz BGSMYDKOUIYERE-UHFFFAOYSA-N -2 3 261.310 1.341 20 0 CDADHL CCc1ccc([O-])c(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC000647262212 390853836 /nfs/dbraw/zinc/85/38/36/390853836.db2.gz KKESKPPGSLGWLC-WDEREUQCSA-N -2 3 277.320 1.938 20 0 CDADHL O=C([O-])[C@@H]1CC[C@H](NC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000646150562 392100485 /nfs/dbraw/zinc/10/04/85/392100485.db2.gz HDAQWOKJOWRFFQ-ZJUUUORDSA-N -2 3 296.298 1.584 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]C(C2CC2)C2CC2)c1 ZINC000645947566 393424603 /nfs/dbraw/zinc/42/46/03/393424603.db2.gz YOVKPHWPBAYQPC-UHFFFAOYSA-N -2 3 285.321 1.445 20 0 CDADHL O=C([O-])c1ccc(CNC(=O)c2ccc3n[n-]nc3c2)cc1 ZINC000115661537 147267130 /nfs/dbraw/zinc/26/71/30/147267130.db2.gz ALWFNBUBFCKLSC-UHFFFAOYSA-N -2 3 296.286 1.586 20 0 CDADHL Cc1ccc([N-]S(=O)(=O)CCC(=O)[O-])c(F)c1 ZINC000020372323 171168594 /nfs/dbraw/zinc/16/85/94/171168594.db2.gz JVHLHQLENMCXHQ-UHFFFAOYSA-N -2 3 261.274 1.351 20 0 CDADHL CCN(C(=O)c1ccc(OC)cc1[O-])[C@@H](C)C(=O)[O-] ZINC000663126229 413973542 /nfs/dbraw/zinc/97/35/42/413973542.db2.gz VVFOBZHOUZPLQK-QMMMGPOBSA-N -2 3 267.281 1.336 20 0 CDADHL CO[C@@H]1CCN(C(=O)c2ccc(C)cc2[O-])[C@@H](C(=O)[O-])C1 ZINC000572060938 294551542 /nfs/dbraw/zinc/55/15/42/294551542.db2.gz VWIIPVULOJSTBF-ZYHUDNBSSA-N -2 3 293.319 1.405 20 0 CDADHL CCC[C@](C)([N-]S(=O)(=O)c1cc(C)cs1)C(=O)[O-] ZINC000572153213 294568922 /nfs/dbraw/zinc/56/89/22/294568922.db2.gz JTSUKKLNTQSJOE-NSHDSACASA-N -2 3 291.394 1.978 20 0 CDADHL C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000583142286 325114524 /nfs/dbraw/zinc/11/45/24/325114524.db2.gz LUVULNVPRSKDGI-APPZFPTMSA-N -2 3 273.310 1.445 20 0 CDADHL O=C([N-]c1nn2cnnc2s1)c1c(F)ccc([O-])c1F ZINC000685418933 483122395 /nfs/dbraw/zinc/12/23/95/483122395.db2.gz CUKNULDNQGRZJD-UHFFFAOYSA-N -2 3 297.246 1.422 20 0 CDADHL CC(C)[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C1CC1 ZINC000323938305 483127904 /nfs/dbraw/zinc/12/79/04/483127904.db2.gz IVMJTUWPCUOZQY-NSHDSACASA-N -2 3 287.337 1.691 20 0 CDADHL O=C([O-])CC[C@H]1CCCCN1C(=O)c1ccc(O)cc1[O-] ZINC000050921017 527599879 /nfs/dbraw/zinc/59/98/79/527599879.db2.gz ZVZNDKYSKQVLNS-SNVBAGLBSA-N -2 3 293.319 1.957 20 0 CDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)C1CC1 ZINC000054505061 527656004 /nfs/dbraw/zinc/65/60/04/527656004.db2.gz GEFMTAHRIMYQIM-JTQLQIEISA-N -2 3 291.275 1.106 20 0 CDADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccco1 ZINC000296821805 529322491 /nfs/dbraw/zinc/32/24/91/529322491.db2.gz APNGJPBUFWUAOX-MRVPVSSYSA-N -2 3 261.299 1.201 20 0 CDADHL C[C@]1(C(=O)[O-])CCN(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000095231898 1174516289 /nfs/dbraw/zinc/51/62/89/1174516289.db2.gz QGJFDJHDFQYDIW-ZDUSSCGKSA-N -2 3 273.296 1.168 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CC1=CCCC1 ZINC000871995505 679839212 /nfs/dbraw/zinc/83/92/12/679839212.db2.gz ZVKYUSUOTFMLCC-UHFFFAOYSA-N -2 3 271.294 1.366 20 0 CDADHL O=C(OCc1n[nH]c(=O)[n-]1)c1cc(-c2cccs2)n[n-]1 ZINC000774922758 575251439 /nfs/dbraw/zinc/25/14/39/575251439.db2.gz UJGBGNJHRRPMAF-UHFFFAOYSA-N -2 3 291.292 1.319 20 0 CDADHL O=C(OCc1n[nH]c(=O)[n-]1)c1cc(-c2cccs2)[n-]n1 ZINC000774922758 575251442 /nfs/dbraw/zinc/25/14/42/575251442.db2.gz UJGBGNJHRRPMAF-UHFFFAOYSA-N -2 3 291.292 1.319 20 0 CDADHL C[C@@H]([N-]C(=O)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736099534 575571934 /nfs/dbraw/zinc/57/19/34/575571934.db2.gz JEYUPZZPBHTOOX-ZCFIWIBFSA-N -2 3 285.229 1.606 20 0 CDADHL C[C@@H]([N-]C(=O)C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736099534 575571936 /nfs/dbraw/zinc/57/19/36/575571936.db2.gz JEYUPZZPBHTOOX-ZCFIWIBFSA-N -2 3 285.229 1.606 20 0 CDADHL O=C([O-])CCCNC(=S)NCc1ccc([O-])c(F)c1 ZINC000739680687 576277869 /nfs/dbraw/zinc/27/78/69/576277869.db2.gz DVGPPWVAHLYHGQ-UHFFFAOYSA-N -2 3 286.328 1.360 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)Cc1ccc2c(c1)COC2 ZINC001601995668 1175104636 /nfs/dbraw/zinc/10/46/36/1175104636.db2.gz STTXBPQAZQQIHS-UHFFFAOYSA-N -2 3 279.292 1.172 20 0 CDADHL Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccccn2)c([O-])c1 ZINC000832910795 600975772 /nfs/dbraw/zinc/97/57/72/600975772.db2.gz ARJRSILLIVTXQW-CYBMUJFWSA-N -2 3 286.287 1.651 20 0 CDADHL Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])C2CC2)c([O-])c1 ZINC000137178812 601563371 /nfs/dbraw/zinc/56/33/71/601563371.db2.gz OSBXTUHMRJOAHL-NSHDSACASA-N -2 3 263.293 1.684 20 0 CDADHL O=C([O-])c1ccc(COC(=O)c2cncc([O-])c2)cc1F ZINC000833352984 601729575 /nfs/dbraw/zinc/72/95/75/601729575.db2.gz MINUNDLHPMRYNM-UHFFFAOYSA-N -2 3 291.234 1.982 20 0 CDADHL O=C([O-])C1(NC(=O)CCCc2ccc([O-])c(F)c2)CCC1 ZINC000909336182 617744267 /nfs/dbraw/zinc/74/42/67/617744267.db2.gz QNIPEUMQTSTCEK-UHFFFAOYSA-N -2 3 295.310 1.978 20 0 CDADHL O=C([O-])[C@@H]1CCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000909425315 619248788 /nfs/dbraw/zinc/24/87/88/619248788.db2.gz XBJFBAQZUJOSRA-SECBINFHSA-N -2 3 267.256 1.007 20 0 CDADHL CCCN(CC(=O)[O-])C(=O)NCc1ccc([O-])c(F)c1 ZINC000909048431 628490383 /nfs/dbraw/zinc/49/03/83/628490383.db2.gz MBBRBOGITWWIFL-UHFFFAOYSA-N -2 3 284.287 1.538 20 0 CDADHL O=C([O-])C1(CNC(=O)Cc2ccc([O-])c(F)c2)CCCC1 ZINC000909277748 628608791 /nfs/dbraw/zinc/60/87/91/628608791.db2.gz FLXDNULFRIXMLP-UHFFFAOYSA-N -2 3 295.310 1.835 20 0 CDADHL C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871994547 679713174 /nfs/dbraw/zinc/71/31/74/679713174.db2.gz XLEHAEXBNIVFOL-CBAPKCEASA-N -2 3 273.310 1.445 20 0 CDADHL C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000923152216 679772900 /nfs/dbraw/zinc/77/29/00/679772900.db2.gz CQZAWMLDNDAUQZ-MWLCHTKSSA-N -2 3 295.310 1.786 20 0 CDADHL O=C([O-])C12CC(C1)CN2C(=O)c1nnc2ccccc2c1[O-] ZINC000851616300 679804998 /nfs/dbraw/zinc/80/49/98/679804998.db2.gz YIWPPGXYMQRVAJ-UHFFFAOYSA-N -2 3 299.286 1.025 20 0 CDADHL C[C@@H](NC(=O)c1cc([O-])ccc1Cl)[C@H](C)C(=O)[O-] ZINC000235206435 681847218 /nfs/dbraw/zinc/84/72/18/681847218.db2.gz FDAKRNPXGYFQRV-NKWVEPMBSA-N -2 3 271.700 1.885 20 0 CDADHL Nc1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c([O-])c1 ZINC000844934482 682695892 /nfs/dbraw/zinc/69/58/92/682695892.db2.gz GHZNSBAPWMEPIM-JTQLQIEISA-N -2 3 292.335 1.691 20 0 CDADHL O=C([O-])[C@H]1C[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001606962394 1164038779 /nfs/dbraw/zinc/03/87/79/1164038779.db2.gz SYAGXFBPKMVCKK-KBTIHESUSA-N -2 3 294.702 1.190 20 0 CDADHL O=C([O-])[C@H]1C[C@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001606962394 1164038790 /nfs/dbraw/zinc/03/87/90/1164038790.db2.gz SYAGXFBPKMVCKK-KBTIHESUSA-N -2 3 294.702 1.190 20 0 CDADHL COc1ccc(C(=O)[O-])cc1CSCCc1nnn[n-]1 ZINC001607216740 1164131760 /nfs/dbraw/zinc/13/17/60/1164131760.db2.gz DNIODJMFHQZYEZ-UHFFFAOYSA-N -2 3 294.336 1.382 20 0 CDADHL COc1ccc(C(=O)[O-])cc1CSCCc1nn[n-]n1 ZINC001607216740 1164131764 /nfs/dbraw/zinc/13/17/64/1164131764.db2.gz DNIODJMFHQZYEZ-UHFFFAOYSA-N -2 3 294.336 1.382 20 0 CDADHL O=C([O-])[C@H](NC(=O)c1ccccc1[O-])c1cccc(O)c1 ZINC001608389128 1164504288 /nfs/dbraw/zinc/50/42/88/1164504288.db2.gz PZESIUMMUDMEHG-CYBMUJFWSA-N -2 3 287.271 1.654 20 0 CDADHL O=C([O-])c1cnc(N2Cc3nc(C4CC4)[n-]c(=O)c3C2)cn1 ZINC001608975498 1164700162 /nfs/dbraw/zinc/70/01/62/1164700162.db2.gz AOYGRYKMLREMQR-UHFFFAOYSA-N -2 3 299.290 1.068 20 0 CDADHL O=C([O-])[C@@H]1CCN(c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000095338224 1166623799 /nfs/dbraw/zinc/62/37/99/1166623799.db2.gz OXTQCCCROHPDIF-SSDOTTSWSA-N -2 3 293.714 1.431 20 0 CDADHL O=C([O-])[C@@H]1CCN(c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000095338224 1166623805 /nfs/dbraw/zinc/62/38/05/1166623805.db2.gz OXTQCCCROHPDIF-SSDOTTSWSA-N -2 3 293.714 1.431 20 0 CDADHL Cc1cc(NC(=O)c2cc(=O)[n-]cn2)sc1C(=O)[O-] ZINC001574144391 1170896075 /nfs/dbraw/zinc/89/60/75/1170896075.db2.gz PVCBDNBFKHXBBD-UHFFFAOYSA-N -2 3 279.277 1.503 20 0 CDADHL O=C([O-])CCCN1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001574361372 1170959191 /nfs/dbraw/zinc/95/91/91/1170959191.db2.gz FMKBXPIKQGXSEZ-UHFFFAOYSA-N -2 3 263.297 1.240 20 0 CDADHL Cc1cc(NCCCCC(=O)[O-])nc(-c2nnn[n-]2)c1 ZINC001592046242 1173786453 /nfs/dbraw/zinc/78/64/53/1173786453.db2.gz ADQCYCSMVBGZSO-UHFFFAOYSA-N -2 3 276.300 1.237 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]Cc2cccnc2)oc1C(=O)[O-] ZINC001600300644 1174441686 /nfs/dbraw/zinc/44/16/86/1174441686.db2.gz UVLWOYNSUMKOFE-UHFFFAOYSA-N -2 3 296.304 1.160 20 0 CDADHL Cc1ccc(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)c([O-])c1 ZINC001600341839 1174448899 /nfs/dbraw/zinc/44/88/99/1174448899.db2.gz BRQBMGGWDSIRNQ-FTGAXOIBSA-N -2 3 275.304 1.684 20 0 CDADHL O=C([O-])[C@@H](Cc1ccc(F)cc1)SCCc1nn[n-]n1 ZINC001601659603 1174934288 /nfs/dbraw/zinc/93/42/88/1174934288.db2.gz PIUUYJCKDRAMJG-SNVBAGLBSA-N -2 3 296.327 1.310 20 0 CDADHL O=C([O-])[C@@H](Cc1ccc(F)cc1)SCCc1nnn[n-]1 ZINC001601659603 1174934286 /nfs/dbraw/zinc/93/42/86/1174934286.db2.gz PIUUYJCKDRAMJG-SNVBAGLBSA-N -2 3 296.327 1.310 20 0 CDADHL O=C([O-])[C@H]1CCC[C@H](c2nc(-c3cc(=O)[n-]cn3)no2)C1 ZINC001601802691 1175013480 /nfs/dbraw/zinc/01/34/80/1175013480.db2.gz AJJDKJYZRHENIB-YUMQZZPRSA-N -2 3 290.279 1.591 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CCC2)c1 ZINC001608990871 1164711676 /nfs/dbraw/zinc/71/16/76/1164711676.db2.gz SQOIKVDBXSTUCQ-VHSXEESVSA-N -2 3 285.321 1.445 20 0 CDADHL COc1cc(C(=O)[O-])ccc1Nc1cc(=O)[n-]c(C)n1 ZINC001174671487 913279715 /nfs/dbraw/zinc/27/97/15/913279715.db2.gz WGNQKVOKKPNKJA-UHFFFAOYSA-N -2 3 275.264 1.941 20 0 CDADHL COc1cccc2c1[C@@H](OCCP(=O)([O-])[O-])CCO2 ZINC001224603936 909918086 /nfs/dbraw/zinc/91/80/86/909918086.db2.gz CRDJUAUMFNLXNS-NSHDSACASA-N -2 3 288.236 1.713 20 0 CDADHL CCOC(=O)[C@H]1CC[C@H](OCCCCP(=O)([O-])[O-])C1 ZINC001225018921 911593090 /nfs/dbraw/zinc/59/30/90/911593090.db2.gz LRLFRRGGAZTKEA-QWRGUYRKSA-N -2 3 294.284 1.693 20 0 CDADHL Cc1[n-][nH]c(=O)c1CCNC(=O)C1(C(=O)[O-])CCCCC1 ZINC001180440761 916338188 /nfs/dbraw/zinc/33/81/88/916338188.db2.gz SZVRUBVTSMICBY-UHFFFAOYSA-N -2 3 295.339 1.118 20 0 CDADHL O=C(Nc1[n-]c(=O)nc2nc[nH]c21)c1ccc([O-])c(F)c1 ZINC001186233618 919934376 /nfs/dbraw/zinc/93/43/76/919934376.db2.gz LUHMETBQDOVFNR-UHFFFAOYSA-N -2 3 289.226 1.156 20 0 CDADHL O=C(NCCP(=O)([O-])[O-])NCC1CCCCC1 ZINC001186888078 920209899 /nfs/dbraw/zinc/20/98/99/920209899.db2.gz IQMJZKGRMWFBDL-UHFFFAOYSA-N -2 3 264.262 1.044 20 0 CDADHL O=S(=O)([N-]c1ccc(F)c([O-])c1)c1c[nH]cn1 ZINC001187761345 920653902 /nfs/dbraw/zinc/65/39/02/920653902.db2.gz ZXSDYJOLQUUEJA-UHFFFAOYSA-N -2 3 257.246 1.055 20 0 CDADHL CSc1nc(NC(=O)c2nc(C)ccc2[O-])cc(=O)[n-]1 ZINC001195320242 924550971 /nfs/dbraw/zinc/55/09/71/924550971.db2.gz YPXDVRNIFTYMOE-UHFFFAOYSA-N -2 3 292.320 1.565 20 0 CDADHL Cc1ccnc(S(=O)(=O)[N-]c2cncc([O-])c2)c1 ZINC001197964045 925286081 /nfs/dbraw/zinc/28/60/81/925286081.db2.gz YUDUKBDEAAUNRP-UHFFFAOYSA-N -2 3 265.294 1.291 20 0 CDADHL Cc1cccc(NC(=O)NCCP(=O)([O-])[O-])c1 ZINC001202318084 926531719 /nfs/dbraw/zinc/53/17/19/926531719.db2.gz XHRWKADIIDJTDK-UHFFFAOYSA-N -2 3 258.214 1.294 20 0 CDADHL Cc1nonc1[N-]C(=O)c1nc2ccc(Cl)[n-]c-2n1 ZINC001155170317 937644786 /nfs/dbraw/zinc/64/47/86/937644786.db2.gz GAFPTWSWEVHNDV-UHFFFAOYSA-N -2 3 278.659 1.555 20 0 CDADHL Cc1ccc(C(=O)NCc2nc([O-])cc(=O)[n-]2)c(F)c1F ZINC001413345727 935993748 /nfs/dbraw/zinc/99/37/48/935993748.db2.gz SJWXENGDWQTLTR-UHFFFAOYSA-N -2 3 295.245 1.404 20 0 CDADHL C[C@@H](OCCP(=O)([O-])[O-])c1cccnc1Cl ZINC001224603696 941774209 /nfs/dbraw/zinc/77/42/09/941774209.db2.gz BHYAOWCKLYCFAK-SSDOTTSWSA-N -2 3 265.633 1.990 20 0 CDADHL [S-]c1[n-]c(O[C@H]2CCn3ccnc32)nc2ncnc1-2 ZINC001226781233 942070961 /nfs/dbraw/zinc/07/09/61/942070961.db2.gz YAEDJSLGUFRUKB-LURJTMIESA-N -2 3 274.309 1.362 20 0 CDADHL COc1ccc(OC[C@H](C)Oc2nc(=O)[n-]c(=O)[n-]2)cc1 ZINC001227571507 942190746 /nfs/dbraw/zinc/19/07/46/942190746.db2.gz VIDXLWSLCGNLFX-QMMMGPOBSA-N -2 3 293.279 1.138 20 0 CDADHL O=c1nc(O[C@H]2CCCN(c3ccccc3)C2)[n-]c(=O)[n-]1 ZINC001227569985 942190889 /nfs/dbraw/zinc/19/08/89/942190889.db2.gz HSPMAPCOMXTBGD-NSHDSACASA-N -2 3 288.307 1.331 20 0 CDADHL COc1ccccc1OC[C@H](C)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227571377 942191337 /nfs/dbraw/zinc/19/13/37/942191337.db2.gz SUMDWCYHBRBCIA-QMMMGPOBSA-N -2 3 293.279 1.138 20 0 CDADHL CCCC[C@@H](CC)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233934538 943693624 /nfs/dbraw/zinc/69/36/24/943693624.db2.gz LGTHCKOUMZSIRF-MRVPVSSYSA-N -2 3 250.302 1.994 20 0 CDADHL O=c1nc2cn[n-]c2c(O[C@@H]2CCc3cccnc32)[n-]1 ZINC001233939088 943695598 /nfs/dbraw/zinc/69/55/98/943695598.db2.gz HMSOKGSQQXJJGK-SECBINFHSA-N -2 3 269.264 1.108 20 0 CDADHL CCc1ccc([O-])c(C(=O)N(CCOC)CCC(=O)[O-])c1 ZINC001593638895 953632030 /nfs/dbraw/zinc/63/20/30/953632030.db2.gz NXOQIMDMNBMSNI-UHFFFAOYSA-N -2 3 295.335 1.518 20 0 CDADHL C[C@H]1CCN(C(=O)c2c([O-])cccc2O)C[C@@H]1C(=O)[O-] ZINC000693495722 954763246 /nfs/dbraw/zinc/76/32/46/954763246.db2.gz LPAVCCRXKIVXSF-IUCAKERBSA-N -2 3 279.292 1.281 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@H]2C=CCCC2)oc1C(=O)[O-] ZINC001327958418 955132918 /nfs/dbraw/zinc/13/29/18/955132918.db2.gz UOXMTPGYPAAIES-VIFPVBQESA-N -2 3 285.321 1.673 20 0 CDADHL O=C([O-])C1CCC(NC(=O)c2cccc3n[n-]nc32)CC1 ZINC001594730402 957036401 /nfs/dbraw/zinc/03/64/01/957036401.db2.gz SRUJARJJQOIEQP-UHFFFAOYSA-N -2 3 288.307 1.331 20 0 CDADHL C[C@H]([N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)C(F)F ZINC000389694671 972241408 /nfs/dbraw/zinc/24/14/08/972241408.db2.gz KTHLSDOOFBSZDK-ZETCQYMHSA-N -2 3 293.291 1.458 20 0 CDADHL O=C([O-])CC[C@@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000126012995 958576969 /nfs/dbraw/zinc/57/69/69/958576969.db2.gz LAQWMOITJLDFRA-JTQLQIEISA-N -2 3 293.319 1.815 20 0 CDADHL CC(C)c1ccc(C(=O)N[C@]2(C(=O)[O-])CCOC2)c([O-])c1 ZINC001573566530 959290862 /nfs/dbraw/zinc/29/08/62/959290862.db2.gz IUJXOWXFIWJFHY-OAHLLOKOSA-N -2 3 293.319 1.489 20 0 CDADHL C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Nc1cccc([O-])c1F ZINC001594227927 959446557 /nfs/dbraw/zinc/44/65/57/959446557.db2.gz XIBMCWNSANUABI-INWYIAFRSA-N -2 3 253.229 1.581 20 0 CDADHL O=C([O-])c1ccc(CNC(=O)c2cccc(O)c2[O-])cc1 ZINC000125990842 967621860 /nfs/dbraw/zinc/62/18/60/967621860.db2.gz HQDHPLJIXPAQQX-UHFFFAOYSA-N -2 3 287.271 1.726 20 0 CDADHL COc1ccc(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])c([O-])c1 ZINC000405212570 973786848 /nfs/dbraw/zinc/78/68/48/973786848.db2.gz LXBZYDAUMAKCKQ-JOYOIKCWSA-N -2 3 293.319 1.774 20 0 CDADHL Nc1ccc(C(=O)O[C@H](C(=O)[O-])C2CC2)c([O-])c1Cl ZINC001605654891 974041822 /nfs/dbraw/zinc/04/18/22/974041822.db2.gz XOCZVNLEQFMFSU-JTQLQIEISA-N -2 3 285.683 1.648 20 0 CDADHL CC(C)OCCO[N-]C(=O)Cc1ccccc1C(=O)[O-] ZINC001591726775 975691742 /nfs/dbraw/zinc/69/17/42/975691742.db2.gz NJFYNMADHYTJGG-UHFFFAOYSA-N -2 3 281.308 1.400 20 0 CDADHL C[C@@H](CC(=O)[N-]OCCCC(=O)[O-])c1ccncc1 ZINC001592251805 977480585 /nfs/dbraw/zinc/48/05/85/977480585.db2.gz IDVVDGIZPLQSJR-JTQLQIEISA-N -2 3 266.297 1.488 20 0 CDADHL CC[C@@](C)(CC(=O)[O-])NC(=O)c1cccc2n[n-]nc21 ZINC001594823878 981978970 /nfs/dbraw/zinc/97/89/70/981978970.db2.gz OZTSIIPHAHWTPZ-ZDUSSCGKSA-N -2 3 276.296 1.331 20 0 CDADHL CC[C@H](C)CO[N-]C(=O)CCc1ocnc1C(=O)[O-] ZINC001594964159 982717128 /nfs/dbraw/zinc/71/71/28/982717128.db2.gz FFWJHJDTOCUIPA-QMMMGPOBSA-N -2 3 270.285 1.399 20 0 CDADHL CC(=O)c1ccc(C(=O)NC2CC(CC(=O)[O-])C2)cc1[O-] ZINC001589275992 985986311 /nfs/dbraw/zinc/98/63/11/985986311.db2.gz OMWYLXPCIAWITK-UHFFFAOYSA-N -2 3 291.303 1.578 20 0 CDADHL CCc1ccc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)c([O-])c1 ZINC001597498483 988045444 /nfs/dbraw/zinc/04/54/44/988045444.db2.gz FVYGHGGRAOXHJQ-CQSZACIVSA-N -2 3 281.283 1.593 20 0 CDADHL CCc1ccc(C(=O)NC[C@H](F)C(=O)[O-])c([O-])c1 ZINC001597500885 988061269 /nfs/dbraw/zinc/06/12/69/988061269.db2.gz AQEAAHFXDQVBRJ-VIFPVBQESA-N -2 3 255.245 1.107 20 0 CDADHL CCc1ccc([O-])c(C(=O)N2CC[C@@](OC)(C(=O)[O-])C2)c1 ZINC001597556305 988288738 /nfs/dbraw/zinc/28/87/38/988288738.db2.gz LFBBMCDPTWEUMS-HNNXBMFYSA-N -2 3 293.319 1.270 20 0 CDADHL CSc1ccc([O-])c(C(=O)NC/C=C(\C)C(=O)[O-])c1 ZINC001599820012 988495965 /nfs/dbraw/zinc/49/59/65/988495965.db2.gz NNLMJKCYFMJUEI-VMPITWQZSA-N -2 3 281.333 1.875 20 0 CDADHL CSc1nc(NC(=O)Cc2ccc(C(=O)[O-])cc2)n[n-]1 ZINC001599829276 988645245 /nfs/dbraw/zinc/64/52/45/988645245.db2.gz QWVJUEAPGSVDLS-UHFFFAOYSA-N -2 3 292.320 1.406 20 0 CDADHL CO[C@@H]1CCC[C@@H](CC(=O)[N-]OCCCC(=O)[O-])C1 ZINC001599111197 997571331 /nfs/dbraw/zinc/57/13/31/997571331.db2.gz BQXWIVJWTVBBKG-GHMZBOCLSA-N -2 3 273.329 1.494 20 0 CDADHL Cc1c(Cl)cnc(N[C@@H](C)C(=O)[O-])c1-c1nnn[n-]1 ZINC001605491984 1163585406 /nfs/dbraw/zinc/58/54/06/1163585406.db2.gz OHHNHAQYXAUJGF-YFKPBYRVSA-N -2 3 282.691 1.109 20 0 CDADHL Cc1c(Cl)cnc(N[C@@H](C)C(=O)[O-])c1-c1nn[n-]n1 ZINC001605491984 1163585411 /nfs/dbraw/zinc/58/54/11/1163585411.db2.gz OHHNHAQYXAUJGF-YFKPBYRVSA-N -2 3 282.691 1.109 20 0 CDADHL CCOC(=O)c1cnc(NC(=O)c2cccc(C)c2[O-])[n-]1 ZINC000585681808 342453375 /nfs/dbraw/zinc/45/33/75/342453375.db2.gz LFKPNWSRLSPJRO-UHFFFAOYSA-N -2 3 289.291 1.853 20 0 CDADHL CCOC(=O)c1c[n-]c(NC(=O)c2cccc(C)c2[O-])n1 ZINC000585681808 342453376 /nfs/dbraw/zinc/45/33/76/342453376.db2.gz LFKPNWSRLSPJRO-UHFFFAOYSA-N -2 3 289.291 1.853 20 0 CDADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccco1 ZINC000296821808 529463326 /nfs/dbraw/zinc/46/33/26/529463326.db2.gz APNGJPBUFWUAOX-QMMMGPOBSA-N -2 3 261.299 1.201 20 0 CDADHL Cc1oc(C)c(S(=O)(=O)[N-]CCCF)c1C(=O)[O-] ZINC000302358011 345518258 /nfs/dbraw/zinc/51/82/58/345518258.db2.gz JNMZQWFJVMPJTD-UHFFFAOYSA-N -2 3 279.289 1.233 20 0 CDADHL Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])c([O-])c1 ZINC000085321249 179014946 /nfs/dbraw/zinc/01/49/46/179014946.db2.gz IQVJZRDMMVSUKL-GXSJLCMTSA-N -2 3 263.293 1.684 20 0 CDADHL O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1[O-] ZINC000085323350 179016614 /nfs/dbraw/zinc/01/66/14/179016614.db2.gz XFUHQJDGGDLURT-KOLCDFICSA-N -2 3 263.293 1.765 20 0 CDADHL CC[C@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)C(=O)[O-] ZINC000274883294 365840879 /nfs/dbraw/zinc/84/08/79/365840879.db2.gz DGTMMFRTOHVIKP-VIFPVBQESA-N -2 3 295.719 1.621 20 0 CDADHL CC(C)c1cc(=O)n(-c2cn[n-]c(=O)c2Cl)[n-]1 ZINC000614185625 348027996 /nfs/dbraw/zinc/02/79/96/348027996.db2.gz QTKSKXRDWGIGHS-UHFFFAOYSA-N -2 3 254.677 1.584 20 0 CDADHL CCC[C@H](C[N-]S(=O)(=O)c1c(C)noc1C)C(=O)[O-] ZINC000087501553 349247902 /nfs/dbraw/zinc/24/79/02/349247902.db2.gz VWDMZTUUKMXCRP-SECBINFHSA-N -2 3 290.341 1.071 20 0 CDADHL C[C@H]1CCc2[n-]n(-c3cn[n-]c(=O)c3Cl)c(=O)c2C1 ZINC000634587775 356468399 /nfs/dbraw/zinc/46/83/99/356468399.db2.gz ZBFWUGRHHYLOJN-NKWVEPMBSA-N -2 3 280.715 1.974 20 0 CDADHL O=C([O-])CCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000036965457 356892289 /nfs/dbraw/zinc/89/22/89/356892289.db2.gz LBHKHWBPUCDRNN-UHFFFAOYSA-N -2 3 295.719 1.622 20 0 CDADHL O=S(=O)([N-]c1cc(F)ccc1[O-])N1CCCCC1 ZINC000085203638 358255615 /nfs/dbraw/zinc/25/56/15/358255615.db2.gz SSZQAFHIAIRFSK-UHFFFAOYSA-N -2 3 274.317 1.674 20 0 CDADHL CCO[N-]C(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000298133323 200341499 /nfs/dbraw/zinc/34/14/99/200341499.db2.gz KOUZOCWGGDWLJA-UHFFFAOYSA-N -2 3 293.348 1.143 20 0 CDADHL Cc1nc(=NC(=O)c2cc(C(C)C)c([O-])cc2C)[n-]n1C ZINC000436733401 361566769 /nfs/dbraw/zinc/56/67/69/361566769.db2.gz WXLPFPKFLJRRQY-UHFFFAOYSA-N -2 3 288.351 1.935 20 0 CDADHL CCC(=O)c1ccc([O-])c(NC(=O)c2nc[n-]n2)c1 ZINC000436646577 361548392 /nfs/dbraw/zinc/54/83/92/361548392.db2.gz HEVOMVFNDSZUQB-UHFFFAOYSA-N -2 3 260.253 1.355 20 0 CDADHL CO[C@@H](C)CS(=O)(=O)[N-]c1cccc(C)c1C(=O)[O-] ZINC000282183554 367762613 /nfs/dbraw/zinc/76/26/13/367762613.db2.gz JUFSZPWCRARVST-VIFPVBQESA-N -2 3 287.337 1.470 20 0 CDADHL Cc1ccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])O2)c([O-])c1 ZINC000275940282 193168268 /nfs/dbraw/zinc/16/82/68/193168268.db2.gz CEKPVRJIDRMOLV-GHMZBOCLSA-N -2 3 265.265 1.271 20 0 CDADHL CO[C@@H](C)CS(=O)(=O)[N-]c1c(C)cccc1[O-] ZINC000282321527 367831220 /nfs/dbraw/zinc/83/12/20/367831220.db2.gz ZOOWJHOAGVYSAK-VIFPVBQESA-N -2 3 259.327 1.477 20 0 CDADHL O=C([O-])[C@H]1CC[C@@H](C(=O)Nc2cc(F)ccc2[O-])O1 ZINC000276116028 193217856 /nfs/dbraw/zinc/21/78/56/193217856.db2.gz LADHJTXHJXKJCS-VHSXEESVSA-N -2 3 269.228 1.102 20 0 CDADHL CO[C@H](C)CS(=O)(=O)[N-]c1n[n-]c(SC(C)C)n1 ZINC000330496188 376198228 /nfs/dbraw/zinc/19/82/28/376198228.db2.gz WGKKTTSPNCYPTI-SSDOTTSWSA-N -2 3 294.402 1.082 20 0 CDADHL Cc1cccc2c(=O)c(C(=O)N(C)CCC(=O)[O-])c[n-]c12 ZINC000565303335 370414377 /nfs/dbraw/zinc/41/43/77/370414377.db2.gz MVQDJAQPYJPDAK-UHFFFAOYSA-N -2 3 288.303 1.383 20 0 CDADHL C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)c1ccccc1[O-] ZINC000263376151 370541947 /nfs/dbraw/zinc/54/19/47/370541947.db2.gz WPWJBXGASAQGNX-NXEZZACHSA-N -2 3 263.293 1.718 20 0 CDADHL O=C(C[C@H]1C[C@@H]1c1ccccc1)N=c1ccc([O-])n[n-]1 ZINC000341684385 373897573 /nfs/dbraw/zinc/89/75/73/373897573.db2.gz LTTYNZUVAJNSPT-VXGBXAGGSA-N -2 3 269.304 1.736 20 0 CDADHL CC(C)[C@H](C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000645942713 393413240 /nfs/dbraw/zinc/41/32/40/393413240.db2.gz TTWOYBSQKHXJJY-LURJTMIESA-N -2 3 278.355 1.164 20 0 CDADHL Cc1csc(S(=O)(=O)[N-][C@H](CCF)C(=O)[O-])c1 ZINC000656163997 413065309 /nfs/dbraw/zinc/06/53/09/413065309.db2.gz DVJDKCMPIRSEGK-SSDOTTSWSA-N -2 3 281.330 1.148 20 0 CDADHL O=C([O-])CC1CCN(C(=O)c2ccc3n[n-]nc3c2)CC1 ZINC000093678650 147063105 /nfs/dbraw/zinc/06/31/05/147063105.db2.gz QYZHMYLMNMRISE-UHFFFAOYSA-N -2 3 288.307 1.285 20 0 CDADHL O=C([O-])[C@H](NC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000021955496 171341527 /nfs/dbraw/zinc/34/15/27/171341527.db2.gz QJSBBWHMEIIGLI-CYBMUJFWSA-N -2 3 271.272 1.948 20 0 CDADHL C[C@@]1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1(F)F ZINC000656722462 413609047 /nfs/dbraw/zinc/60/90/47/413609047.db2.gz CJOLUWQXDUSVKF-VIFPVBQESA-N -2 3 295.263 1.301 20 0 CDADHL Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccccc2[O-])o1 ZINC000656934070 413806055 /nfs/dbraw/zinc/80/60/55/413806055.db2.gz VLOVIKCHWIGLQC-SSDOTTSWSA-N -2 3 283.309 1.123 20 0 CDADHL CCN(C(=O)c1ccc(C)cc1[O-])[C@H](C)C(=O)[O-] ZINC000663125838 413967909 /nfs/dbraw/zinc/96/79/09/413967909.db2.gz SLQQVKAAHUGQNH-SECBINFHSA-N -2 3 251.282 1.636 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]CCCC2CC2)oc1C(=O)[O-] ZINC000663428285 414251970 /nfs/dbraw/zinc/25/19/70/414251970.db2.gz QNMOJFVIGFCDEG-UHFFFAOYSA-N -2 3 287.337 1.755 20 0 CDADHL Cc1cc(C[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)on1 ZINC000044993707 175286627 /nfs/dbraw/zinc/28/66/27/175286627.db2.gz JQQIUTOXNJTVCX-UHFFFAOYSA-N -2 3 296.304 1.160 20 0 CDADHL C[C@@H](CN(C)c1ncc(-c2nnn[n-]2)cc1Cl)C(=O)[O-] ZINC001589846576 1173190109 /nfs/dbraw/zinc/19/01/09/1173190109.db2.gz CWSDFXVXGOTXGW-LURJTMIESA-N -2 3 296.718 1.072 20 0 CDADHL C[C@@H](CN(C)c1ncc(-c2nn[n-]n2)cc1Cl)C(=O)[O-] ZINC001589846576 1173190115 /nfs/dbraw/zinc/19/01/15/1173190115.db2.gz CWSDFXVXGOTXGW-LURJTMIESA-N -2 3 296.718 1.072 20 0 CDADHL Cc1cccc([O-])c1[N-]S(=O)(=O)CCOCC1CC1 ZINC000579342443 324159892 /nfs/dbraw/zinc/15/98/92/324159892.db2.gz LPCSIHHOLKJWND-UHFFFAOYSA-N -2 3 285.365 1.869 20 0 CDADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]CCCC1CC1 ZINC000162747105 483021156 /nfs/dbraw/zinc/02/11/56/483021156.db2.gz ALRLUNCLDIBRNB-UHFFFAOYSA-N -2 3 290.366 1.310 20 0 CDADHL Cc1n[n-]c(C)c1S(=O)(=O)Oc1ccccc1C(=O)[O-] ZINC000731032761 575030665 /nfs/dbraw/zinc/03/06/65/575030665.db2.gz NWEBQRQSJCUMGW-UHFFFAOYSA-N -2 3 296.304 1.492 20 0 CDADHL CSc1nnc(NC(=O)c2ccc(NC(=O)[O-])cc2)[n-]1 ZINC000738150433 576043856 /nfs/dbraw/zinc/04/38/56/576043856.db2.gz GTUWZZWNWSQSJH-UHFFFAOYSA-N -2 3 293.308 1.869 20 0 CDADHL CSc1nc(NC(=O)c2ccc(NC(=O)[O-])cc2)n[n-]1 ZINC000738150433 576043859 /nfs/dbraw/zinc/04/38/59/576043859.db2.gz GTUWZZWNWSQSJH-UHFFFAOYSA-N -2 3 293.308 1.869 20 0 CDADHL CSc1n[n-]c(NC(=O)c2ccc(NC(=O)[O-])cc2)n1 ZINC000738150433 576043861 /nfs/dbraw/zinc/04/38/61/576043861.db2.gz GTUWZZWNWSQSJH-UHFFFAOYSA-N -2 3 293.308 1.869 20 0 CDADHL Cc1noc(C(C)C)c1C(=O)[N-]c1n[nH]c(CC(=O)[O-])n1 ZINC000738937541 576138553 /nfs/dbraw/zinc/13/85/53/576138553.db2.gz LPISIGFYOKKTJM-UHFFFAOYSA-N -2 3 293.283 1.104 20 0 CDADHL O=C([O-])CC1(NC(=O)c2ccc(O)cc2[O-])CCC1 ZINC000094290718 601452420 /nfs/dbraw/zinc/45/24/20/601452420.db2.gz RHFMWSBXHVMYAU-UHFFFAOYSA-N -2 3 265.265 1.225 20 0 CDADHL CCc1cccc(C(=O)N2CCN(C(=O)[O-])CC2)c1[O-] ZINC000827595919 603743416 /nfs/dbraw/zinc/74/34/16/603743416.db2.gz QDFGFYDSYJXKME-UHFFFAOYSA-N -2 3 278.308 1.390 20 0 CDADHL O=C([O-])COc1ccc(NC(=O)c2c[n-]nn2)cc1Cl ZINC000833258780 604941183 /nfs/dbraw/zinc/94/11/83/604941183.db2.gz XXAARTOOPGNBSX-UHFFFAOYSA-N -2 3 296.670 1.174 20 0 CDADHL O=C([O-])COc1ccc(NC(=O)c2cn[n-]n2)cc1Cl ZINC000833258780 604941185 /nfs/dbraw/zinc/94/11/85/604941185.db2.gz XXAARTOOPGNBSX-UHFFFAOYSA-N -2 3 296.670 1.174 20 0 CDADHL CCC[C@H](NC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000908210410 628075888 /nfs/dbraw/zinc/07/58/88/628075888.db2.gz UZQRPWOWGKKCKM-JTQLQIEISA-N -2 3 269.272 1.443 20 0 CDADHL C[C@@](CCF)(NC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909974134 628788774 /nfs/dbraw/zinc/78/87/74/628788774.db2.gz OLSRHFUTIPXXBK-ZDUSSCGKSA-N -2 3 287.262 1.393 20 0 CDADHL C[C@](CC(=O)[O-])(NC(=O)Cc1ccc([O-])c(F)c1)C1CC1 ZINC000910319419 628992592 /nfs/dbraw/zinc/99/25/92/628992592.db2.gz QIKONFAQEBOLHY-OAHLLOKOSA-N -2 3 295.310 1.833 20 0 CDADHL O=C([O-])C1CC(NC(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000910337696 629014054 /nfs/dbraw/zinc/01/40/54/629014054.db2.gz LDJKYDJTXPCWCR-UHFFFAOYSA-N -2 3 295.310 1.833 20 0 CDADHL O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)[N-]OCCC1CC1 ZINC000911812141 629544936 /nfs/dbraw/zinc/54/49/36/629544936.db2.gz ZESDRLBOKBXUDW-WDEREUQCSA-N -2 3 271.313 1.104 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]CC[C@@H]2CC[C@@H]3C[C@@H]32)c1 ZINC000716981232 685319575 /nfs/dbraw/zinc/31/95/75/685319575.db2.gz UFZZAOYEQPOVEB-IQJOONFLSA-N -2 3 299.348 1.692 20 0 CDADHL CC(C)(C)CC[C@@H](NC(=O)c1ccc(N)cc1[O-])C(=O)[O-] ZINC000841845374 686287158 /nfs/dbraw/zinc/28/71/58/686287158.db2.gz UTYCYMSZTXHEMG-LLVKDONJSA-N -2 3 294.351 1.984 20 0 CDADHL Nc1ccc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])c([O-])c1 ZINC000849366407 687012581 /nfs/dbraw/zinc/01/25/81/687012581.db2.gz XNZZWHMIPSVNGW-SNVBAGLBSA-N -2 3 278.308 1.444 20 0 CDADHL C[C@H](CC[N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000129254962 687906052 /nfs/dbraw/zinc/90/60/52/687906052.db2.gz HDYMJWXCVVBRRP-SSDOTTSWSA-N -2 3 292.744 1.124 20 0 CDADHL COc1cc(C(=O)[N-]c2cc(C(=O)[O-])cs2)on1 ZINC000191350734 688056299 /nfs/dbraw/zinc/05/62/99/688056299.db2.gz GTKVLBZQRIZXES-UHFFFAOYSA-N -2 3 268.250 1.695 20 0 CDADHL CCc1ccc(C(=O)N[C@@H](C)/C=C/C(=O)[O-])c([O-])c1 ZINC001605804848 1163677764 /nfs/dbraw/zinc/67/77/64/1163677764.db2.gz NQUMWJZQNYAJHE-IYNCYZAOSA-N -2 3 263.293 1.714 20 0 CDADHL CCc1ccc([O-])c(C(=O)N(CC)CC(=O)[O-])c1 ZINC001605821496 1163680152 /nfs/dbraw/zinc/68/01/52/1163680152.db2.gz JEZYFJWFQQSKHW-UHFFFAOYSA-N -2 3 251.282 1.501 20 0 CDADHL COC(=O)c1cc(C(=O)O[C@@H](C(=O)[O-])C(C)C)c[n-]1 ZINC001606537788 1163926345 /nfs/dbraw/zinc/92/63/45/1163926345.db2.gz TYBPELDDYFMFBC-SECBINFHSA-N -2 3 269.253 1.067 20 0 CDADHL O=C([O-])[C@@H]1CC[C@@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC001608490629 1164526131 /nfs/dbraw/zinc/52/61/31/1164526131.db2.gz REIRKMVNWKPNMP-KOLCDFICSA-N -2 3 286.287 1.121 20 0 CDADHL O=C([O-])C(=O)CCCOC(=O)c1cc2occc2[n-]1 ZINC001608528586 1164532805 /nfs/dbraw/zinc/53/28/05/1164532805.db2.gz JVIONIROYXEKFJ-UHFFFAOYSA-N -2 3 265.221 1.352 20 0 CDADHL O=C([O-])[C@H](C[N-]C(=O)C(F)(F)F)C1CCCCC1 ZINC001608532670 1164534925 /nfs/dbraw/zinc/53/49/25/1164534925.db2.gz GOZFTTKSCNAHNQ-MRVPVSSYSA-N -2 3 267.247 1.946 20 0 CDADHL O=C([O-])[C@@H](SCCc1nnn[n-]1)c1ccc(F)cc1 ZINC001608558517 1164544943 /nfs/dbraw/zinc/54/49/43/1164544943.db2.gz VZNHZUFEPWMTBC-JTQLQIEISA-N -2 3 282.300 1.440 20 0 CDADHL O=C([O-])[C@@H](SCCc1nn[n-]n1)c1ccc(F)cc1 ZINC001608558517 1164544948 /nfs/dbraw/zinc/54/49/48/1164544948.db2.gz VZNHZUFEPWMTBC-JTQLQIEISA-N -2 3 282.300 1.440 20 0 CDADHL O=C([O-])[C@H](NC(=O)c1ccccc1[O-])c1ccc(O)cc1 ZINC001610679993 1165404683 /nfs/dbraw/zinc/40/46/83/1165404683.db2.gz RKCWVHXYTVTUHD-CYBMUJFWSA-N -2 3 287.271 1.654 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]CC23CCC(CC2)C3)c1 ZINC001610866764 1165468456 /nfs/dbraw/zinc/46/84/56/1165468456.db2.gz FNJDDAAQVGHTGR-UHFFFAOYSA-N -2 3 299.348 1.836 20 0 CDADHL CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000139665846 1166545019 /nfs/dbraw/zinc/54/50/19/1166545019.db2.gz VXHWZWIZTHWJGJ-UHFFFAOYSA-N -2 3 279.264 1.351 20 0 CDADHL O=C([N-]OCC1CC1)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001593169165 1174029489 /nfs/dbraw/zinc/02/94/89/1174029489.db2.gz LRLWLCZHYMHKJQ-UHFFFAOYSA-N -2 3 299.334 1.356 20 0 CDADHL O=C([N-]OCC1CC1)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001593169165 1174029494 /nfs/dbraw/zinc/02/94/94/1174029494.db2.gz LRLWLCZHYMHKJQ-UHFFFAOYSA-N -2 3 299.334 1.356 20 0 CDADHL O=C([O-])c1cccc(CC(=O)[N-]OC2CCCC2)c1 ZINC001601364779 1174847192 /nfs/dbraw/zinc/84/71/92/1174847192.db2.gz KLRJMTUDCYEFMR-UHFFFAOYSA-N -2 3 263.293 1.918 20 0 CDADHL O=C([O-])c1occc1COC(=O)c1cccc2nn[n-]c21 ZINC001602590030 1175312278 /nfs/dbraw/zinc/31/22/78/1175312278.db2.gz ICQHCBAMPJSPGC-UHFFFAOYSA-N -2 3 287.231 1.606 20 0 CDADHL O=C([O-])c1occc1COC(=O)c1cccc2[n-]nnc21 ZINC001602590030 1175312286 /nfs/dbraw/zinc/31/22/86/1175312286.db2.gz ICQHCBAMPJSPGC-UHFFFAOYSA-N -2 3 287.231 1.606 20 0 CDADHL O=C([O-])c1occc1COC(=O)c1cccc2n[n-]nc21 ZINC001602590030 1175312289 /nfs/dbraw/zinc/31/22/89/1175312289.db2.gz ICQHCBAMPJSPGC-UHFFFAOYSA-N -2 3 287.231 1.606 20 0 CDADHL CO[C@H](C)[C@H](NCc1ccc(C(=O)[O-])cc1F)C(=O)[O-] ZINC001607002267 1164057407 /nfs/dbraw/zinc/05/74/07/1164057407.db2.gz BREBGUVCHVFOAJ-HQJQHLMTSA-N -2 3 285.271 1.102 20 0 CDADHL C[C@@H]1C[C@H](C(=O)Nc2c([O-])cccc2Cl)O[C@H]1C(=O)[O-] ZINC001607444369 1164182965 /nfs/dbraw/zinc/18/29/65/1164182965.db2.gz QLFHMZRXDJSOKE-KNBVPPQFSA-N -2 3 299.710 1.862 20 0 CDADHL Cc1[nH]nc(S(=O)(=O)[N-]C2(C3CCC3)CC2)c1C(=O)[O-] ZINC001607939932 1164345566 /nfs/dbraw/zinc/34/55/66/1164345566.db2.gz HZKYUIIVGGMFLQ-UHFFFAOYSA-N -2 3 299.352 1.027 20 0 CDADHL CCc1cccc(C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)c1[O-] ZINC001610065388 1165200159 /nfs/dbraw/zinc/20/01/59/1165200159.db2.gz RHUDRGZZZCCZGW-MWLCHTKSSA-N -2 3 277.320 1.890 20 0 CDADHL O=C([O-])C[C@H]1CN(Cc2c(F)ccc([O-])c2F)CCO1 ZINC001610764147 1165434229 /nfs/dbraw/zinc/43/42/29/1165434229.db2.gz JGTBWPSQXYZKQI-QMMMGPOBSA-N -2 3 287.262 1.346 20 0 CDADHL O=C([O-])c1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)o1 ZINC001610824124 1165455016 /nfs/dbraw/zinc/45/50/16/1165455016.db2.gz ICACJYRZFBBYMK-DUXPYHPUSA-N -3 3 276.204 1.342 20 0 CDADHL CCc1cc(=O)[n-]c(CS[C@H](CC)C(=O)[O-])n1 ZINC001610423657 970742838 /nfs/dbraw/zinc/74/28/38/970742838.db2.gz ZFEXNWYSBYCGKX-MRVPVSSYSA-N -2 3 256.327 1.841 20 0 CDADHL COc1nonc1[N-]c1ccc(C(=O)[O-])cc1OC ZINC001174670998 913277684 /nfs/dbraw/zinc/27/76/84/913277684.db2.gz PEFFPQLJXYUNGH-UHFFFAOYSA-N -2 3 265.225 1.529 20 0 CDADHL CSc1nc(NC(=O)c2ccncc2[O-])cc(=O)[n-]1 ZINC001188628690 921131983 /nfs/dbraw/zinc/13/19/83/921131983.db2.gz HMELVSWXMPAIAL-UHFFFAOYSA-N -2 3 278.293 1.257 20 0 CDADHL CC1(C)C[C@H](C[N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-])O1 ZINC001180176794 916173568 /nfs/dbraw/zinc/17/35/68/916173568.db2.gz OSEVIXGCBYQQOP-RXMQYKEDSA-N -2 3 287.209 1.025 20 0 CDADHL O=S(=O)([N-]c1cncc([O-])c1)c1cccnc1Cl ZINC001184835275 919306849 /nfs/dbraw/zinc/30/68/49/919306849.db2.gz WCFNOZZOZRZQHO-UHFFFAOYSA-N -2 3 285.712 1.636 20 0 CDADHL O=S(=O)([N-]c1cncc([O-])c1)c1ncc(F)cc1F ZINC001190141556 921846155 /nfs/dbraw/zinc/84/61/55/921846155.db2.gz QMFZYXXWLIOMEO-UHFFFAOYSA-N -2 3 287.247 1.261 20 0 CDADHL O=S(=O)([N-]c1ccc(F)c([O-])c1)c1ccncc1 ZINC001190888651 922277070 /nfs/dbraw/zinc/27/70/70/922277070.db2.gz YLIRROZTABNDBV-UHFFFAOYSA-N -2 3 268.269 1.727 20 0 CDADHL CC[C@H](C)COC(=O)NCCCCP(=O)([O-])[O-] ZINC001194825769 924359156 /nfs/dbraw/zinc/35/91/56/924359156.db2.gz GIJSUZJFCKSSMF-VIFPVBQESA-N -2 3 267.262 1.717 20 0 CDADHL O=P([O-])([O-])CCCCOC[C@@H]1CCCCO1 ZINC001225018847 941814983 /nfs/dbraw/zinc/81/49/83/941814983.db2.gz JGPYKSZGPMTGJI-JTQLQIEISA-N -2 3 252.247 1.530 20 0 CDADHL Cc1ccc2c(c1)CC[C@H]2Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227565966 942189913 /nfs/dbraw/zinc/18/99/13/942189913.db2.gz DMSQRPJULWNCBZ-SNVBAGLBSA-N -2 3 259.265 1.658 20 0 CDADHL C[C@@H]1C[C@H](Oc2nc(=O)[n-]c(=O)[n-]2)CC(C)(C)C1 ZINC001227569229 942191170 /nfs/dbraw/zinc/19/11/70/942191170.db2.gz VWADNNGZZIMZOM-SFYZADRCSA-N -2 3 253.302 1.876 20 0 CDADHL Cc1cc([O-])c(Cl)cc1OC(=O)[C@H](O)CCC(=O)[O-] ZINC001233591987 943623819 /nfs/dbraw/zinc/62/38/19/943623819.db2.gz IUACMMKYAFVDER-MRVPVSSYSA-N -2 3 288.683 1.485 20 0 CDADHL CC(=O)c1ccc(S(=O)(=O)[N-]c2cncc([O-])c2)cc1 ZINC001259171703 945495357 /nfs/dbraw/zinc/49/53/57/945495357.db2.gz FJUVFQQUSUHWPH-UHFFFAOYSA-N -2 3 292.316 1.791 20 0 CDADHL CN(C)c1ccc(-c2cc(=O)n(-c3cc(=O)[n-]cn3)[n-]2)cc1 ZINC001245943743 947861605 /nfs/dbraw/zinc/86/16/05/947861605.db2.gz KEOMUWZLXIBVCY-UHFFFAOYSA-N -2 3 297.318 1.807 20 0 CDADHL COC(=O)c1cccc([O-])c1[N-]S(=O)(=O)C(F)(F)F ZINC001252355378 951211938 /nfs/dbraw/zinc/21/19/38/951211938.db2.gz QODMKNQNEOQXDW-UHFFFAOYSA-N -2 3 299.226 1.440 20 0 CDADHL Cc1[nH]nc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)c1[O-] ZINC001298307148 955171600 /nfs/dbraw/zinc/17/16/00/955171600.db2.gz WJLWMTUQFISSQM-UHFFFAOYSA-N -2 3 273.252 1.258 20 0 CDADHL C[C@](O)(CNC(=O)c1cc2sccc2c([O-])c1)C(=O)[O-] ZINC001589144912 956284908 /nfs/dbraw/zinc/28/49/08/956284908.db2.gz YTDFPALNHQUBEC-ZDUSSCGKSA-N -2 3 295.316 1.172 20 0 CDADHL O=C([O-])CC1(NC(=O)c2ccc(O)cc2[O-])CCCC1 ZINC000084142550 957858930 /nfs/dbraw/zinc/85/89/30/957858930.db2.gz RIPGFPSYNPBTTE-UHFFFAOYSA-N -2 3 279.292 1.615 20 0 CDADHL O=C([O-])c1cc(C(=O)Nc2cccc([O-])c2F)[nH]n1 ZINC001574602157 962169573 /nfs/dbraw/zinc/16/95/73/962169573.db2.gz VDCPPGVIDRQBML-UHFFFAOYSA-N -2 3 265.200 1.205 20 0 CDADHL O=C([O-])[C@H](CC1CC1)NC(=O)c1ccc(O)cc1[O-] ZINC000311740791 963508637 /nfs/dbraw/zinc/50/86/37/963508637.db2.gz XSLQQMPYSHASDS-JTQLQIEISA-N -2 3 265.265 1.081 20 0 CDADHL CC(C)[C@H]([N-]C(=O)C(F)(F)c1nccs1)C(=O)[O-] ZINC001591861950 976160410 /nfs/dbraw/zinc/16/04/10/976160410.db2.gz OHPYSCDHHLKECR-LURJTMIESA-N -2 3 278.280 1.460 20 0 CDADHL CC(C)C1([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000694157775 976673137 /nfs/dbraw/zinc/67/31/37/976673137.db2.gz AKTQBRJGRURNPS-UHFFFAOYSA-N -2 3 273.310 1.445 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]CCc2ccco2)c1 ZINC000694189200 976677962 /nfs/dbraw/zinc/67/79/62/976677962.db2.gz PCBNTVZOTBPEOV-UHFFFAOYSA-N -2 3 285.277 1.092 20 0 CDADHL CCC1([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CCCC1 ZINC000710672247 977518814 /nfs/dbraw/zinc/51/88/14/977518814.db2.gz ZWOHFEAJBKZHPV-UHFFFAOYSA-N -2 3 287.337 1.979 20 0 CDADHL CCc1ccc(C(=O)N[C@H](C)CC(=O)[O-])c([O-])c1 ZINC001597500884 988061142 /nfs/dbraw/zinc/06/11/42/988061142.db2.gz ALOSHWVPFXCEBN-MRVPVSSYSA-N -2 3 251.282 1.548 20 0 CDADHL CCc1cccc(C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)c1[O-] ZINC001597570556 988346883 /nfs/dbraw/zinc/34/68/83/988346883.db2.gz PKKISKHHCKPLSY-PHIMTYICSA-N -2 3 277.320 1.890 20 0 CDADHL CC(C)[C@]1(C)C[C@H]1[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001591061316 991499811 /nfs/dbraw/zinc/49/98/11/991499811.db2.gz GPUBOYQUQMOAPO-SKDRFNHKSA-N -2 3 287.337 1.691 20 0 CDADHL O=C(c1ccc([O-])cc1F)N1CCc2c(=O)[n-]cnc2C1 ZINC000584685381 346403060 /nfs/dbraw/zinc/40/30/60/346403060.db2.gz XUEPTBMHWJMOCU-UHFFFAOYSA-N -2 3 289.266 1.225 20 0 CDADHL CCC1([N-]S(=O)(=O)c2scnc2C(=O)[O-])CCC1 ZINC000229471743 346553371 /nfs/dbraw/zinc/55/33/71/346553371.db2.gz PCBCOPKIOXWQGA-UHFFFAOYSA-N -2 3 290.366 1.452 20 0 CDADHL CC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1F)C(=O)[O-] ZINC000274920689 365854390 /nfs/dbraw/zinc/85/43/90/365854390.db2.gz MWOPYMUPLOCYFU-SECBINFHSA-N -2 3 275.301 1.276 20 0 CDADHL Cc1cccc(F)c1S(=O)(=O)[N-]CC(C)(C)C(=O)[O-] ZINC000275225059 365968581 /nfs/dbraw/zinc/96/85/81/365968581.db2.gz IUTBWUWZUJPFQT-UHFFFAOYSA-N -2 3 289.328 1.523 20 0 CDADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]CC(C)(C)F ZINC000634654047 356641818 /nfs/dbraw/zinc/64/18/18/356641818.db2.gz UCUMRRKHDFAFPV-UHFFFAOYSA-N -2 3 279.289 1.313 20 0 CDADHL CCC[C@H](NC(=O)c1ccc(OC)cc1[O-])C(=O)[O-] ZINC000036831728 356886172 /nfs/dbraw/zinc/88/61/72/356886172.db2.gz SAHVDYSBXMKASY-JTQLQIEISA-N -2 3 267.281 1.384 20 0 CDADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(C)noc1C ZINC000297326501 200150138 /nfs/dbraw/zinc/15/01/38/200150138.db2.gz XHMVHGNUUPKCPA-SECBINFHSA-N -2 3 290.341 1.213 20 0 CDADHL O=c1nc(CSc2nc[n-]n2)[n-]c2ccsc21 ZINC000338152526 360722368 /nfs/dbraw/zinc/72/23/68/360722368.db2.gz ANTILSDHTVGVET-UHFFFAOYSA-N -2 3 265.323 1.807 20 0 CDADHL Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc([O-])c(Cl)c1 ZINC000436797831 361576267 /nfs/dbraw/zinc/57/62/67/361576267.db2.gz PNULYNGCHKBJJS-UHFFFAOYSA-N -2 3 295.682 1.808 20 0 CDADHL O=C(c1cc(F)ccc1[O-])N1CCc2c(=O)[n-]cnc2C1 ZINC000436829841 361585406 /nfs/dbraw/zinc/58/54/06/361585406.db2.gz MYGUKUGCTPLWOX-UHFFFAOYSA-N -2 3 289.266 1.225 20 0 CDADHL CO[C@H](C)CS(=O)(=O)[N-]c1cccc(C(C)=O)c1[O-] ZINC000573762776 371650399 /nfs/dbraw/zinc/65/03/99/371650399.db2.gz BWPGFRYEUMKBNH-MRVPVSSYSA-N -2 3 287.337 1.371 20 0 CDADHL CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000084147126 373664155 /nfs/dbraw/zinc/66/41/55/373664155.db2.gz NPUANHFTFNAKLT-UHFFFAOYSA-N -2 3 293.291 1.496 20 0 CDADHL O=C([O-])C1([N-]C(=O)C(F)(F)c2ccccc2)CC1 ZINC000263188132 190066965 /nfs/dbraw/zinc/06/69/65/190066965.db2.gz XGVJUSFQMXWGLL-UHFFFAOYSA-N -2 3 255.220 1.512 20 0 CDADHL O=C([O-])[C@@H]1CC[C@@H](C(=O)Nc2cc(Cl)ccc2[O-])O1 ZINC000442666572 392282519 /nfs/dbraw/zinc/28/25/19/392282519.db2.gz RUHKXMBJTUQISR-UWVGGRQHSA-N -2 3 285.683 1.616 20 0 CDADHL C[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C1CCC1 ZINC000645971434 393440792 /nfs/dbraw/zinc/44/07/92/393440792.db2.gz WYAJQTJCIAMPEI-LURJTMIESA-N -2 3 290.366 1.308 20 0 CDADHL O=C([O-])CCS(=O)(=O)[N-]c1cccc(Cl)c1F ZINC000020472496 171216083 /nfs/dbraw/zinc/21/60/83/171216083.db2.gz LZPFLIWUWBAIJN-UHFFFAOYSA-N -2 3 281.692 1.696 20 0 CDADHL Cc1cccc(C(=O)NC2(C(=O)[O-])CCCC2)c1[O-] ZINC000037329759 173131364 /nfs/dbraw/zinc/13/13/64/173131364.db2.gz GOBNJDANKUZXAV-UHFFFAOYSA-N -2 3 263.293 1.828 20 0 CDADHL O=C([O-])CCCCC[N-]S(=O)(=O)c1cncc(F)c1 ZINC000044260344 175156778 /nfs/dbraw/zinc/15/67/78/175156778.db2.gz JNZZYMGJHQZKSQ-UHFFFAOYSA-N -2 3 290.316 1.144 20 0 CDADHL CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccs1 ZINC000136248441 279825831 /nfs/dbraw/zinc/82/58/31/279825831.db2.gz QBNQYOUQNFRXEY-MRVPVSSYSA-N -2 3 277.367 1.526 20 0 CDADHL CC[C@](C)(C[N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000565886139 293702753 /nfs/dbraw/zinc/70/27/53/293702753.db2.gz OUZDWSYRCQCDKA-SNVBAGLBSA-N -2 3 261.299 1.059 20 0 CDADHL Cc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1 ZINC000263365811 301651911 /nfs/dbraw/zinc/65/19/11/301651911.db2.gz TVNHYFJSWRNIIY-GHMZBOCLSA-N -2 3 277.320 1.883 20 0 CDADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2ccsc2)o1 ZINC000576094877 317073051 /nfs/dbraw/zinc/07/30/51/317073051.db2.gz BXSMWRPXTUPNTO-UHFFFAOYSA-N -2 3 287.318 1.518 20 0 CDADHL CS(=O)(=O)[N-]c1n[n-]c(SCc2ccccc2)n1 ZINC000006415940 323206696 /nfs/dbraw/zinc/20/66/96/323206696.db2.gz MXHXVQAHEJGHSW-UHFFFAOYSA-N -2 3 284.366 1.469 20 0 CDADHL Cc1nocc1[N-]C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592466484 1173897507 /nfs/dbraw/zinc/89/75/07/1173897507.db2.gz YSDUJBLALSDKNT-UHFFFAOYSA-N -2 3 260.213 1.008 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]CCC(F)F)oc1C(=O)[O-] ZINC001600299302 1174439960 /nfs/dbraw/zinc/43/99/60/1174439960.db2.gz XDISBOFKQWWUKY-UHFFFAOYSA-N -2 3 283.252 1.220 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2[C@@H]2C[C@H]2C)oc1C(=O)[O-] ZINC001600300528 1174441822 /nfs/dbraw/zinc/44/18/22/1174441822.db2.gz WXOIPZKQJDUVRN-SFKDOBOXSA-N -2 3 299.348 1.609 20 0 CDADHL Cc1cccc([O-])c1C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001600542519 1174501391 /nfs/dbraw/zinc/50/13/91/1174501391.db2.gz FMRCPRJVOOEIAQ-FTGAXOIBSA-N -2 3 275.304 1.684 20 0 CDADHL O=C([O-])c1ncoc1CCC(=O)Nc1cccc([O-])c1F ZINC001601298436 1174829061 /nfs/dbraw/zinc/82/90/61/1174829061.db2.gz XHVMQNKCUWJHJT-UHFFFAOYSA-N -2 3 294.238 1.789 20 0 CDADHL CCCCn1c(=O)[n-]nc1SC/C=C(\C)C(=O)[O-] ZINC000737009092 575793036 /nfs/dbraw/zinc/79/30/36/575793036.db2.gz NUAOLZSSPXBBML-VMPITWQZSA-N -2 3 271.342 1.907 20 0 CDADHL O=C([O-])NCCOC(=O)c1cc2ccsc2[n-]1 ZINC000739973967 576405986 /nfs/dbraw/zinc/40/59/86/576405986.db2.gz UIVKZLJUXOXYRW-UHFFFAOYSA-N -2 3 254.267 1.654 20 0 CDADHL O=C([O-])CC[C@@H]1CCCCN1Cc1cc(C(=O)[O-])no1 ZINC001601974310 1175092840 /nfs/dbraw/zinc/09/28/40/1175092840.db2.gz AREJSYDAGFJXLO-VIFPVBQESA-N -2 3 282.296 1.592 20 0 CDADHL O=C([O-])CCC1CCN(Cc2ccc(C(=O)[O-])cn2)CC1 ZINC001601978063 1175093901 /nfs/dbraw/zinc/09/39/01/1175093901.db2.gz RUGCSFCRKIJWOP-UHFFFAOYSA-N -2 3 292.335 1.857 20 0 CDADHL O=C([O-])[C@@H]1CCCCN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC000821509084 598149048 /nfs/dbraw/zinc/14/90/48/598149048.db2.gz WTGVSNGKXDIFMS-VIFPVBQESA-N -2 3 293.275 1.200 20 0 CDADHL Cc1nc(C)c(CC(=O)O[C@@H](CC(C)C)C(=O)[O-])c(=O)[n-]1 ZINC000832994997 600949816 /nfs/dbraw/zinc/94/98/16/600949816.db2.gz TXMGBLUHOMFTST-NSHDSACASA-N -2 3 296.323 1.384 20 0 CDADHL O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ccncc2[O-])C1 ZINC000833188588 601210845 /nfs/dbraw/zinc/21/08/45/601210845.db2.gz ZPBRLTYHNQURTA-BDAKNGLRSA-N -2 3 264.281 1.039 20 0 CDADHL CCc1cccc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)c1[O-] ZINC000830260247 601758967 /nfs/dbraw/zinc/75/89/67/601758967.db2.gz YUDOGKBJYURRQV-CQSZACIVSA-N -2 3 281.283 1.593 20 0 CDADHL Cc1ccc(-c2nc(NC(=O)[C@H]3C[C@H]3C(=O)[O-])n[n-]2)o1 ZINC000832907539 602144013 /nfs/dbraw/zinc/14/40/13/602144013.db2.gz BJYARBXYVJLMIL-NKWVEPMBSA-N -2 3 276.252 1.032 20 0 CDADHL CC(F)(F)C(=O)[N-][C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000902861736 625551040 /nfs/dbraw/zinc/55/10/40/625551040.db2.gz BEBSKKRXIAUPSX-MRVPVSSYSA-N -2 3 261.199 1.723 20 0 CDADHL O=C([O-])[C@H](NC(=O)Cc1ccc([O-])c(F)c1)C1CC1 ZINC000909040072 628474933 /nfs/dbraw/zinc/47/49/33/628474933.db2.gz QIJWVFSGKZQHLK-GFCCVEGCSA-N -2 3 267.256 1.053 20 0 CDADHL CC(C)[C@@H](CO)O[N-]C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000911815614 629509348 /nfs/dbraw/zinc/50/93/48/629509348.db2.gz XKPQTEGYYDFPCS-LLVKDONJSA-N -2 3 287.356 1.476 20 0 CDADHL O=C([O-])CSc1ccc(-c2nn[n-]n2)cc1F ZINC000095152409 1158536379 /nfs/dbraw/zinc/53/63/79/1158536379.db2.gz AXSWCGFQMJPFKB-UHFFFAOYSA-N -2 3 254.246 1.183 20 0 CDADHL Cc1ccc(Cl)cc1S(=O)(=O)[N-][N-]C(=O)C(C)C ZINC000031666614 688480309 /nfs/dbraw/zinc/48/03/09/688480309.db2.gz IKZYKQRWTOXYGL-UHFFFAOYSA-N -2 3 290.772 1.614 20 0 CDADHL CC[C@H](CNC(=O)c1cc([O-])ccc1Cl)C(=O)[O-] ZINC000234036987 692390486 /nfs/dbraw/zinc/39/04/86/692390486.db2.gz DIJSGRBFDWMCTR-SSDOTTSWSA-N -2 3 271.700 1.886 20 0 CDADHL C[C@H]1CN(C(=O)c2ccccc2[O-])CC[C@@H]1C(=O)[O-] ZINC000306001647 692844721 /nfs/dbraw/zinc/84/47/21/692844721.db2.gz GTLFMSFOWULONN-UWVGGRQHSA-N -2 3 263.293 1.575 20 0 CDADHL O=C(NCCCc1cc(=O)[nH][n-]1)c1cc(F)cc(F)c1[O-] ZINC000936008654 692846359 /nfs/dbraw/zinc/84/63/59/692846359.db2.gz NMICYVVAGGEHHU-UHFFFAOYSA-N -2 3 297.261 1.056 20 0 CDADHL C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871993368 692897477 /nfs/dbraw/zinc/89/74/77/692897477.db2.gz MFORKNYIZLFXPJ-SCZZXKLOSA-N -2 3 287.337 1.835 20 0 CDADHL Cc1ccc(F)c(S(=O)(=O)[N-][N-]C(=O)C(C)C)c1 ZINC000048653506 694884573 /nfs/dbraw/zinc/88/45/73/694884573.db2.gz ZWDJHGFJOWRVRP-UHFFFAOYSA-N -2 3 274.317 1.100 20 0 CDADHL CCC(F)(F)C[N-]S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001605064752 1163439122 /nfs/dbraw/zinc/43/91/22/1163439122.db2.gz CLHKNXZTAPKDTA-UHFFFAOYSA-N -2 3 294.279 1.103 20 0 CDADHL Cc1cc(=O)[n-]c(N2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)n1 ZINC001607698234 1164272881 /nfs/dbraw/zinc/27/28/81/1164272881.db2.gz AUUCIXKPENQSLO-RNCFNFMXSA-N -2 3 263.297 1.324 20 0 CDADHL O=C([O-])c1coc(/C=C/C(=O)[N-]OC/C=C/Cl)c1 ZINC001608285929 1164480575 /nfs/dbraw/zinc/48/05/75/1164480575.db2.gz YCIZSQVDABYGIN-DXLKSGPOSA-N -2 3 271.656 1.791 20 0 CDADHL O=C([O-])C[C@@H](CNCc1c(F)cccc1Cl)C(=O)[O-] ZINC001646239761 1167718941 /nfs/dbraw/zinc/71/89/41/1167718941.db2.gz WZZCXRKDCWHQKA-ZETCQYMHSA-N -2 3 289.690 1.744 20 0 CDADHL O=C([O-])c1nnc(Sc2cc(Cl)nc(=O)[n-]2)s1 ZINC001574423233 1170978565 /nfs/dbraw/zinc/97/85/65/1170978565.db2.gz MVVWYFDEANXXNW-UHFFFAOYSA-N -2 3 290.713 1.537 20 0 CDADHL Cc1ccc(N[C@H](C(=O)[O-])C(C)C)nc1-c1nnn[n-]1 ZINC001592185808 1173831516 /nfs/dbraw/zinc/83/15/16/1173831516.db2.gz CKWQZWAOGHBKMN-VIFPVBQESA-N -2 3 276.300 1.091 20 0 CDADHL O=C([O-])[C@@H](CC1CC1)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC001601409251 1174860279 /nfs/dbraw/zinc/86/02/79/1174860279.db2.gz XZFDQYLRKNNXHB-SNVBAGLBSA-N -2 3 292.270 1.080 20 0 CDADHL O=C([O-])[C@]1(c2ccccc2)CCN(c2cc(=O)[n-]cn2)C1 ZINC001601728191 1174970428 /nfs/dbraw/zinc/97/04/28/1174970428.db2.gz JIEKOQIPGOVZBY-OAHLLOKOSA-N -2 3 285.303 1.415 20 0 CDADHL C[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2)CC[C@H]1C(=O)[O-] ZINC001603939113 1175691338 /nfs/dbraw/zinc/69/13/38/1175691338.db2.gz JTEXPYZQZQGHPR-JOYOIKCWSA-N -2 3 287.323 1.414 20 0 CDADHL Cc1cc(Nc2c(N)[nH]c(=O)[n-]c2=O)ccc1C(=O)[O-] ZINC001211649877 899164014 /nfs/dbraw/zinc/16/40/14/899164014.db2.gz DBRDVHQXTYVTLG-UHFFFAOYSA-N -2 3 276.252 1.220 20 0 CDADHL O=C(Nc1ncccc1[O-])c1ccccc1S(=O)(=O)[O-] ZINC001189669437 921593659 /nfs/dbraw/zinc/59/36/59/921593659.db2.gz ZNFARFIQSSIVDB-UHFFFAOYSA-N -2 3 294.288 1.286 20 0 CDADHL Cc1ncc(C(=O)NCCCCP(=O)([O-])[O-])s1 ZINC001188424402 921018602 /nfs/dbraw/zinc/01/86/02/921018602.db2.gz VZJSXEVRAUNNHA-UHFFFAOYSA-N -2 3 278.270 1.139 20 0 CDADHL O=S(=O)([N-]c1ncc([O-])cc1Cl)c1ccoc1 ZINC001188579960 921103847 /nfs/dbraw/zinc/10/38/47/921103847.db2.gz OJUOTQRPJLOSEY-UHFFFAOYSA-N -2 3 274.685 1.834 20 0 CDADHL C[C@H]1CC[C@H](NC(=O)NCCCCP(=O)([O-])[O-])CC1 ZINC001191843863 922791319 /nfs/dbraw/zinc/79/13/19/922791319.db2.gz SLJNKZIMFZYZIS-XYPYZODXSA-N -2 3 292.316 1.822 20 0 CDADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1c(F)ccc(F)c1[O-] ZINC001192719480 923224517 /nfs/dbraw/zinc/22/45/17/923224517.db2.gz KDBIZRIBWNNWPI-UHFFFAOYSA-N -2 3 297.261 1.380 20 0 CDADHL O=C(NCc1ncccc1[O-])c1ccc(F)c([O-])c1F ZINC001193792994 923891322 /nfs/dbraw/zinc/89/13/22/923891322.db2.gz IELZMHBMNDXRAX-UHFFFAOYSA-N -2 3 280.230 1.701 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1cnc2cc[nH]cc1-2 ZINC001152983238 926537774 /nfs/dbraw/zinc/53/77/74/926537774.db2.gz NYNKLTOJQYXLMK-UHFFFAOYSA-N -2 3 297.251 1.251 20 0 CDADHL CC(C)[C@H](OCCP(=O)([O-])[O-])C(F)(F)F ZINC001224606102 941775287 /nfs/dbraw/zinc/77/52/87/941775287.db2.gz MBPILSVKGCCAHS-LURJTMIESA-N -2 3 250.153 1.768 20 0 CDADHL CCOC(=O)[C@@H](CC)OCCCCP(=O)([O-])[O-] ZINC001225019055 941814322 /nfs/dbraw/zinc/81/43/22/941814322.db2.gz PTEAVLQQVWKRDJ-SECBINFHSA-N -2 3 268.246 1.303 20 0 CDADHL O=P([O-])([O-])CCCCOC1CC2(COC2)C1 ZINC001225021767 941815932 /nfs/dbraw/zinc/81/59/32/941815932.db2.gz IKKHUYXKWKQLNK-UHFFFAOYSA-N -2 3 250.231 1.140 20 0 CDADHL O=C([O-])C1=NO[C@H](C(=O)Nc2cc(Cl)ccc2[O-])C1 ZINC001611361370 971004792 /nfs/dbraw/zinc/00/47/92/971004792.db2.gz BYMYWOWXHNUDTK-VIFPVBQESA-N -2 3 284.655 1.214 20 0 CDADHL COC(=O)CS(=O)(=O)[N-]c1ccc(C)c([O-])c1Cl ZINC001259026372 945471202 /nfs/dbraw/zinc/47/12/02/945471202.db2.gz QZIPQMGZUYUCTA-UHFFFAOYSA-N -2 3 293.728 1.269 20 0 CDADHL Cn1ccc(S(=O)(=O)[N-]c2cc([O-])cc(Cl)c2)n1 ZINC001259944142 945733406 /nfs/dbraw/zinc/73/34/06/945733406.db2.gz JXNBMIDBYFIETP-UHFFFAOYSA-N -2 3 287.728 1.580 20 0 CDADHL O=P([O-])([O-])c1ccc(-c2ccc3cncn3c2)cc1 ZINC001245901025 947838240 /nfs/dbraw/zinc/83/82/40/947838240.db2.gz WYROIKWZFSOWAT-UHFFFAOYSA-N -2 3 274.216 1.804 20 0 CDADHL O=c1cc(C[N-]S(=O)(=O)c2ccc(F)cc2F)o[n-]1 ZINC001256098427 948207677 /nfs/dbraw/zinc/20/76/77/948207677.db2.gz PEWLOAPCIHIQRM-UHFFFAOYSA-N -2 3 290.247 1.137 20 0 CDADHL O=C([O-])c1cnc(C(=O)Nc2cc(Cl)ccc2[O-])cn1 ZINC001595266124 949750411 /nfs/dbraw/zinc/75/04/11/949750411.db2.gz HTJWKIFCGKBNPN-UHFFFAOYSA-N -2 3 293.666 1.786 20 0 CDADHL Cc1cccc([O-])c1C(=O)NCC1(C(=O)[O-])CCC1 ZINC000706601836 954953371 /nfs/dbraw/zinc/95/33/71/954953371.db2.gz IGBDCNJFNUGOOQ-UHFFFAOYSA-N -2 3 263.293 1.685 20 0 CDADHL O=C([O-])CC1(NC(=O)c2cccc(O)c2[O-])CCCC1 ZINC000126040619 958577464 /nfs/dbraw/zinc/57/74/64/958577464.db2.gz YQEZUWOQMWPTEB-UHFFFAOYSA-N -2 3 279.292 1.615 20 0 CDADHL COc1cccc(C(=O)Nc2ccc(C(=O)[O-])nc2)c1[O-] ZINC000128164608 958639022 /nfs/dbraw/zinc/63/90/22/958639022.db2.gz YGJMSOQUHUTSLA-UHFFFAOYSA-N -2 3 288.259 1.746 20 0 CDADHL C[C@H](NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)C(=O)[O-] ZINC001574288109 960665904 /nfs/dbraw/zinc/66/59/04/960665904.db2.gz AQHCHEYHCJVGMB-YFKPBYRVSA-N -2 3 296.229 1.009 20 0 CDADHL CCc1ccc(C(=O)NC(C)(C)C(=O)[O-])c([O-])c1 ZINC001573954131 961660292 /nfs/dbraw/zinc/66/02/92/961660292.db2.gz HUUABAIVYZWRND-UHFFFAOYSA-N -2 3 251.282 1.548 20 0 CDADHL CCC(CC)(NC(=O)c1ccc([O-])cc1F)c1nnn[n-]1 ZINC001467793835 970103198 /nfs/dbraw/zinc/10/31/98/970103198.db2.gz OFDYONKSQRCEAW-UHFFFAOYSA-N -2 3 293.302 1.490 20 0 CDADHL CCC(CC)(NC(=O)c1ccc([O-])cc1F)c1nn[n-]n1 ZINC001467793835 970103201 /nfs/dbraw/zinc/10/32/01/970103201.db2.gz OFDYONKSQRCEAW-UHFFFAOYSA-N -2 3 293.302 1.490 20 0 CDADHL C[C@@H](C(=O)[O-])C(=O)Nc1ccc(Br)cc1[O-] ZINC001609706270 970480088 /nfs/dbraw/zinc/48/00/88/970480088.db2.gz NNEXDKFMPMLYMH-RXMQYKEDSA-N -2 3 288.097 1.814 20 0 CDADHL CCC[C@@H](NC(=O)c1c(C)cccc1[O-])C(=O)[O-] ZINC000706581288 977354711 /nfs/dbraw/zinc/35/47/11/977354711.db2.gz JJBULZOXAWOVLT-SECBINFHSA-N -2 3 251.282 1.684 20 0 CDADHL CC[C@@H]([N-]S(=O)(=O)CCCCCC(=O)[O-])C(F)F ZINC001595307001 980463143 /nfs/dbraw/zinc/46/31/43/980463143.db2.gz SHHTTXNFURZTEU-MRVPVSSYSA-N -2 3 287.328 1.595 20 0 CDADHL CC[C@@H](C)[C@@H](OC(=O)c1c[n-]c(C(=O)OC)c1)C(=O)[O-] ZINC001604942510 1163390550 /nfs/dbraw/zinc/39/05/50/1163390550.db2.gz CAZKHGRYSYRSTP-GMSGAONNSA-N -2 3 283.280 1.457 20 0 CDADHL COCc1cccc(CC(=O)[N-]OCCCC(=O)[O-])c1 ZINC001599296027 997143538 /nfs/dbraw/zinc/14/35/38/997143538.db2.gz ZMGQMFQLHDSYMT-UHFFFAOYSA-N -2 3 281.308 1.288 20 0 CDADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(C)c(F)c1F)C(=O)[O-] ZINC000629292167 361813654 /nfs/dbraw/zinc/81/36/54/361813654.db2.gz BZGFWTHPZKIYDM-SSDOTTSWSA-N -2 3 293.291 1.415 20 0 CDADHL CS[C@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000162533645 342073161 /nfs/dbraw/zinc/07/31/61/342073161.db2.gz OMMRDNCUAUHDEX-ZCFIWIBFSA-N -2 3 295.407 1.476 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]CCCF)sc1C(=O)[O-] ZINC000304224009 344898934 /nfs/dbraw/zinc/89/89/34/344898934.db2.gz ILRGQOBWDAETAN-UHFFFAOYSA-N -2 3 281.330 1.393 20 0 CDADHL CC[C@@](C)(NC(=O)c1ccc(OC)cc1[O-])C(=O)[O-] ZINC000094218641 346007226 /nfs/dbraw/zinc/00/72/26/346007226.db2.gz BQXMMPXYKVKKJM-CYBMUJFWSA-N -2 3 267.281 1.384 20 0 CDADHL COc1ccc(C(=O)N(CCC(=O)[O-])CC(C)C)c([O-])c1 ZINC000621998993 350924812 /nfs/dbraw/zinc/92/48/12/350924812.db2.gz GQNQXTCDVAFYSE-UHFFFAOYSA-N -2 3 295.335 1.974 20 0 CDADHL COc1ccc(C(=O)NC2(C(=O)[O-])CCC2)c([O-])c1 ZINC000164845102 356257435 /nfs/dbraw/zinc/25/74/35/356257435.db2.gz QSWAPTYVYLYDRY-UHFFFAOYSA-N -2 3 265.265 1.138 20 0 CDADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1c(C)noc1C)C(=O)[O-] ZINC000011755508 356279190 /nfs/dbraw/zinc/27/91/90/356279190.db2.gz WBYBQFUOFIZLAO-RCOVLWMOSA-N -2 3 290.341 1.069 20 0 CDADHL CCCC[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000035085460 356827227 /nfs/dbraw/zinc/82/72/27/356827227.db2.gz UXUXQCKLJXYOBX-MRVPVSSYSA-N -2 3 277.367 1.670 20 0 CDADHL CC[C@](C)(NC(=O)c1cc(OC)ccc1[O-])C(=O)[O-] ZINC000094220472 358652361 /nfs/dbraw/zinc/65/23/61/358652361.db2.gz BULJJZJZZMIZLM-ZDUSSCGKSA-N -2 3 267.281 1.384 20 0 CDADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000094703113 358661120 /nfs/dbraw/zinc/66/11/20/358661120.db2.gz GCKZPODUAKIGSP-SECBINFHSA-N -2 3 291.394 1.773 20 0 CDADHL CCc1n[n-]c([N-]C(=O)c2ncc(F)cc2F)n1 ZINC000192172447 361607364 /nfs/dbraw/zinc/60/73/64/361607364.db2.gz RTQBTKIFOXRFPS-UHFFFAOYSA-N -2 3 253.212 1.293 20 0 CDADHL Cc1ccc([O-])c(C(=O)N[C@H](CC(C)C)C(=O)[O-])c1 ZINC000019384677 364074484 /nfs/dbraw/zinc/07/44/84/364074484.db2.gz ZIFIOHBNMWLFIT-LLVKDONJSA-N -2 3 265.309 1.930 20 0 CDADHL C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)C(=O)[O-] ZINC000270520843 364635386 /nfs/dbraw/zinc/63/53/86/364635386.db2.gz RQUHZDFPODZELH-SCSAIBSYSA-N -2 3 299.135 1.140 20 0 CDADHL CSc1nc([N-]S(=O)(=O)Cc2ccccc2C)n[n-]1 ZINC000358165749 367482855 /nfs/dbraw/zinc/48/28/55/367482855.db2.gz OORRONOHWBCUPH-UHFFFAOYSA-N -2 3 298.393 1.777 20 0 CDADHL Cc1cccc(F)c1S(=O)(=O)[N-]C1(C(=O)[O-])CCC1 ZINC000282930650 368108012 /nfs/dbraw/zinc/10/80/12/368108012.db2.gz TYUDHILUGPEWSN-UHFFFAOYSA-N -2 3 287.312 1.420 20 0 CDADHL CCc1ccc([O-])c(C(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000263583318 372848090 /nfs/dbraw/zinc/84/80/90/372848090.db2.gz ZULDXWLFOJLHTC-UHFFFAOYSA-N -2 3 277.320 1.891 20 0 CDADHL CC1(C)CCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000517735875 390135736 /nfs/dbraw/zinc/13/57/36/390135736.db2.gz ANCSSGXWWZLKLU-SECBINFHSA-N -2 3 287.337 1.835 20 0 CDADHL CCc1ccc([O-])c(C(=O)N(C)[C@H](C)C(=O)[O-])c1 ZINC000263572082 140498551 /nfs/dbraw/zinc/49/85/51/140498551.db2.gz KJVMAKJSJARDJX-MRVPVSSYSA-N -2 3 251.282 1.500 20 0 CDADHL CC(C)c1cc(C[N-]S(=O)(=O)c2ccccc2[O-])on1 ZINC000656903427 413787840 /nfs/dbraw/zinc/78/78/40/413787840.db2.gz CUNKIYLSBVIVND-UHFFFAOYSA-N -2 3 296.348 1.982 20 0 CDADHL CC[C@@H](C)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000663418756 414240288 /nfs/dbraw/zinc/24/02/88/414240288.db2.gz AGAVTQMCCOEIDW-SSDOTTSWSA-N -2 3 261.299 1.363 20 0 CDADHL CC1(C)C[C@@]1(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000663442569 414257202 /nfs/dbraw/zinc/25/72/02/414257202.db2.gz BVVUDFXNXZBDNO-LLVKDONJSA-N -2 3 273.310 1.445 20 0 CDADHL CCN(C(=O)c1ccc(C(C)=O)c([O-])c1)[C@H](C)C(=O)[O-] ZINC000659770309 424500661 /nfs/dbraw/zinc/50/06/61/424500661.db2.gz NJRJSIGNYMVZMK-MRVPVSSYSA-N -2 3 279.292 1.530 20 0 CDADHL O=C([O-])c1coc(C[N-]S(=O)(=O)c2ccsc2)c1 ZINC000560419794 290485614 /nfs/dbraw/zinc/48/56/14/290485614.db2.gz XCVXSYKPKBKKMS-UHFFFAOYSA-N -2 3 287.318 1.518 20 0 CDADHL Cc1csc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C)c1 ZINC000562644574 293164216 /nfs/dbraw/zinc/16/42/16/293164216.db2.gz ANTQUMQMBQFFPF-SECBINFHSA-N -2 3 291.394 1.834 20 0 CDADHL O=C([O-])c1csc(S(=O)(=O)[N-]C[C@H]2CC23CC3)c1 ZINC000562780309 293195062 /nfs/dbraw/zinc/19/50/62/293195062.db2.gz LOEVUHPRZHBXFN-MRVPVSSYSA-N -2 3 287.362 1.525 20 0 CDADHL CC(C)[C@H](C)C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000579106753 324105000 /nfs/dbraw/zinc/10/50/00/324105000.db2.gz ZRXRTAVPMZPJPB-SSDOTTSWSA-N -2 3 292.382 1.412 20 0 CDADHL O=C([N-]c1n[n-]c(-c2ccccn2)n1)c1cnco1 ZINC000677521490 482703578 /nfs/dbraw/zinc/70/35/78/482703578.db2.gz UFWBLVIESQRCHC-UHFFFAOYSA-N -2 3 256.225 1.107 20 0 CDADHL COc1ccc(C(=O)NC[C@H](C(=O)[O-])C(C)C)c([O-])c1 ZINC000087480032 482860169 /nfs/dbraw/zinc/86/01/69/482860169.db2.gz MUNCMSRDTPSZPD-NSHDSACASA-N -2 3 281.308 1.487 20 0 CDADHL CCCn1c(=O)[n-]nc1SCc1cc(C(=O)[O-])co1 ZINC000061593699 521615154 /nfs/dbraw/zinc/61/51/54/521615154.db2.gz HFWNWAHLSUUYRF-UHFFFAOYSA-N -2 3 283.309 1.565 20 0 CDADHL C[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)[O-] ZINC000737713367 574707603 /nfs/dbraw/zinc/70/76/03/574707603.db2.gz LVNZJYVLLONEIX-ZCFIWIBFSA-N -2 3 250.210 1.300 20 0 CDADHL C[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)[O-] ZINC000737713367 574707605 /nfs/dbraw/zinc/70/76/05/574707605.db2.gz LVNZJYVLLONEIX-ZCFIWIBFSA-N -2 3 250.210 1.300 20 0 CDADHL CC[C@](C)(NC(=O)c1nnc2ccccc2c1[O-])C(=O)[O-] ZINC000736861197 575765264 /nfs/dbraw/zinc/76/52/64/575765264.db2.gz HZNYRMRNGJZRPE-AWEZNQCLSA-N -2 3 289.291 1.319 20 0 CDADHL COCCO[N-]C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000748774933 576924237 /nfs/dbraw/zinc/92/42/37/576924237.db2.gz XEVLJJMPKBNPHC-UHFFFAOYSA-N -2 3 283.328 1.096 20 0 CDADHL CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC000819788934 597393259 /nfs/dbraw/zinc/39/32/59/597393259.db2.gz TVGNZIIVFHBUSL-LLVKDONJSA-N -2 3 292.291 1.040 20 0 CDADHL CCc1cccc(C(=O)N(C)[C@H](C)C(=O)[O-])c1[O-] ZINC000820485789 598146232 /nfs/dbraw/zinc/14/62/32/598146232.db2.gz PAILIDNMNZCLPK-MRVPVSSYSA-N -2 3 251.282 1.500 20 0 CDADHL CSc1nc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)n[n-]1 ZINC000832798472 604966009 /nfs/dbraw/zinc/96/60/09/604966009.db2.gz KMXPMOXZXXPDRW-UHFFFAOYSA-N -2 3 296.283 1.616 20 0 CDADHL CCC[C@H](NC(=O)c1ccc(O)cc1[O-])C(=O)[O-] ZINC000036831247 605765181 /nfs/dbraw/zinc/76/51/81/605765181.db2.gz JEOACNKUCOUOMD-VIFPVBQESA-N -2 3 253.254 1.081 20 0 CDADHL COCCN(CCC(=O)[O-])Cc1c(F)ccc([O-])c1F ZINC000904269449 626235442 /nfs/dbraw/zinc/23/54/42/626235442.db2.gz GQMLNVZYAKHKJF-UHFFFAOYSA-N -2 3 289.278 1.594 20 0 CDADHL CC[C@H](C)[C@H](NC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000908885851 628411670 /nfs/dbraw/zinc/41/16/70/628411670.db2.gz GLOCQNPFYLZMHP-SDBXPKJASA-N -2 3 283.299 1.689 20 0 CDADHL CCN(CC(=O)[O-])C(=O)CCCc1ccc([O-])c(F)c1 ZINC000908951179 628431300 /nfs/dbraw/zinc/43/13/00/628431300.db2.gz ROPPIURBFJNFLV-UHFFFAOYSA-N -2 3 283.299 1.787 20 0 CDADHL CCN(CC(=O)[O-])C(=O)Cc1ccc([O-])c(F)c1 ZINC000908956474 628448264 /nfs/dbraw/zinc/44/82/64/628448264.db2.gz YZXLNVLAAXSUMU-UHFFFAOYSA-N -2 3 255.245 1.007 20 0 CDADHL C[C@@H](CN(C)C(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909153611 628534929 /nfs/dbraw/zinc/53/49/29/628534929.db2.gz FDVOQJGEFCMGFK-QMMMGPOBSA-N -2 3 269.272 1.253 20 0 CDADHL C[C@H](CNC(=O)CCCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909201163 628564811 /nfs/dbraw/zinc/56/48/11/628564811.db2.gz CFQXWDYJVVBTBJ-SECBINFHSA-N -2 3 283.299 1.691 20 0 CDADHL CSCCO[N-]C(=O)c1c(C)[n-]c(=O)nc1SC ZINC000794196477 1162463952 /nfs/dbraw/zinc/46/39/52/1162463952.db2.gz XYBMIAVSTHPKKO-UHFFFAOYSA-N -2 3 289.382 1.237 20 0 CDADHL CCc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])c([O-])c1 ZINC001605805253 1163676775 /nfs/dbraw/zinc/67/67/75/1163676775.db2.gz XPCHZIXTBOSSLV-CMPLNLGQSA-N -2 3 277.320 1.938 20 0 CDADHL Cc1cc(C(=O)Nc2ncccc2[O-])oc1C(=O)[O-] ZINC001607584825 1164232235 /nfs/dbraw/zinc/23/22/35/1164232235.db2.gz KPWLFCJDKOIIFB-UHFFFAOYSA-N -2 3 262.221 1.639 20 0 CDADHL Cc1cc(=O)[n-]c(CNC(C)(C)c2cc(C(=O)[O-])on2)n1 ZINC001607699233 1164275195 /nfs/dbraw/zinc/27/51/95/1164275195.db2.gz MJVFFNKOAVXYAR-UHFFFAOYSA-N -2 3 292.295 1.202 20 0 CDADHL O=C([O-])[C@H](CN=c1ncnc2[nH][n-]cc1-2)CC1CCCC1 ZINC001608539789 1164537886 /nfs/dbraw/zinc/53/78/86/1164537886.db2.gz JLWOARLWPJGNDE-JTQLQIEISA-N -2 3 289.339 1.419 20 0 CDADHL O=C([O-])c1nsc([N-]C(=O)c2cc3ncccc3o2)n1 ZINC001609004661 1164719133 /nfs/dbraw/zinc/71/91/33/1164719133.db2.gz REGYAQZXTUEMGB-UHFFFAOYSA-N -2 3 290.260 1.630 20 0 CDADHL O=C([O-])Cc1ccc(NC([O-])=NO[C@@H]2CCCCO2)cc1 ZINC001610793416 1165444148 /nfs/dbraw/zinc/44/41/48/1165444148.db2.gz WGHGKBLAWUCNKH-CYBMUJFWSA-N -2 3 294.307 1.893 20 0 CDADHL O=C([O-])Cc1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1 ZINC001610793416 1165444155 /nfs/dbraw/zinc/44/41/55/1165444155.db2.gz WGHGKBLAWUCNKH-CYBMUJFWSA-N -2 3 294.307 1.893 20 0 CDADHL O=C([O-])c1ccc(F)c([N-]C(=O)c2cccc[n+]2[O-])c1 ZINC001610832175 1165457458 /nfs/dbraw/zinc/45/74/58/1165457458.db2.gz UMNJRANNHKJKFN-UHFFFAOYSA-N -2 3 276.223 1.410 20 0 CDADHL O=C([O-])c1ccoc1CN1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC001610855050 1165462864 /nfs/dbraw/zinc/46/28/64/1165462864.db2.gz FQQLMAVGGQFFHU-UHFFFAOYSA-N -2 3 292.295 1.181 20 0 CDADHL CC(C)C[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)C(=O)[O-] ZINC000095206682 1166609679 /nfs/dbraw/zinc/60/96/79/1166609679.db2.gz WGVSEZDXEGGPQI-SECBINFHSA-N -2 3 276.300 1.173 20 0 CDADHL Cc1ccc(C(=O)N[C@@H](C)c2nc(C(=O)[O-])n[nH]2)c([O-])c1 ZINC001574149036 1170896164 /nfs/dbraw/zinc/89/61/64/1170896164.db2.gz HRFLUSXSYQHHRF-ZETCQYMHSA-N -2 3 290.279 1.008 20 0 CDADHL Cc1cc(=O)[n-]c(N2CCC[C@](C)(C(=O)[O-])C2)n1 ZINC001600285235 1174437870 /nfs/dbraw/zinc/43/78/70/1174437870.db2.gz FNRMQAKMFPGTGF-LBPRGKRZSA-N -2 3 251.286 1.182 20 0 CDADHL Cc1nc[n-]c(=O)c1CCC(=O)NCCCCCC(=O)[O-] ZINC001600733799 1174581717 /nfs/dbraw/zinc/58/17/17/1174581717.db2.gz XCGWWFVOJOSYFY-UHFFFAOYSA-N -2 3 295.339 1.184 20 0 CDADHL O=C([O-])Cc1nc([N-]C(=O)c2nc(C3CC3)cs2)n[nH]1 ZINC001602154729 1175146217 /nfs/dbraw/zinc/14/62/17/1175146217.db2.gz UCBHLLIZEKOKLQ-UHFFFAOYSA-N -2 3 293.308 1.018 20 0 CDADHL CC(C)C[C@@H](Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001603304204 1175535500 /nfs/dbraw/zinc/53/55/00/1175535500.db2.gz JFGGVGUFHSCNIG-LLVKDONJSA-N -2 3 293.302 1.917 20 0 CDADHL CC(C)C[C@@H](Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)[O-] ZINC001603304204 1175535504 /nfs/dbraw/zinc/53/55/04/1175535504.db2.gz JFGGVGUFHSCNIG-LLVKDONJSA-N -2 3 293.302 1.917 20 0 CDADHL C[C@H](NC(=O)c1cc([O-])ccc1Cl)[C@H](C)C(=O)[O-] ZINC000235505668 724077757 /nfs/dbraw/zinc/07/77/57/724077757.db2.gz FDAKRNPXGYFQRV-BQBZGAKWSA-N -2 3 271.700 1.885 20 0 CDADHL Cc1nc(C(C)C)[n-]c(=O)c1C(=O)[N-]OCC1CC1 ZINC000817344511 724220278 /nfs/dbraw/zinc/22/02/78/724220278.db2.gz ITCZFUMSXYVUQE-UHFFFAOYSA-N -2 3 265.313 1.685 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@](C)(CC(=O)[O-])C2CC2)o1 ZINC001607819680 1164306558 /nfs/dbraw/zinc/30/65/58/1164306558.db2.gz VYRCWLMWQRSIKB-GFCCVEGCSA-N -2 3 287.337 1.510 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CCCCC1CC1 ZINC000871998561 725575630 /nfs/dbraw/zinc/57/56/30/725575630.db2.gz JELGMNUEJDAQTP-UHFFFAOYSA-N -2 3 287.337 1.836 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)CCCc1cccnc1 ZINC001608716213 1164619339 /nfs/dbraw/zinc/61/93/39/1164619339.db2.gz BQDBFPKSBNBQAJ-UHFFFAOYSA-N -2 3 266.297 1.317 20 0 CDADHL CCCN(CC(=O)[O-])C(=O)c1cc2c(cc1[O-])OCO2 ZINC001609976442 1165171326 /nfs/dbraw/zinc/17/13/26/1165171326.db2.gz KCZZHMQMOSGFCU-UHFFFAOYSA-N -2 3 281.264 1.058 20 0 CDADHL CCc1ccc(C(=O)NC2(C(=O)[O-])CCC2)c([O-])c1 ZINC001610060124 1165198928 /nfs/dbraw/zinc/19/89/28/1165198928.db2.gz BKQDVPKMSIXNNH-UHFFFAOYSA-N -2 3 263.293 1.692 20 0 CDADHL O=P([O-])([O-])CCCCNC(=S)NC1CCCCC1 ZINC001200653218 968699654 /nfs/dbraw/zinc/69/96/54/968699654.db2.gz IOTWOSKHEZOEFA-UHFFFAOYSA-N -2 3 294.357 1.741 20 0 CDADHL CCCCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694211159 898196599 /nfs/dbraw/zinc/19/65/99/898196599.db2.gz UNZPKIPFOCRTGY-UHFFFAOYSA-N -2 3 275.326 1.836 20 0 CDADHL CSc1ccccc1NC(=O)NCCP(=O)([O-])[O-] ZINC001186755415 920157884 /nfs/dbraw/zinc/15/78/84/920157884.db2.gz QRRDTTJSHBKZOM-UHFFFAOYSA-N -2 3 290.281 1.708 20 0 CDADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(F)c([O-])cc1F ZINC001192877550 923287175 /nfs/dbraw/zinc/28/71/75/923287175.db2.gz SWMXGNLKKMMEAQ-UHFFFAOYSA-N -2 3 297.261 1.380 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1cc2c[nH]ccc-2n1 ZINC001151975563 937324113 /nfs/dbraw/zinc/32/41/13/937324113.db2.gz CGEKITUTNNOZAS-UHFFFAOYSA-N -2 3 297.251 1.251 20 0 CDADHL CC[C@@H](C)S(=O)(=O)[N-]c1c([O-])cccc1C(=O)OC ZINC001260738508 936152724 /nfs/dbraw/zinc/15/27/24/936152724.db2.gz ADSCFFHIGZXPDF-MRVPVSSYSA-N -2 3 287.337 1.719 20 0 CDADHL O=Nc1c(=O)[n-]c(=O)[nH]c1Nc1cccc(CC(=O)[O-])c1 ZINC001210070226 940661102 /nfs/dbraw/zinc/66/11/02/940661102.db2.gz ZHYQBNDMPCJAAP-UHFFFAOYSA-N -2 3 290.235 1.656 20 0 CDADHL O=C([O-])c1ccc(Nc2cc(=O)[n-]c(C3CC3)n2)cn1 ZINC001210170706 940668787 /nfs/dbraw/zinc/66/87/87/940668787.db2.gz RKSCOOZZMZPVAB-UHFFFAOYSA-N -2 3 272.264 1.896 20 0 CDADHL COC(=O)[C@H]1CC[C@H](OCCCCP(=O)([O-])[O-])CC1 ZINC001225018662 941814707 /nfs/dbraw/zinc/81/47/07/941814707.db2.gz DVLXBJOTUJCLMR-XYPYZODXSA-N -2 3 294.284 1.693 20 0 CDADHL C[C@@H]1C[C@@H](OCCCCP(=O)([O-])[O-])CCO1 ZINC001225019019 941815307 /nfs/dbraw/zinc/81/53/07/941815307.db2.gz ORYVWGFMIGNGKV-ZJUUUORDSA-N -2 3 252.247 1.528 20 0 CDADHL CC[C@@H]1OC(=O)C(OCCCCP(=O)([O-])[O-])=C1C ZINC001225023072 941816531 /nfs/dbraw/zinc/81/65/31/941816531.db2.gz UDSWGBZRQCFTRN-VIFPVBQESA-N -2 3 278.241 1.570 20 0 CDADHL Cc1c([C@H](C)Oc2nc3ncnc-3c([S-])[n-]2)cnn1C ZINC001226780191 942068478 /nfs/dbraw/zinc/06/84/78/942068478.db2.gz FWQAEFUZFIIXRC-ZETCQYMHSA-N -2 3 290.352 1.824 20 0 CDADHL C[C@@H]1CC[C@@H](Oc2[n-]c(=O)nc3cn[n-]c32)C[C@@H]1C ZINC001233939093 943694668 /nfs/dbraw/zinc/69/46/68/943694668.db2.gz HRJDVAGDCWZWII-HRDYMLBCSA-N -2 3 262.313 1.850 20 0 CDADHL O=C([O-])c1ccc(-c2cncc(-c3nnn[n-]3)c2)c(F)c1 ZINC001239260780 945376104 /nfs/dbraw/zinc/37/61/04/945376104.db2.gz COMYCJZJAAADRH-UHFFFAOYSA-N -2 3 285.238 1.766 20 0 CDADHL O=C([O-])c1ccc(-c2cncc(-c3nn[n-]n3)c2)c(F)c1 ZINC001239260780 945376113 /nfs/dbraw/zinc/37/61/13/945376113.db2.gz COMYCJZJAAADRH-UHFFFAOYSA-N -2 3 285.238 1.766 20 0 CDADHL O=C([O-])c1cc(C(=O)[O-])cc(-c2ncnc3c2CCNC3)c1 ZINC001242159196 946611010 /nfs/dbraw/zinc/61/10/10/946611010.db2.gz CSNVQYDEUQQBPO-UHFFFAOYSA-N -2 3 299.286 1.186 20 0 CDADHL O=c1cc([N-]S(=O)(=O)c2cccs2)nc(Cl)[n-]1 ZINC001250873836 950445790 /nfs/dbraw/zinc/44/57/90/950445790.db2.gz AOFLXCIKKXTOOB-UHFFFAOYSA-N -2 3 291.741 1.698 20 0 CDADHL C[C@H]1CCCN(C(=O)Cc2ccc([O-])c(F)c2)[C@H]1C(=O)[O-] ZINC001589325157 953896513 /nfs/dbraw/zinc/89/65/13/953896513.db2.gz JNLNPWDPFROUAS-LKFCYVNXSA-N -2 3 295.310 1.786 20 0 CDADHL C[C@@H](NC(=O)c1ccccc1[O-])c1nn(C)cc1[O-] ZINC001304545743 956208727 /nfs/dbraw/zinc/20/87/27/956208727.db2.gz ZRHBWEXZCOATKQ-MRVPVSSYSA-N -2 3 261.281 1.322 20 0 CDADHL O=C([O-])C1(CNC(=O)c2cccc(O)c2[O-])CCCC1 ZINC000126074599 958580219 /nfs/dbraw/zinc/58/02/19/958580219.db2.gz KGWUWQWOPPPXJA-UHFFFAOYSA-N -2 3 279.292 1.473 20 0 CDADHL Cc1nc(N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc(=O)[n-]1 ZINC000163325003 959233170 /nfs/dbraw/zinc/23/31/70/959233170.db2.gz QOXUYLKJKIERKM-JTQLQIEISA-N -2 3 279.340 1.818 20 0 CDADHL Cc1cccc(F)c1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000224930187 959857659 /nfs/dbraw/zinc/85/76/59/959857659.db2.gz OZOPJNNMOKDWEX-UHFFFAOYSA-N -2 3 298.295 1.961 20 0 CDADHL O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1ccc(O)cc1[O-] ZINC000228974916 960048926 /nfs/dbraw/zinc/04/89/26/960048926.db2.gz HTWUGMPCYYQSOL-DVYJOKAKSA-N -2 3 291.303 1.423 20 0 CDADHL Cn1cc(S(=O)(=O)[N-]c2ccncc2F)cc1C(=O)[O-] ZINC000232109666 960243913 /nfs/dbraw/zinc/24/39/13/960243913.db2.gz IRRFKXSUFZNJKZ-UHFFFAOYSA-N -2 3 299.283 1.058 20 0 CDADHL CC(C)[C@H](CO)O[N-]C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001588833438 961734671 /nfs/dbraw/zinc/73/46/71/961734671.db2.gz MCNMJLGSFFVTSL-QZPNVGJNSA-N -2 3 283.280 1.056 20 0 CDADHL O=C([O-])CC(=O)NCc1ccc([O-])c(Br)c1 ZINC000309651011 963360162 /nfs/dbraw/zinc/36/01/62/963360162.db2.gz XYEWGWUQLFADQM-UHFFFAOYSA-N -2 3 288.097 1.246 20 0 CDADHL CC(C)c1nc(C(=O)NCc2nc([O-])cc(=O)[n-]2)cs1 ZINC001470582820 970347910 /nfs/dbraw/zinc/34/79/10/970347910.db2.gz CYBQETRCLGDGSE-UHFFFAOYSA-N -2 3 294.336 1.398 20 0 CDADHL O=C([O-])[C@H](C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)C1CC1 ZINC001605900629 972726247 /nfs/dbraw/zinc/72/62/47/972726247.db2.gz DVNKAWAVVDQDHS-JTQLQIEISA-N -2 3 275.264 1.318 20 0 CDADHL CC(C)[C@@]1(C)C[C@@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000397196767 972977935 /nfs/dbraw/zinc/97/79/35/972977935.db2.gz SFNWEGHKKZAXTH-JOYOIKCWSA-N -2 3 287.337 1.691 20 0 CDADHL Cc1ccc(-c2nc(NC(=O)[C@@H](C(=O)[O-])C(C)C)n[n-]2)o1 ZINC001605240508 972998563 /nfs/dbraw/zinc/99/85/63/972998563.db2.gz NYVJJMADMOZHFO-VIFPVBQESA-N -2 3 292.295 1.668 20 0 CDADHL COc1ccc(C(=O)NC/C=C(/C)C(=O)[O-])c([O-])c1 ZINC000692431488 976471413 /nfs/dbraw/zinc/47/14/13/976471413.db2.gz WARSNZOVNFZUHU-YVMONPNESA-N -2 3 265.265 1.162 20 0 CDADHL C[C@H](CC(=O)[O-])CC(=O)[N-]OCCCC(F)(F)F ZINC000710054478 977477426 /nfs/dbraw/zinc/47/74/26/977477426.db2.gz KARLMKNVKCVHQU-ZETCQYMHSA-N -2 3 271.235 1.878 20 0 CDADHL C[C@H]1CN(C(=O)c2c([O-])cccc2O)C[C@]1(C)C(=O)[O-] ZINC000710189795 977491319 /nfs/dbraw/zinc/49/13/19/977491319.db2.gz BBXFPWRBRYXXKQ-RTHLEPHNSA-N -2 3 279.292 1.281 20 0 CDADHL O=C([O-])c1csc(Cn2cc(Cl)c(=O)[n-]c2=O)c1 ZINC000711466933 977550417 /nfs/dbraw/zinc/55/04/17/977550417.db2.gz AIBPLXNLZCSYFO-UHFFFAOYSA-N -2 3 286.696 1.410 20 0 CDADHL O=C([O-])[C@]12CN(c3cc(=O)[n-]cn3)C[C@H]1CCCC2 ZINC000715816735 977789589 /nfs/dbraw/zinc/78/95/89/977789589.db2.gz OXXWRQAFSBFKGN-NOZJJQNGSA-N -2 3 263.297 1.263 20 0 CDADHL Cc1cccc([O-])c1C(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC000725228037 978276909 /nfs/dbraw/zinc/27/69/09/978276909.db2.gz JOTZCBUYJJZDDV-UHFFFAOYSA-N -2 3 275.264 1.385 20 0 CDADHL CC[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)C(=O)[O-] ZINC001604499745 1163207924 /nfs/dbraw/zinc/20/79/24/1163207924.db2.gz DRHVZWJQWWRENG-ZETCQYMHSA-N -2 3 282.691 1.190 20 0 CDADHL CC[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)C(=O)[O-] ZINC001604499745 1163207930 /nfs/dbraw/zinc/20/79/30/1163207930.db2.gz DRHVZWJQWWRENG-ZETCQYMHSA-N -2 3 282.691 1.190 20 0 CDADHL Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCc1ncccc1[O-] ZINC001599957190 985708747 /nfs/dbraw/zinc/70/87/47/985708747.db2.gz JVPRFBRXBLXIFT-UHFFFAOYSA-N -2 3 289.291 1.360 20 0 CDADHL CC[C@](C)(NCc1nnc(-c2ccccc2[O-])o1)C(=O)[O-] ZINC001604915732 1163380148 /nfs/dbraw/zinc/38/01/48/1163380148.db2.gz ZNFVTSIQHVBFIO-AWEZNQCLSA-N -2 3 291.307 1.785 20 0 CDADHL C[C@H]1CCN(Cc2cc(C(=O)[O-])co2)C[C@H]1C(=O)[O-] ZINC001594423369 999580215 /nfs/dbraw/zinc/58/02/15/999580215.db2.gz UYJKYMPJJNBIML-GZMMTYOYSA-N -2 3 267.281 1.520 20 0 CDADHL CCCC1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000233012998 342035633 /nfs/dbraw/zinc/03/56/33/342035633.db2.gz WOPOBAUVTIIBDN-UHFFFAOYSA-N -2 3 287.337 1.836 20 0 CDADHL CCC(C)(C)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134660478 342071160 /nfs/dbraw/zinc/07/11/60/342071160.db2.gz LRCHWIAEDOPIOO-UHFFFAOYSA-N -2 3 278.355 1.308 20 0 CDADHL CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000400385582 342279155 /nfs/dbraw/zinc/27/91/55/342279155.db2.gz JWWHVIDMZWGYCN-RKDXNWHRSA-N -2 3 291.394 1.916 20 0 CDADHL COCC1(S(=O)(=O)[N-]c2c(C)cccc2[O-])CC1 ZINC000641684474 365722893 /nfs/dbraw/zinc/72/28/93/365722893.db2.gz KJLSKOCEBWVVQW-UHFFFAOYSA-N -2 3 271.338 1.621 20 0 CDADHL COC(=O)c1ccc(=NCc2ccc([O-])c(F)c2)[n-]n1 ZINC000609964990 346051342 /nfs/dbraw/zinc/05/13/42/346051342.db2.gz CHWUADAYEIAFSG-UHFFFAOYSA-N -2 3 277.255 1.142 20 0 CDADHL CCC(C)(CC)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000230955660 346557258 /nfs/dbraw/zinc/55/72/58/346557258.db2.gz SPSVFROKDFLVAF-UHFFFAOYSA-N -2 3 275.326 1.835 20 0 CDADHL COc1ccc(C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)c([O-])c1 ZINC000622000198 350925560 /nfs/dbraw/zinc/92/55/60/350925560.db2.gz AUMQSDHCZSHRKM-SECBINFHSA-N -2 3 293.319 1.726 20 0 CDADHL C[C@H]1CCc2c(=O)n(-c3cn[n-]c(=O)c3Cl)[n-]c21 ZINC000634587087 356466370 /nfs/dbraw/zinc/46/63/70/356466370.db2.gz DXSWEPVFTIYABQ-WDSKDSINSA-N -2 3 266.688 1.584 20 0 CDADHL C[C@H](CC1CCC1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000634654710 356644535 /nfs/dbraw/zinc/64/45/35/356644535.db2.gz QZRZOMSDTZOLOW-MRVPVSSYSA-N -2 3 287.337 1.835 20 0 CDADHL Cc1cccc(S(=O)(=O)[N-]C[C@H](C)C(=O)[O-])c1F ZINC000274945563 356851283 /nfs/dbraw/zinc/85/12/83/356851283.db2.gz RTGPBFUYQGKCRJ-QMMMGPOBSA-N -2 3 275.301 1.133 20 0 CDADHL C[C@@H](CN(C)C(=O)NCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000263220138 359244945 /nfs/dbraw/zinc/24/49/45/359244945.db2.gz KKESONDQWNXLSY-QMMMGPOBSA-N -2 3 284.287 1.393 20 0 CDADHL CCCN(CC(=O)[O-])C(=O)c1cc(CC)ccc1[O-] ZINC000263463523 359284860 /nfs/dbraw/zinc/28/48/60/359284860.db2.gz WFWNVFBKDGGNRE-UHFFFAOYSA-N -2 3 265.309 1.891 20 0 CDADHL Cc1nc(C=Cc2ccnn2C)[n-]c(=O)c1CC(=O)[O-] ZINC000347415515 359392671 /nfs/dbraw/zinc/39/26/71/359392671.db2.gz IHMVSGZEXWMBNQ-ONEGZZNKSA-N -2 3 274.280 1.022 20 0 CDADHL C[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000034936963 299329691 /nfs/dbraw/zinc/32/96/91/299329691.db2.gz CGITYOYWDMMWTQ-YFKPBYRVSA-N -2 3 298.147 1.745 20 0 CDADHL Cn1[nH]c(=NC(=O)c2ccc([O-])cc2[O-])cc1OC(F)F ZINC000436743494 361568121 /nfs/dbraw/zinc/56/81/21/361568121.db2.gz YKAUWXUXKWPAFA-UHFFFAOYSA-N -2 3 299.233 1.107 20 0 CDADHL Cc1ncc(CNC(=O)c2ccc(F)cc2[O-])c(=O)[n-]1 ZINC000436827078 361584504 /nfs/dbraw/zinc/58/45/04/361584504.db2.gz MPGXZVUHRMHNAV-UHFFFAOYSA-N -2 3 277.255 1.265 20 0 CDADHL CC[C@@H](C)CO[N-]C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000293839844 370820825 /nfs/dbraw/zinc/82/08/25/370820825.db2.gz WKXNGIOBRKRUJJ-MRVPVSSYSA-N -2 3 280.353 1.726 20 0 CDADHL COc1ccc(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)c([O-])c1 ZINC000037366073 367286136 /nfs/dbraw/zinc/28/61/36/367286136.db2.gz HUXMJGXOPQCVHA-CQSZACIVSA-N -2 3 279.292 1.384 20 0 CDADHL Cc1cc(F)c(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)cc1F ZINC000282770048 368029439 /nfs/dbraw/zinc/02/94/39/368029439.db2.gz HSQXWFPWFNIZLL-UHFFFAOYSA-N -2 3 291.275 1.169 20 0 CDADHL COc1ccc(C(=O)N([C@H](C)C(=O)[O-])C2CC2)c([O-])c1 ZINC000263327530 370536476 /nfs/dbraw/zinc/53/64/76/370536476.db2.gz KZPBQEXYVWZJKL-MRVPVSSYSA-N -2 3 279.292 1.479 20 0 CDADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C(C)(C)C ZINC000566179491 370637259 /nfs/dbraw/zinc/63/72/59/370637259.db2.gz PDHCHPAXXRKHSO-UHFFFAOYSA-N -2 3 293.366 1.532 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])c(F)c1 ZINC000270491470 371036405 /nfs/dbraw/zinc/03/64/05/371036405.db2.gz MBTKTPOFYOCEOS-MRVPVSSYSA-N -2 3 275.301 1.276 20 0 CDADHL O=S(=O)(C[C@@H]1CCCO1)[N-]c1cccc([O-])c1F ZINC000179332352 372271472 /nfs/dbraw/zinc/27/14/72/372271472.db2.gz PAZPGGAQSSXPEE-QMMMGPOBSA-N -2 3 275.301 1.452 20 0 CDADHL COC[C@](C)([N-]C(=O)C(F)(F)c1ccccc1)C(=O)[O-] ZINC000262143047 190049363 /nfs/dbraw/zinc/04/93/63/190049363.db2.gz LBYPQOATILNXCP-LBPRGKRZSA-N -2 3 287.262 1.384 20 0 CDADHL COc1cccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1[O-] ZINC000263524093 390553807 /nfs/dbraw/zinc/55/38/07/390553807.db2.gz SMCMMWCPYWMJIV-UWVGGRQHSA-N -2 3 293.319 1.726 20 0 CDADHL CC[C@H](C)C[C@@H](NC(=O)c1ccc2n[n-]nc2c1)C(=O)[O-] ZINC000400408622 391992020 /nfs/dbraw/zinc/99/20/20/391992020.db2.gz VFTPYMDXAMPXSD-QPUJVOFHSA-N -2 3 290.323 1.577 20 0 CDADHL Cc1oc(S(=O)(=O)[N-][C@H](C)C2CCC2)cc1C(=O)[O-] ZINC000645971426 393441135 /nfs/dbraw/zinc/44/11/35/393441135.db2.gz WJNDSRRQUFVWQM-SSDOTTSWSA-N -2 3 287.337 1.753 20 0 CDADHL CCC[C@@H]([N-]S(=O)(=O)c1cnc(CC)s1)C(=O)[O-] ZINC000262354478 149051174 /nfs/dbraw/zinc/05/11/74/149051174.db2.gz BQYRFQJAEVLRSJ-SSDOTTSWSA-N -2 3 292.382 1.237 20 0 CDADHL Cc1cnn(C)c1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000349105813 154052244 /nfs/dbraw/zinc/05/22/44/154052244.db2.gz HMCDZXBANMKMBR-SNAWJCMRSA-N -2 3 288.307 1.330 20 0 CDADHL C[C@H]1[C@@H](C(=O)N=c2ccc([O-])n[n-]2)CCN1c1ccccc1 ZINC000355877716 157273227 /nfs/dbraw/zinc/27/32/27/157273227.db2.gz GHRPLEMZPYJBCP-AAEUAGOBSA-N -2 3 298.346 1.458 20 0 CDADHL CCn1cn[n-]c1=NC(=O)c1cc(-c2ccc(C)o2)[n-]n1 ZINC000356084665 157348136 /nfs/dbraw/zinc/34/81/36/157348136.db2.gz RAXXQPJDECUSMP-UHFFFAOYSA-N -2 3 286.295 1.264 20 0 CDADHL CCn1cn[n-]c1=NC(=O)c1cc(-c2ccc(C)o2)n[n-]1 ZINC000356084665 157348141 /nfs/dbraw/zinc/34/81/41/157348141.db2.gz RAXXQPJDECUSMP-UHFFFAOYSA-N -2 3 286.295 1.264 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC2CCC2)o1 ZINC000037180472 173012889 /nfs/dbraw/zinc/01/28/89/173012889.db2.gz SWVMYEJLVBXCJD-UHFFFAOYSA-N -2 3 259.283 1.056 20 0 CDADHL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000037413014 173189661 /nfs/dbraw/zinc/18/96/61/173189661.db2.gz IODTXYPOTZLFNO-ZCFIWIBFSA-N -2 3 279.264 1.106 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C)oc1C(=O)[O-] ZINC000663419784 414243917 /nfs/dbraw/zinc/24/39/17/414243917.db2.gz UQOLKVQYAMBIPO-SVRRBLITSA-N -2 3 273.310 1.221 20 0 CDADHL COc1ccc(C(=O)N(CC(=O)[O-])C2CCC2)c([O-])c1 ZINC000655588728 424117926 /nfs/dbraw/zinc/11/79/26/424117926.db2.gz OWVVXMVEUMVIPL-UHFFFAOYSA-N -2 3 279.292 1.480 20 0 CDADHL O=C([O-])c1coc(C[N-]S(=O)(=O)c2cccc(F)c2)c1 ZINC000527490664 281144412 /nfs/dbraw/zinc/14/44/12/281144412.db2.gz ONZZYHKHVHSMIE-UHFFFAOYSA-N -2 3 299.279 1.595 20 0 CDADHL Cc1ccc([N-]S(=O)(=O)Cc2ccon2)c(C(=O)[O-])c1 ZINC000547541593 289786012 /nfs/dbraw/zinc/78/60/12/289786012.db2.gz UWGGAQHZEOQIPU-UHFFFAOYSA-N -2 3 296.304 1.623 20 0 CDADHL COC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(C)cc1[O-] ZINC000262774222 293244004 /nfs/dbraw/zinc/24/40/04/293244004.db2.gz HWKSTHOMAXZOOM-AWEZNQCLSA-N -2 3 281.308 1.310 20 0 CDADHL C[C@]1([N-]S(=O)(=O)c2ccco2)CCCC[C@H]1C(=O)[O-] ZINC000565361194 293598393 /nfs/dbraw/zinc/59/83/93/293598393.db2.gz IEZXNXYQBWXRMA-CABZTGNLSA-N -2 3 287.337 1.591 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)C2CC2)o1 ZINC000575049509 295091972 /nfs/dbraw/zinc/09/19/72/295091972.db2.gz DYWLMSZCMGQJEE-KWQFWETISA-N -2 3 287.337 1.366 20 0 CDADHL CC(=O)c1[n-]c(=N[C@H]2CC[C@@H](C(=O)[O-])C2)sc1C ZINC000566296816 316547017 /nfs/dbraw/zinc/54/70/17/316547017.db2.gz ICXJZEWCQIFPPM-BDAKNGLRSA-N -2 3 268.338 1.741 20 0 CDADHL Cc1cc(CS(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)on1 ZINC000576442069 317138572 /nfs/dbraw/zinc/13/85/72/317138572.db2.gz FSQHJDVNNGGJAR-UHFFFAOYSA-N -2 3 296.304 1.623 20 0 CDADHL CC(C)C[C@@H](C(=O)[O-])[S@](=O)c1cccc([O-])c1 ZINC000580625101 324515271 /nfs/dbraw/zinc/51/52/71/324515271.db2.gz SEMFSOQBDVLGJL-APPDUMDISA-N -2 3 256.323 1.999 20 0 CDADHL Cc1csc(S(=O)(=O)[N-]C[C@@H](C)C(=O)[O-])c1 ZINC000583549354 325196219 /nfs/dbraw/zinc/19/62/19/325196219.db2.gz BQQGIZZGDCMBMH-SSDOTTSWSA-N -2 3 263.340 1.056 20 0 CDADHL CC[C@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)[O-] ZINC000736929783 575773177 /nfs/dbraw/zinc/77/31/77/575773177.db2.gz VQXGJRZDOWETDH-QMMMGPOBSA-N -2 3 264.310 1.822 20 0 CDADHL CN(CC(=O)[O-])Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000737404036 575956957 /nfs/dbraw/zinc/95/69/57/575956957.db2.gz QREQYRHSPQOQCW-UHFFFAOYSA-N -2 3 287.275 1.598 20 0 CDADHL O=C([O-])[C@@H]1CSCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC001601858800 1175039088 /nfs/dbraw/zinc/03/90/88/1175039088.db2.gz XQXFWMMZKKYSBA-JTQLQIEISA-N -2 3 299.323 1.102 20 0 CDADHL O=C([O-])C[C@H]1CSCCN1C(=O)c1ccccc1[O-] ZINC000091128042 600670490 /nfs/dbraw/zinc/67/04/90/600670490.db2.gz FYVCIOWRFLEICV-VIFPVBQESA-N -2 3 281.333 1.425 20 0 CDADHL Cc1ccc(C(=O)N2C[C@H](C)[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC000111251448 601711320 /nfs/dbraw/zinc/71/13/20/601711320.db2.gz KCGMWFDYXAEVJR-ONGXEEELSA-N -2 3 263.293 1.493 20 0 CDADHL Cc1ccc(C(=O)N2C[C@H](C)[C@H](C(=O)[O-])C2)c([O-])c1 ZINC000111251445 601711379 /nfs/dbraw/zinc/71/13/79/601711379.db2.gz KCGMWFDYXAEVJR-GXSJLCMTSA-N -2 3 263.293 1.493 20 0 CDADHL Cc1cc(=O)[n-]c(CN[C@H](C(=O)[O-])c2ccccc2)n1 ZINC000700427239 602311437 /nfs/dbraw/zinc/31/14/37/602311437.db2.gz AHOYRSFHDMQCMQ-ZDUSSCGKSA-N -2 3 273.292 1.406 20 0 CDADHL O=C([O-])c1cccc(C(=O)NCc2ccc([O-])c(F)c2)n1 ZINC000833328206 604371122 /nfs/dbraw/zinc/37/11/22/604371122.db2.gz BWHMOKMTTPOKDY-UHFFFAOYSA-N -2 3 290.250 1.555 20 0 CDADHL Cc1c(C(=O)[O-])sc2[n-]c([C@@H]3CCCO3)nc(=O)c12 ZINC000833741735 604872022 /nfs/dbraw/zinc/87/20/22/604872022.db2.gz VZFAHMSRVJICFV-LURJTMIESA-N -2 3 280.305 1.843 20 0 CDADHL C[C@H]1CCN(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)C1 ZINC000833616121 605290346 /nfs/dbraw/zinc/29/03/46/605290346.db2.gz QDWNMFWIDWKDAP-ZETCQYMHSA-N -2 3 290.366 1.445 20 0 CDADHL C[C@@H]1CCN(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)C1 ZINC000833616120 605290410 /nfs/dbraw/zinc/29/04/10/605290410.db2.gz QDWNMFWIDWKDAP-SSDOTTSWSA-N -2 3 290.366 1.445 20 0 CDADHL O=C([O-])c1cc(C=Cc2cccc(-c3nnn[n-]3)c2)ncn1 ZINC000826461667 607813235 /nfs/dbraw/zinc/81/32/35/607813235.db2.gz CSHREPCOLKTCHD-SNAWJCMRSA-N -2 3 294.274 1.525 20 0 CDADHL O=C([O-])c1cc(C=Cc2cccc(-c3nn[n-]n3)c2)ncn1 ZINC000826461667 607813236 /nfs/dbraw/zinc/81/32/36/607813236.db2.gz CSHREPCOLKTCHD-SNAWJCMRSA-N -2 3 294.274 1.525 20 0 CDADHL CN(CC(=O)[O-])C(=O)CCCc1ccc([O-])c(F)c1 ZINC000908632696 628302836 /nfs/dbraw/zinc/30/28/36/628302836.db2.gz HNASGJNCYMRABH-UHFFFAOYSA-N -2 3 269.272 1.397 20 0 CDADHL CC[C@@](C)(NC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000908925381 628432836 /nfs/dbraw/zinc/43/28/36/628432836.db2.gz NSJWCKOEXWLOBG-CYBMUJFWSA-N -2 3 269.272 1.443 20 0 CDADHL O=C([O-])C1CCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000095233088 1158539319 /nfs/dbraw/zinc/53/93/19/1158539319.db2.gz TUENIUDYFGBLSN-UHFFFAOYSA-N -2 3 273.296 1.168 20 0 CDADHL CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1cscn1 ZINC001604991912 1163406670 /nfs/dbraw/zinc/40/66/70/1163406670.db2.gz QTMOLXYSNMQPSE-UHFFFAOYSA-N -2 3 292.382 1.455 20 0 CDADHL O=C([O-])[C@@H](NC(=O)c1cccc2n[n-]nc21)c1ccccc1 ZINC001608488665 1164526783 /nfs/dbraw/zinc/52/67/83/1164526783.db2.gz TUZFFMPCIAQVTA-LBPRGKRZSA-N -2 3 296.286 1.514 20 0 CDADHL O=C([O-])c1ccnc(NCc2cc(=O)[n-]c(C3CC3)n2)n1 ZINC001608953758 1164694222 /nfs/dbraw/zinc/69/42/22/1164694222.db2.gz NDLGYFDQGFODKU-UHFFFAOYSA-N -2 3 287.279 1.160 20 0 CDADHL CCc1nc([N-]C(=O)c2cc(OC)no2)sc1C(=O)[O-] ZINC001610072621 1165204114 /nfs/dbraw/zinc/20/41/14/1165204114.db2.gz MMTIDNICYHDDOI-UHFFFAOYSA-N -2 3 297.292 1.653 20 0 CDADHL CC(C)(CCC(=O)[O-])Nc1cccc(-c2nnn[n-]2)n1 ZINC000095197231 1166607475 /nfs/dbraw/zinc/60/74/75/1166607475.db2.gz PHDBKGJEDQQISR-UHFFFAOYSA-N -2 3 276.300 1.317 20 0 CDADHL Cc1cc(NCC2(C(=O)[O-])CCC2)cc(-c2nnn[n-]2)n1 ZINC001592041619 1173782133 /nfs/dbraw/zinc/78/21/33/1173782133.db2.gz PDPQQPQUPLAPFF-UHFFFAOYSA-N -2 3 288.311 1.237 20 0 CDADHL O=C([O-])[C@@H]1C[C@H](F)CN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001602197242 1175159930 /nfs/dbraw/zinc/15/99/30/1175159930.db2.gz ZRTWFOBRKRAJSQ-WPRPVWTQSA-N -2 3 281.287 1.057 20 0 CDADHL C[C@H]1CN(c2ccc(-c3nn[n-]n3)cc2)CC[C@@H]1C(=O)[O-] ZINC001603939112 1175691566 /nfs/dbraw/zinc/69/15/66/1175691566.db2.gz JTEXPYZQZQGHPR-CABZTGNLSA-N -2 3 287.323 1.414 20 0 CDADHL C[C@H](/C=C\C(=O)[O-])NC(=O)c1cc([O-])ccc1Cl ZINC001604059651 1175739258 /nfs/dbraw/zinc/73/92/58/1175739258.db2.gz NMIWRRKVSOWNKM-BIPIGHIPSA-N -2 3 269.684 1.805 20 0 CDADHL O=C([N-]OC/C=C/Cl)C(=O)c1ccc([O-])cc1 ZINC000812406029 726097002 /nfs/dbraw/zinc/09/70/02/726097002.db2.gz APYMXYMAMPBNAX-LZCJLJQNSA-N -2 3 255.657 1.375 20 0 CDADHL CCc1ccc([O-])c(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)c1 ZINC001610063219 1165201104 /nfs/dbraw/zinc/20/11/04/1165201104.db2.gz TVEDVQBESOVJLQ-GXSJLCMTSA-N -2 3 277.320 1.890 20 0 CDADHL COCCCO[N-]C(=O)CCc1ccccc1C(=O)[O-] ZINC001610256519 1165275652 /nfs/dbraw/zinc/27/56/52/1165275652.db2.gz AKRSZLWPVCUPTB-UHFFFAOYSA-N -2 3 281.308 1.402 20 0 CDADHL CC(C)[C@@H]1C[C@H]1[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001603972648 1167846435 /nfs/dbraw/zinc/84/64/35/1167846435.db2.gz XHHFQPHGNSPFJQ-NKWVEPMBSA-N -2 3 290.366 1.164 20 0 CDADHL O=Nc1c(=O)[n-]c(=O)[nH]c1Nc1csc(C(=O)[O-])c1 ZINC001176435157 914097984 /nfs/dbraw/zinc/09/79/84/914097984.db2.gz KDKTYQSCMNAZCW-UHFFFAOYSA-N -2 3 282.237 1.789 20 0 CDADHL CCOC(=O)C1CC(OCCCCP(=O)([O-])[O-])C1 ZINC001225019857 911596430 /nfs/dbraw/zinc/59/64/30/911596430.db2.gz BGCXJFRAZSULSX-UHFFFAOYSA-N -2 3 280.257 1.303 20 0 CDADHL Cc1[n-][nH]c(=O)c1CCNC(=O)Cc1ccc([S-])cc1 ZINC001183190451 918338636 /nfs/dbraw/zinc/33/86/36/918338636.db2.gz SVKLUJFRGGBUQI-UHFFFAOYSA-N -2 3 291.376 1.614 20 0 CDADHL COC(=O)[C@@H]1CC[C@H](OCCCCP(=O)([O-])[O-])C1 ZINC001225019445 941815354 /nfs/dbraw/zinc/81/53/54/941815354.db2.gz WATNFTSDCITOAI-ZJUUUORDSA-N -2 3 280.257 1.303 20 0 CDADHL CC(C)(C)c1ccc(C(=O)NCc2n[nH]c(=O)[n-]2)c([O-])c1 ZINC001192336146 923012632 /nfs/dbraw/zinc/01/26/32/923012632.db2.gz RSJBCJSYZYIYQV-UHFFFAOYSA-N -2 3 290.323 1.443 20 0 CDADHL Cc1c(Cl)onc1C(=O)NCCCCP(=O)([O-])[O-] ZINC001199676648 925807160 /nfs/dbraw/zinc/80/71/60/925807160.db2.gz KPLIPWKOQQOPOL-UHFFFAOYSA-N -2 3 296.647 1.324 20 0 CDADHL C[C@@]1(C(=O)[O-])CCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000780687226 937201944 /nfs/dbraw/zinc/20/19/44/937201944.db2.gz XRNXPMZHTUFZKU-AWEZNQCLSA-N -2 3 296.298 1.680 20 0 CDADHL Cc1[nH]c(=O)[n-]c(=S)c1C(=O)Nc1ncccc1[O-] ZINC001154068489 937499982 /nfs/dbraw/zinc/49/99/82/937499982.db2.gz YWFHZCHVARRYPP-UHFFFAOYSA-N -2 3 278.293 1.132 20 0 CDADHL Cc1cc2c(c(-c3cc(F)c([O-])cc3F)n1)C(=O)[N-]C2=O ZINC001206767682 940086085 /nfs/dbraw/zinc/08/60/85/940086085.db2.gz HARIRAYRRUCQCY-UHFFFAOYSA-N -2 3 290.225 1.924 20 0 CDADHL CN(C)c1nc(Nc2cccc(C(=O)[O-])c2F)cc(=O)[n-]1 ZINC001210238214 940673741 /nfs/dbraw/zinc/67/37/41/940673741.db2.gz JEBNITNLNCGXLN-UHFFFAOYSA-N -2 3 292.270 1.829 20 0 CDADHL CC1(C)CC(OCCP(=O)([O-])[O-])CC(C)(C)O1 ZINC001224601025 941774774 /nfs/dbraw/zinc/77/47/74/941774774.db2.gz DASOMGDCIUSOND-UHFFFAOYSA-N -2 3 266.274 1.917 20 0 CDADHL CC(C)[C@H](Oc1nc(=O)[n-]c(=O)[n-]1)C(=O)OC(C)(C)C ZINC001227569530 942190824 /nfs/dbraw/zinc/19/08/24/942190824.db2.gz CKVCTTXJTVSRGI-ZETCQYMHSA-N -2 3 285.300 1.028 20 0 CDADHL C[C@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1ccncc1F ZINC001233938202 943695263 /nfs/dbraw/zinc/69/52/63/943695263.db2.gz BDBDQGCXLOJYNP-LURJTMIESA-N -2 3 275.243 1.320 20 0 CDADHL CCCCOC[C@@H](C)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233939364 943695394 /nfs/dbraw/zinc/69/53/94/943695394.db2.gz IMYWLGWJAZKYMD-MRVPVSSYSA-N -2 3 266.301 1.230 20 0 CDADHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]C2=CC=C[CH]2)c1 ZINC001260219311 945810484 /nfs/dbraw/zinc/81/04/84/945810484.db2.gz MWFSJEPBJBWGLZ-UHFFFAOYSA-N -3 3 282.272 1.460 20 0 CDADHL Cc1cc(-c2cncc(-c3nnn[n-]3)c2)ccc1C(=O)[O-] ZINC001243215463 947059650 /nfs/dbraw/zinc/05/96/50/947059650.db2.gz QERHIRXWXFNDBF-UHFFFAOYSA-N -2 3 281.275 1.935 20 0 CDADHL Cc1cc(-c2cncc(-c3nn[n-]n3)c2)ccc1C(=O)[O-] ZINC001243215463 947059661 /nfs/dbraw/zinc/05/96/61/947059661.db2.gz QERHIRXWXFNDBF-UHFFFAOYSA-N -2 3 281.275 1.935 20 0 CDADHL Cc1cc2c(c(-c3ccc([O-])c(F)c3F)n1)C(=O)[N-]C2=O ZINC001243340137 947083955 /nfs/dbraw/zinc/08/39/55/947083955.db2.gz QVYGBMDHWXIBKZ-UHFFFAOYSA-N -2 3 290.225 1.924 20 0 CDADHL O=C([O-])[C@@H]1CCCCCN1C(=O)c1ccc(O)cc1[O-] ZINC000080987884 957768946 /nfs/dbraw/zinc/76/89/46/957768946.db2.gz OXRVHDYAKUMGOM-NSHDSACASA-N -2 3 279.292 1.567 20 0 CDADHL O=C([O-])[C@H]1CSCCN1C(=O)c1ccccc1[O-] ZINC000110293609 958386853 /nfs/dbraw/zinc/38/68/53/958386853.db2.gz VWGGKJUZGILRIE-SECBINFHSA-N -2 3 267.306 1.034 20 0 CDADHL O=C([O-])c1cccc2c1CCN2C(=O)c1cc(=O)[n-]cn1 ZINC001571026598 960441311 /nfs/dbraw/zinc/44/13/11/960441311.db2.gz LIMMAPXPOFIDBA-UHFFFAOYSA-N -2 3 285.259 1.083 20 0 CDADHL CCOc1nc(NC(=O)C2(C(=O)[O-])CCCCCC2)n[n-]1 ZINC001603884835 974383623 /nfs/dbraw/zinc/38/36/23/974383623.db2.gz HUUMVGZLQHHZRQ-UHFFFAOYSA-N -2 3 296.327 1.567 20 0 CDADHL CCOc1n[n-]c(NC(=O)C2(C(=O)[O-])CCCCCC2)n1 ZINC001603884835 974383629 /nfs/dbraw/zinc/38/36/29/974383629.db2.gz HUUMVGZLQHHZRQ-UHFFFAOYSA-N -2 3 296.327 1.567 20 0 CDADHL COC(C)(C)[C@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000720050172 978023376 /nfs/dbraw/zinc/02/33/76/978023376.db2.gz NAZLZRVLIOGVNF-ZETCQYMHSA-N -2 3 291.325 1.070 20 0 CDADHL CSc1nc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)n[n-]1 ZINC001599828910 988639998 /nfs/dbraw/zinc/63/99/98/988639998.db2.gz IWYKYZXYAXTTPW-UHFFFAOYSA-N -2 3 292.320 1.786 20 0 CDADHL CC[C@H](C)[C@@H](OC(=O)c1cccc2nn[n-]c21)C(=O)[O-] ZINC001604943408 1163391334 /nfs/dbraw/zinc/39/13/34/1163391334.db2.gz JOHNJCJYLKPHCR-WRWORJQWSA-N -2 3 277.280 1.614 20 0 CDADHL CC[C@H](C)[C@@H](OC(=O)c1cccc2n[n-]nc21)C(=O)[O-] ZINC001604943408 1163391339 /nfs/dbraw/zinc/39/13/39/1163391339.db2.gz JOHNJCJYLKPHCR-WRWORJQWSA-N -2 3 277.280 1.614 20 0 CDADHL O=C([O-])CN(Cc1ccc([O-])c(F)c1F)C1CC1 ZINC001574368592 1170959783 /nfs/dbraw/zinc/95/97/83/1170959783.db2.gz WRADZKLMVNVNAH-UHFFFAOYSA-N -2 3 257.236 1.719 20 0 CDADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]CC1CCCC1 ZINC000134673931 342071318 /nfs/dbraw/zinc/07/13/18/342071318.db2.gz GJZNGLVANJUEMI-UHFFFAOYSA-N -2 3 290.366 1.310 20 0 CDADHL COc1ccc(C(=O)N(C[C@H](C)C(=O)[O-])C2CC2)c([O-])c1 ZINC000622000199 350925580 /nfs/dbraw/zinc/92/55/80/350925580.db2.gz AUMQSDHCZSHRKM-VIFPVBQESA-N -2 3 293.319 1.726 20 0 CDADHL Cc1ccc(C(=O)N[C@H](C(=O)[O-])C(C)C)c([O-])c1 ZINC000019518634 356489153 /nfs/dbraw/zinc/48/91/53/356489153.db2.gz RXLCDUOLZCZQIZ-NSHDSACASA-N -2 3 251.282 1.540 20 0 CDADHL CCCC[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000035085458 356827178 /nfs/dbraw/zinc/82/71/78/356827178.db2.gz UXUXQCKLJXYOBX-QMMMGPOBSA-N -2 3 277.367 1.670 20 0 CDADHL CC(C)OCCS(=O)(=O)[N-]c1cc(F)ccc1[O-] ZINC000093666482 358624140 /nfs/dbraw/zinc/62/41/40/358624140.db2.gz MHRGFSFOEOPSGN-UHFFFAOYSA-N -2 3 277.317 1.698 20 0 CDADHL O=C([O-])CSCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000346716691 359090030 /nfs/dbraw/zinc/09/00/30/359090030.db2.gz DYNFSCBNZQJWCX-UHFFFAOYSA-N -2 3 275.713 1.802 20 0 CDADHL CCCC[C@@H]([N-]S(=O)(=O)c1cc(C)cs1)C(=O)[O-] ZINC000263276918 359252561 /nfs/dbraw/zinc/25/25/61/359252561.db2.gz YDFFURWZYQTHQD-SECBINFHSA-N -2 3 291.394 1.978 20 0 CDADHL C[C@H](CC(=O)[O-])CC(=O)Nc1cc(F)ccc1[O-] ZINC000634823873 359400550 /nfs/dbraw/zinc/40/05/50/359400550.db2.gz FRHTWPVJDYDMRH-ZETCQYMHSA-N -2 3 255.245 1.971 20 0 CDADHL COc1ccc([O-])c(C(=O)N[C@H](C)[C@H](C)C(=O)[O-])c1 ZINC000132571620 361247734 /nfs/dbraw/zinc/24/77/34/361247734.db2.gz FMYALXYCCVCGQI-JGVFFNPUSA-N -2 3 267.281 1.240 20 0 CDADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]C2CCC2)c1 ZINC000414347240 241163879 /nfs/dbraw/zinc/16/38/79/241163879.db2.gz MVFPYTWWQUKBQA-UHFFFAOYSA-N -2 3 287.312 1.663 20 0 CDADHL O=C(N=c1[nH]c2ccccc2[nH]1)c1ccc([O-])cc1[O-] ZINC000070153690 368702342 /nfs/dbraw/zinc/70/23/42/368702342.db2.gz FBEHMNNLYNQRFN-UHFFFAOYSA-N -2 3 269.260 1.648 20 0 CDADHL COc1ccc(C(=O)N(CC(=O)[O-])C2CC2)c([O-])c1 ZINC000037588546 369202736 /nfs/dbraw/zinc/20/27/36/369202736.db2.gz HRNJHWOOQUITQY-UHFFFAOYSA-N -2 3 265.265 1.090 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]CCCCC(=O)[O-])c(F)c1 ZINC000274884474 371196273 /nfs/dbraw/zinc/19/62/73/371196273.db2.gz DPKAFDDTIYVRRA-UHFFFAOYSA-N -2 3 289.328 1.667 20 0 CDADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccco1 ZINC000578477940 372474462 /nfs/dbraw/zinc/47/44/62/372474462.db2.gz RSMUIXVMFAXZDA-QMMMGPOBSA-N -2 3 261.299 1.059 20 0 CDADHL Cc1oc(C[N-]S(=O)(=O)c2cccnc2)cc1C(=O)[O-] ZINC000038059945 374057176 /nfs/dbraw/zinc/05/71/76/374057176.db2.gz OPWRSIDCGDUUKD-UHFFFAOYSA-N -2 3 296.304 1.160 20 0 CDADHL CC[C@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000054468818 375754902 /nfs/dbraw/zinc/75/49/02/375754902.db2.gz VEDDAEFBRHGSOG-ZETCQYMHSA-N -2 3 277.367 1.771 20 0 CDADHL Cc1ccc(C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])c([O-])c1 ZINC000262778356 190062531 /nfs/dbraw/zinc/06/25/31/190062531.db2.gz IQGDLDKTJXBZAN-QMMMGPOBSA-N -2 3 291.225 1.836 20 0 CDADHL Cc1nc(C=Cc2cncnc2)[n-]c(=O)c1CCC(=O)[O-] ZINC000443448800 250031356 /nfs/dbraw/zinc/03/13/56/250031356.db2.gz ZQCHMEMDKHNGHL-DUXPYHPUSA-N -2 3 286.291 1.468 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC=CCC2)o1 ZINC000088747580 391342166 /nfs/dbraw/zinc/34/21/66/391342166.db2.gz YFIHSEPOCWJMCK-QMMMGPOBSA-N -2 3 271.294 1.365 20 0 CDADHL C/C=C\C[C@H]([N-]S(=O)(=O)c1cc(C)cs1)C(=O)[O-] ZINC000646041457 391928722 /nfs/dbraw/zinc/92/87/22/391928722.db2.gz YNPHQLLBPGHVGJ-TYRPZCRBSA-N -2 3 289.378 1.754 20 0 CDADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(Cl)cc1[O-] ZINC000524147512 393337103 /nfs/dbraw/zinc/33/71/03/393337103.db2.gz RPIGILMCDGRPQF-SECBINFHSA-N -2 3 295.726 1.287 20 0 CDADHL Cc1csc(S(=O)(=O)[N-][C@@H](CCF)C(=O)[O-])c1 ZINC000656163998 413064950 /nfs/dbraw/zinc/06/49/50/413064950.db2.gz DVJDKCMPIRSEGK-ZETCQYMHSA-N -2 3 281.330 1.148 20 0 CDADHL CCCc1nnc([N-]C(=O)c2cnc(C(=O)[O-])cn2)s1 ZINC000263350466 140472417 /nfs/dbraw/zinc/47/24/17/140472417.db2.gz VJMYURHXJCNAPT-UHFFFAOYSA-N -2 3 293.308 1.231 20 0 CDADHL O=C(N=c1[n-]ncs1)c1cc(-c2cccs2)[n-]n1 ZINC000343493553 152201773 /nfs/dbraw/zinc/20/17/73/152201773.db2.gz AIXDUFVTKPJBIV-UHFFFAOYSA-N -2 3 277.334 1.664 20 0 CDADHL Cc1nc(C=CC=Cc2ccncc2)[n-]c(=O)c1CC(=O)[O-] ZINC000349106296 154052510 /nfs/dbraw/zinc/05/25/10/154052510.db2.gz HSTVWIHTHOCJTB-ZUVMSYQZSA-N -2 3 297.314 1.827 20 0 CDADHL CC(C)(C)c1nc(=NC(=O)c2csc(=O)[n-]2)s[n-]1 ZINC000349549669 154136410 /nfs/dbraw/zinc/13/64/10/154136410.db2.gz YCLVWJOYWCTHCF-UHFFFAOYSA-N -2 3 284.366 1.672 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000656722533 413608166 /nfs/dbraw/zinc/60/81/66/413608166.db2.gz DVGKGEXYHSPXKW-ATZCPNFKSA-N -2 3 299.348 1.692 20 0 CDADHL COc1ccc([O-])c(C(=O)N[C@H](C(=O)[O-])C(C)C)c1 ZINC000037433089 173203127 /nfs/dbraw/zinc/20/31/27/173203127.db2.gz GHHVYYLURUMNMM-NSHDSACASA-N -2 3 267.281 1.240 20 0 CDADHL O=C([O-])C1CCC(NC(=O)c2cccc([O-])c2)CC1 ZINC000037561248 173271151 /nfs/dbraw/zinc/27/11/51/173271151.db2.gz XPYXZMVVKNKLOX-UHFFFAOYSA-N -2 3 263.293 1.765 20 0 CDADHL O=C([O-])C1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000037561724 173272554 /nfs/dbraw/zinc/27/25/54/173272554.db2.gz OJMAMONUQWPEKK-UHFFFAOYSA-N -2 3 289.378 1.670 20 0 CDADHL CCC1(C[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)CC1 ZINC000663422300 414243556 /nfs/dbraw/zinc/24/35/56/414243556.db2.gz JFGVHIFCSOXIHW-UHFFFAOYSA-N -2 3 287.337 1.755 20 0 CDADHL Cc1oc(S(=O)(=O)[N-][C@@]2(C)CC2(C)C)cc1C(=O)[O-] ZINC000663443423 414259046 /nfs/dbraw/zinc/25/90/46/414259046.db2.gz DFYHKDYUBURTTF-LBPRGKRZSA-N -2 3 287.337 1.753 20 0 CDADHL O=C([O-])c1ccccc1[N-]S(=O)(=O)[C@H]1CCCOC1 ZINC000547588154 289787828 /nfs/dbraw/zinc/78/78/28/289787828.db2.gz DKFXZHFAUCYLKF-VIFPVBQESA-N -2 3 285.321 1.306 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CC[C@@H](C(=O)[O-])[C@@H](C)C2)n1 ZINC000652496288 424496457 /nfs/dbraw/zinc/49/64/57/424496457.db2.gz QXMOJWVRPWXWMT-GXSJLCMTSA-N -2 3 279.340 1.287 20 0 CDADHL C[C@@H](C[N-]S(=O)(=O)c1cccs1)CC(=O)[O-] ZINC000087980861 279257066 /nfs/dbraw/zinc/25/70/66/279257066.db2.gz OMOMUMPKIGAGOU-SSDOTTSWSA-N -2 3 263.340 1.137 20 0 CDADHL COc1cccc(C(=O)N=c2cc3ccccn3[n-]2)c1[O-] ZINC000557527181 290350145 /nfs/dbraw/zinc/35/01/45/290350145.db2.gz RJXKCMOCOHMQHF-UHFFFAOYSA-N -2 3 283.287 1.723 20 0 CDADHL CC(C)(C)c1nc(NC(=O)c2cnn[n-]2)sc1C(=O)[O-] ZINC001590545136 1173458635 /nfs/dbraw/zinc/45/86/35/1173458635.db2.gz RPFBLNSDRCALCS-UHFFFAOYSA-N -2 3 295.324 1.509 20 0 CDADHL CC(C)(C)c1nc(NC(=O)c2c[n-]nn2)sc1C(=O)[O-] ZINC001590545136 1173458640 /nfs/dbraw/zinc/45/86/40/1173458640.db2.gz RPFBLNSDRCALCS-UHFFFAOYSA-N -2 3 295.324 1.509 20 0 CDADHL CC(C)(C)c1nc(NC(=O)c2cn[n-]n2)sc1C(=O)[O-] ZINC001590545136 1173458644 /nfs/dbraw/zinc/45/86/44/1173458644.db2.gz RPFBLNSDRCALCS-UHFFFAOYSA-N -2 3 295.324 1.509 20 0 CDADHL Cc1csc(S(=O)(=O)[N-]C[C@@H](C)CCC(=O)[O-])c1 ZINC000562643709 293163521 /nfs/dbraw/zinc/16/35/21/293163521.db2.gz BGKWIWUSGXELIB-QMMMGPOBSA-N -2 3 291.394 1.836 20 0 CDADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(C)cs1 ZINC000571737924 294494724 /nfs/dbraw/zinc/49/47/24/294494724.db2.gz VHGBFZXVJGQAMH-SECBINFHSA-N -2 3 291.394 1.978 20 0 CDADHL CCN=c1[n-]nc(SCc2ncccc2[O-])s1 ZINC000576539933 317159271 /nfs/dbraw/zinc/15/92/71/317159271.db2.gz PUTIIFQENDMPAC-UHFFFAOYSA-N -2 3 268.367 1.785 20 0 CDADHL CCOC(=O)c1cc(NC(=O)c2ccc(F)cc2[O-])n[n-]1 ZINC000183289724 323329242 /nfs/dbraw/zinc/32/92/42/323329242.db2.gz QYNRWLGPRCZPFA-UHFFFAOYSA-N -2 3 293.254 1.683 20 0 CDADHL CCOC(=O)c1cc(NC(=O)c2ccc(F)cc2[O-])[n-]n1 ZINC000183289724 323329248 /nfs/dbraw/zinc/32/92/48/323329248.db2.gz QYNRWLGPRCZPFA-UHFFFAOYSA-N -2 3 293.254 1.683 20 0 CDADHL Cc1nsc(NCC2(C(=O)[O-])CCC2)c1-c1nnn[n-]1 ZINC001592488001 1173901479 /nfs/dbraw/zinc/90/14/79/1173901479.db2.gz MMPMLNRBPQQRJN-UHFFFAOYSA-N -2 3 294.340 1.298 20 0 CDADHL CC1(C)C(=O)CCC[C@@H]1OCCP(=O)([O-])[O-] ZINC001224601587 1160779683 /nfs/dbraw/zinc/77/96/83/1160779683.db2.gz IMIQCJIXPJSVDU-VIFPVBQESA-N -2 3 250.231 1.329 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC2CCC2)c(F)c1 ZINC000092114133 538512647 /nfs/dbraw/zinc/51/26/47/538512647.db2.gz MXABVJNXLQZPPG-UHFFFAOYSA-N -2 3 287.312 1.602 20 0 CDADHL Cc1ccc([O-])c(NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)n1 ZINC001600467053 1174485615 /nfs/dbraw/zinc/48/56/15/1174485615.db2.gz KYGPUJUUQQHIAR-GXSJLCMTSA-N -2 3 294.307 1.447 20 0 CDADHL O=C([O-])CCCNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000095141627 1174495941 /nfs/dbraw/zinc/49/59/41/1174495941.db2.gz OASORDKDMGDIJA-UHFFFAOYSA-N -2 3 281.703 1.797 20 0 CDADHL O=C([O-])[C@@H](CF)NC(=O)c1cc2sccc2c([O-])c1 ZINC001601418838 1174865607 /nfs/dbraw/zinc/86/56/07/1174865607.db2.gz GRNDQJKPVGRNEE-MRVPVSSYSA-N -2 3 283.280 1.759 20 0 CDADHL O=C([O-])[C@@H](O)C1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC001601684746 1174944141 /nfs/dbraw/zinc/94/41/41/1174944141.db2.gz MHGYFPDDJYIFBA-ZDUSSCGKSA-N -2 3 299.754 1.703 20 0 CDADHL COc1cccc(C(=O)NCCc2n[n-]c(=S)o2)c1[O-] ZINC000773085698 575781512 /nfs/dbraw/zinc/78/15/12/575781512.db2.gz HBLUDPNBEPJAMV-UHFFFAOYSA-N -2 3 295.320 1.045 20 0 CDADHL CCc1ccc([O-])c(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000737267442 575930366 /nfs/dbraw/zinc/93/03/66/575930366.db2.gz XZNZDNBOSPBEFX-LLVKDONJSA-N -2 3 292.335 1.827 20 0 CDADHL O=C([O-])NCCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000738657910 576101004 /nfs/dbraw/zinc/10/10/04/576101004.db2.gz RMNQUVPLGZIWFU-UHFFFAOYSA-N -2 3 258.661 1.642 20 0 CDADHL O=C([O-])[C@@]1(F)CCN(C(=O)c2ccccc2[O-])C1 ZINC000833357204 601759836 /nfs/dbraw/zinc/75/98/36/601759836.db2.gz ROEFFVFSPQEYNN-GFCCVEGCSA-N -2 3 253.229 1.031 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@H]1CCC[C@@H]2C[C@@H]21 ZINC001602488390 1175260607 /nfs/dbraw/zinc/26/06/07/1175260607.db2.gz GMUQMFAUBFIWDF-JEZHCXPESA-N -2 3 285.321 1.445 20 0 CDADHL C[C@@H](CSCCC[N-]C(=O)C(F)(F)F)C(=O)[O-] ZINC000827574468 604361682 /nfs/dbraw/zinc/36/16/82/604361682.db2.gz BPEJZVJCQVXWRE-LURJTMIESA-N -2 3 273.276 1.509 20 0 CDADHL C[C@H](CC(=O)[O-])CC(=O)Nc1cccc([O-])c1F ZINC000911431176 629280836 /nfs/dbraw/zinc/28/08/36/629280836.db2.gz LSRJCTSILQGUQZ-ZETCQYMHSA-N -2 3 255.245 1.971 20 0 CDADHL O=C([O-])c1cc(C(=O)Nc2cccc([O-])c2F)no1 ZINC001608517016 1164530748 /nfs/dbraw/zinc/53/07/48/1164530748.db2.gz FAICGEDROZPLRD-UHFFFAOYSA-N -2 3 266.184 1.470 20 0 CDADHL O=C([O-])c1ccc(C(=O)N2CCCc3c(=O)[n-]cnc32)o1 ZINC001608872702 1164668037 /nfs/dbraw/zinc/66/80/37/1164668037.db2.gz CJOYVJNCEOMWBL-UHFFFAOYSA-N -2 3 289.247 1.066 20 0 CDADHL COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)[O-] ZINC001609337616 1164905572 /nfs/dbraw/zinc/90/55/72/1164905572.db2.gz BOXKSYJXRHAMHQ-UHFFFAOYSA-N -2 3 278.268 1.119 20 0 CDADHL COc1cccc(-c2cc(=O)n(-c3cc(=O)[n-]cn3)[n-]2)c1 ZINC001245919046 1167409499 /nfs/dbraw/zinc/40/94/99/1167409499.db2.gz IVBZXGRGHNNLPU-UHFFFAOYSA-N -2 3 284.275 1.749 20 0 CDADHL Cc1ccc([O-])c(NC(=O)c2ccc(C(=O)[O-])n2C)n1 ZINC001607811209 1167914611 /nfs/dbraw/zinc/91/46/11/1167914611.db2.gz DWJCXMKGRIKNCE-UHFFFAOYSA-N -2 3 275.264 1.385 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]C/C=C\Cl)oc1C(=O)[O-] ZINC001600298685 1174440543 /nfs/dbraw/zinc/44/05/43/1174440543.db2.gz KMHFEAIRDGEFQG-IHWYPQMZSA-N -2 3 279.701 1.317 20 0 CDADHL CC[C@@H](C(=O)[O-])N(C)Cc1c(F)ccc([O-])c1F ZINC000844935459 728436003 /nfs/dbraw/zinc/43/60/03/728436003.db2.gz FITJZENBYRGPLQ-VIFPVBQESA-N -2 3 259.252 1.965 20 0 CDADHL O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)c3cc([O-])ccc3Cl)C[C@@H]21 ZINC000721210266 729200106 /nfs/dbraw/zinc/20/01/06/729200106.db2.gz HDBZYWAOPFBSCU-UBHAPETDSA-N -2 3 295.722 1.838 20 0 CDADHL CC[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000087500115 729528966 /nfs/dbraw/zinc/52/89/66/729528966.db2.gz LMOVCZMAJRAGBW-SSDOTTSWSA-N -2 3 293.291 1.354 20 0 CDADHL Cc1c2cc(F)ccc2oc1C(=O)[N-]n1c(=O)[n-][nH]c1=O ZINC000816730508 729832476 /nfs/dbraw/zinc/83/24/76/729832476.db2.gz BPFXKRHMMDTYRX-UHFFFAOYSA-N -2 3 292.226 1.267 20 0 CDADHL Cn1ccsc1=NC(=O)c1ccc([O-])cc1[O-] ZINC000254944530 729950828 /nfs/dbraw/zinc/95/08/28/729950828.db2.gz KTDSEKCNEAEPSD-UHFFFAOYSA-N -2 3 250.279 1.239 20 0 CDADHL O=C([O-])c1cc(Nc2cc(=O)[n-]c(=S)[nH]2)cs1 ZINC001176437443 914099996 /nfs/dbraw/zinc/09/99/96/914099996.db2.gz VDJPAQZMOUQULD-UHFFFAOYSA-N -2 3 269.307 1.974 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC3(CC3)C2)o1 ZINC000695625292 899646032 /nfs/dbraw/zinc/64/60/32/899646032.db2.gz DNGQDZWTAHUMQI-SECBINFHSA-N -2 3 299.348 1.979 20 0 CDADHL O=C([N-]Cc1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000095143722 921289107 /nfs/dbraw/zinc/28/91/07/921289107.db2.gz HGDNKVOBBDSQBJ-UHFFFAOYSA-N -2 3 271.202 1.045 20 0 CDADHL CCc1cccc(C)c1NC(=O)NCCP(=O)([O-])[O-] ZINC001189999463 921788242 /nfs/dbraw/zinc/78/82/42/921788242.db2.gz MASGOFLYGYLUBP-UHFFFAOYSA-N -2 3 286.268 1.857 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])[C@@H]1C[C@@H]1C(F)(F)F ZINC001182329303 917789343 /nfs/dbraw/zinc/78/93/43/917789343.db2.gz QKURNZAGIWNOPA-RQJHMYQMSA-N -2 3 289.190 1.259 20 0 CDADHL O=S(=O)([N-]c1cncc([O-])c1)c1ccc2n[nH]cc2c1 ZINC001185945593 919810247 /nfs/dbraw/zinc/81/02/47/919810247.db2.gz IXMVKXIBCRNWOO-UHFFFAOYSA-N -2 3 290.304 1.464 20 0 CDADHL O=S(=O)([N-]c1nc2c(cccc2[O-])s1)c1c[nH]cn1 ZINC001187723978 920624207 /nfs/dbraw/zinc/62/42/07/920624207.db2.gz IYZSCBPUMXBMHR-UHFFFAOYSA-N -2 3 296.333 1.526 20 0 CDADHL Cc1[n-][nH]c2ncnc(=NC(=O)c3ccc(C)cc3[O-])c1-2 ZINC001148492822 932724219 /nfs/dbraw/zinc/72/42/19/932724219.db2.gz UVGPEWHGYFGHCU-UHFFFAOYSA-N -2 3 283.291 1.301 20 0 CDADHL NC(=O)c1ccc(Nc2cccc(CC(=O)[O-])c2)cc1[O-] ZINC001210076673 940661518 /nfs/dbraw/zinc/66/15/18/940661518.db2.gz IRKNTUOIVHXZMB-UHFFFAOYSA-N -2 3 286.287 1.862 20 0 CDADHL NC(=O)c1ccc(Nc2cc(C(=O)[O-])cnc2F)cc1[O-] ZINC001215135986 940860257 /nfs/dbraw/zinc/86/02/57/940860257.db2.gz UPBNSIVRJXMBEE-UHFFFAOYSA-N -2 3 291.238 1.467 20 0 CDADHL CC(C)[C@H](OCCP(=O)([O-])[O-])C(=O)OC(C)(C)C ZINC001224603274 941774537 /nfs/dbraw/zinc/77/45/37/941774537.db2.gz WVHAUHQHVCHACJ-VIFPVBQESA-N -2 3 282.273 1.547 20 0 CDADHL CC(C)Oc1cc(COCCP(=O)([O-])[O-])c(F)cn1 ZINC001224601689 941774771 /nfs/dbraw/zinc/77/47/71/941774771.db2.gz JNWAPTGLAXDFOZ-UHFFFAOYSA-N -2 3 293.231 1.702 20 0 CDADHL CC(C)(C)OC(=O)N1CC[C@@H](OCCP(=O)([O-])[O-])C1 ZINC001224608009 941775252 /nfs/dbraw/zinc/77/52/52/941775252.db2.gz XSTOYKXNCLAPIW-SECBINFHSA-N -2 3 295.272 1.190 20 0 CDADHL Cc1nn(C)cc1[C@@H](C)OCCCCP(=O)([O-])[O-] ZINC001225021498 941814583 /nfs/dbraw/zinc/81/45/83/941814583.db2.gz ICSVWSVLFZAUHE-SNVBAGLBSA-N -2 3 276.273 1.764 20 0 CDADHL C=CC(=O)OC[C@H](C)OCCCCP(=O)([O-])[O-] ZINC001225018727 941814656 /nfs/dbraw/zinc/81/46/56/941814656.db2.gz GNXYAGZTLYMWNI-VIFPVBQESA-N -2 3 266.230 1.079 20 0 CDADHL COC(=O)[C@@]1(C)C[C@@H](OCCCCP(=O)([O-])[O-])C1 ZINC001225019168 941814772 /nfs/dbraw/zinc/81/47/72/941814772.db2.gz AFIUCTOQFRHBPK-JGZJWPJOSA-N -2 3 280.257 1.303 20 0 CDADHL C[C@@H](Oc1[n-]c(=O)nc2nccnc21)C1=CC=C[CH]1 ZINC001226989522 942109866 /nfs/dbraw/zinc/10/98/66/942109866.db2.gz LJRYYFUAYOAOOM-MRVPVSSYSA-N -2 3 255.257 1.593 20 0 CDADHL CC1(C)CC(Oc2nc(=O)[n-]c(=O)[n-]2)CC(C)(C)N1O ZINC001227569084 942190429 /nfs/dbraw/zinc/19/04/29/942190429.db2.gz STTNBAOEECTCNG-UHFFFAOYSA-N -2 3 284.316 1.072 20 0 CDADHL O=c1nc(O[C@H](c2ccccc2)C2CC2)[n-]c(=O)[n-]1 ZINC001227569255 942190831 /nfs/dbraw/zinc/19/08/31/942190831.db2.gz WVHOUZUUEYTXOP-SNVBAGLBSA-N -2 3 259.265 1.813 20 0 CDADHL O=c1nc2cn[n-]c2c(O[C@@H]2CCc3ccccc32)[n-]1 ZINC001233934368 943693461 /nfs/dbraw/zinc/69/34/61/943693461.db2.gz KOLBVQIOYHNRJV-LLVKDONJSA-N -2 3 268.276 1.713 20 0 CDADHL O=c1nc2cn[n-]c2c(OC[C@H]2Cc3ccccc3O2)[n-]1 ZINC001233933472 943693918 /nfs/dbraw/zinc/69/39/18/943693918.db2.gz BTAYIEVIAUGHER-SECBINFHSA-N -2 3 284.275 1.029 20 0 CDADHL Cn1cnc(S(=O)(=O)[N-]c2cccc([O-])c2Cl)c1 ZINC001258999627 945462208 /nfs/dbraw/zinc/46/22/08/945462208.db2.gz XIOUIYVLXHVYKP-UHFFFAOYSA-N -2 3 287.728 1.580 20 0 CDADHL COc1c(C(=O)[O-])cccc1-c1cncc(-c2nnn[n-]2)c1 ZINC001242923728 946932919 /nfs/dbraw/zinc/93/29/19/946932919.db2.gz ROVLAANVMXLTKI-UHFFFAOYSA-N -2 3 297.274 1.636 20 0 CDADHL COc1c(C(=O)[O-])cccc1-c1cncc(-c2nn[n-]n2)c1 ZINC001242923728 946932922 /nfs/dbraw/zinc/93/29/22/946932922.db2.gz ROVLAANVMXLTKI-UHFFFAOYSA-N -2 3 297.274 1.636 20 0 CDADHL O=S(=O)([O-])c1cccc(-c2ccc(F)c([O-])c2)n1 ZINC001243054993 946999176 /nfs/dbraw/zinc/99/91/76/946999176.db2.gz XMGLVPDTFRBDSH-UHFFFAOYSA-N -2 3 269.253 1.840 20 0 CDADHL O=C([O-])c1cccc(C(=O)N2CCc3c(=O)[n-]cnc3C2)c1 ZINC001595240656 949449666 /nfs/dbraw/zinc/44/96/66/949449666.db2.gz IXJLOZLIPXYGMP-UHFFFAOYSA-N -2 3 299.286 1.079 20 0 CDADHL O=C([O-])COC(=O)c1cc2sccc2c([O-])c1 ZINC001595106718 951879867 /nfs/dbraw/zinc/87/98/67/951879867.db2.gz DMLLZOSAEGNPRK-UHFFFAOYSA-N -2 3 252.247 1.848 20 0 CDADHL CCc1oc(CN(C)CCC(=O)[O-])cc1C(=O)[O-] ZINC001593658336 953771845 /nfs/dbraw/zinc/77/18/45/953771845.db2.gz SRHVWZWBUKHWCW-UHFFFAOYSA-N -2 3 255.270 1.447 20 0 CDADHL CSCC[C@H](NC(=O)c1ccccc1[O-])c1nnn[n-]1 ZINC001364089656 954191277 /nfs/dbraw/zinc/19/12/77/954191277.db2.gz SMPHWUNCBIBPIZ-VIFPVBQESA-N -2 3 293.352 1.130 20 0 CDADHL C[C@H]1CCN(C(=O)c2ccc(O)cc2[O-])C[C@H]1C(=O)[O-] ZINC000693496626 954762217 /nfs/dbraw/zinc/76/22/17/954762217.db2.gz PVOITWCTMFYRIS-GZMMTYOYSA-N -2 3 279.292 1.281 20 0 CDADHL CCC(CC)(C(=O)[O-])C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001589481231 954975374 /nfs/dbraw/zinc/97/53/74/954975374.db2.gz PUJMATSSJCBPNZ-UHFFFAOYSA-N -2 3 294.233 1.653 20 0 CDADHL CCC(CC)(C(=O)[O-])C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC001589481231 954975395 /nfs/dbraw/zinc/97/53/95/954975395.db2.gz PUJMATSSJCBPNZ-UHFFFAOYSA-N -2 3 294.233 1.653 20 0 CDADHL Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1cccc(F)c1[O-])C2 ZINC001363346273 972103465 /nfs/dbraw/zinc/10/34/65/972103465.db2.gz LPCUJRQKRBBOTR-UHFFFAOYSA-N -2 3 289.266 1.491 20 0 CDADHL CC(C)(CCNC(=O)c1c([O-])cccc1O)C(=O)[O-] ZINC000388536219 972175165 /nfs/dbraw/zinc/17/51/65/972175165.db2.gz MGJZUJOGLQMFKN-UHFFFAOYSA-N -2 3 267.281 1.329 20 0 CDADHL O=C([O-])C[C@H](NCc1c(F)ccc(F)c1Cl)C(=O)[O-] ZINC001334843716 959402221 /nfs/dbraw/zinc/40/22/21/959402221.db2.gz CCFOYLBBMVOGFY-QMMMGPOBSA-N -2 3 293.653 1.636 20 0 CDADHL O=C([O-])[C@H]1CCCN(Cc2ccc([O-])c(F)c2F)C1 ZINC001574355871 961001971 /nfs/dbraw/zinc/00/19/71/961001971.db2.gz QDKBSMIJLITEAS-VIFPVBQESA-N -2 3 271.263 1.967 20 0 CDADHL CC1(C)CC([N-]S(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC000395271866 972783649 /nfs/dbraw/zinc/78/36/49/972783649.db2.gz SRCYREQDOVJQQY-UHFFFAOYSA-N -2 3 290.366 1.308 20 0 CDADHL O=C([O-])C1(C(=O)NCc2ccc([O-])c(F)c2)CC=CC1 ZINC001605931002 972859955 /nfs/dbraw/zinc/85/99/55/972859955.db2.gz PKSZGLNJDXTPNJ-UHFFFAOYSA-N -2 3 279.267 1.569 20 0 CDADHL COC(=O)c1cnc(S[C@@H](C(=O)[O-])C2CC2)[n-]1 ZINC001604365848 973062877 /nfs/dbraw/zinc/06/28/77/973062877.db2.gz FTFKGQOSVSNPDW-SSDOTTSWSA-N -2 3 256.283 1.152 20 0 CDADHL CC[C@@H]([N-]C(=O)C(F)(F)c1nccs1)C(=O)[O-] ZINC001603901680 974403782 /nfs/dbraw/zinc/40/37/82/974403782.db2.gz RVFRGPIJLYQCCV-RXMQYKEDSA-N -2 3 264.253 1.214 20 0 CDADHL Cc1[nH]c2ccccc2c1CC(=O)[N-]OCCCC(=O)[O-] ZINC001599965785 985901363 /nfs/dbraw/zinc/90/13/63/985901363.db2.gz XSBFLLJDYNVUDX-UHFFFAOYSA-N -2 3 290.319 1.931 20 0 CDADHL CCOc1nnc(NC(=O)c2cc(F)cc(C(=O)[O-])c2)[n-]1 ZINC001597193780 987081425 /nfs/dbraw/zinc/08/14/25/987081425.db2.gz PFSZMNNYDLESNU-UHFFFAOYSA-N -2 3 294.242 1.293 20 0 CDADHL CCOc1nc(NC(=O)c2cc(F)cc(C(=O)[O-])c2)n[n-]1 ZINC001597193780 987081436 /nfs/dbraw/zinc/08/14/36/987081436.db2.gz PFSZMNNYDLESNU-UHFFFAOYSA-N -2 3 294.242 1.293 20 0 CDADHL CCOc1n[n-]c(NC(=O)c2cc(F)cc(C(=O)[O-])c2)n1 ZINC001597193780 987081446 /nfs/dbraw/zinc/08/14/46/987081446.db2.gz PFSZMNNYDLESNU-UHFFFAOYSA-N -2 3 294.242 1.293 20 0 CDADHL C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2c[n-]nn2)c1 ZINC001589533146 987222653 /nfs/dbraw/zinc/22/26/53/987222653.db2.gz YDLFMYAEPUCALA-SSDOTTSWSA-N -2 3 260.253 1.245 20 0 CDADHL C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cn[n-]n2)c1 ZINC001589533146 987222661 /nfs/dbraw/zinc/22/26/61/987222661.db2.gz YDLFMYAEPUCALA-SSDOTTSWSA-N -2 3 260.253 1.245 20 0 CDADHL C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001599880848 989481428 /nfs/dbraw/zinc/48/14/28/989481428.db2.gz DMTXVWDRQFFYHA-SFKDOBOXSA-N -2 3 285.321 1.301 20 0 CDADHL COc1cccc(C(F)(F)C(=O)[N-][C@@H](CF)C(=O)[O-])c1 ZINC001599656597 994590383 /nfs/dbraw/zinc/59/03/83/994590383.db2.gz BNICJEHFKXCETQ-VIFPVBQESA-N -2 3 291.225 1.326 20 0 CDADHL C[C@H](OC(=O)c1ccc(N)c(Cl)c1[O-])C(=O)[O-] ZINC001593583803 995695671 /nfs/dbraw/zinc/69/56/71/995695671.db2.gz AURHFZJBRQRHLM-BYPYZUCNSA-N -2 3 259.645 1.258 20 0 CDADHL CO[C@H]1CCC[C@H](CC(=O)[N-]OCCCC(=O)[O-])C1 ZINC001599111199 997571356 /nfs/dbraw/zinc/57/13/56/997571356.db2.gz BQXWIVJWTVBBKG-QWRGUYRKSA-N -2 3 273.329 1.494 20 0 CDADHL COCC1(S(=O)(=O)[N-]c2cc(OC)ccc2[O-])CC1 ZINC000641686528 365731031 /nfs/dbraw/zinc/73/10/31/365731031.db2.gz YJXLQLDMYCJHGH-UHFFFAOYSA-N -2 3 287.337 1.322 20 0 CDADHL CS[C@H](C)C[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000596087641 343233504 /nfs/dbraw/zinc/23/35/04/343233504.db2.gz JBJOMZYMNFKVDH-SSDOTTSWSA-N -2 3 293.366 1.316 20 0 CDADHL C[C@@H](C[N-]S(=O)(=O)c1ccccc1F)CC(=O)[O-] ZINC000147320550 362418042 /nfs/dbraw/zinc/41/80/42/362418042.db2.gz KNJCGIRNTXUFJY-MRVPVSSYSA-N -2 3 275.301 1.215 20 0 CDADHL Cc1ccc([O-])c(NC(=O)c2ccc(O)cc2[O-])n1 ZINC000447637677 362470697 /nfs/dbraw/zinc/47/06/97/362470697.db2.gz VUXCYXSZVPRVEX-UHFFFAOYSA-N -2 3 260.249 1.759 20 0 CDADHL Cc1ncc(S(=O)(=O)[N-]C[C@H](C)CCC(=O)[O-])s1 ZINC000230102488 346547621 /nfs/dbraw/zinc/54/76/21/346547621.db2.gz SCPHJXJZUQGITE-SSDOTTSWSA-N -2 3 292.382 1.231 20 0 CDADHL CCC[C@@H](C[N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000087501885 349248102 /nfs/dbraw/zinc/24/81/02/349248102.db2.gz IIJWRTZKCNLUNT-QMMMGPOBSA-N -2 3 277.367 1.527 20 0 CDADHL O=C([O-])c1csc(S(=O)(=O)[N-]C2CCC2)c1 ZINC000052209098 363371683 /nfs/dbraw/zinc/37/16/83/363371683.db2.gz VAOAOQSMUHYQCA-UHFFFAOYSA-N -2 3 261.324 1.277 20 0 CDADHL Cc1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC000019441644 356485670 /nfs/dbraw/zinc/48/56/70/356485670.db2.gz KCQLPQYLNISOGR-SNVBAGLBSA-N -2 3 263.293 1.637 20 0 CDADHL COCCS(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC000042808865 357081295 /nfs/dbraw/zinc/08/12/95/357081295.db2.gz WYLNIGYYGCLKGY-UHFFFAOYSA-N -2 3 293.728 1.426 20 0 CDADHL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000070311915 358933363 /nfs/dbraw/zinc/93/33/63/358933363.db2.gz UVCKTBVTHZIFKY-SSDOTTSWSA-N -2 3 293.291 1.496 20 0 CDADHL CCCN(CC(=O)[O-])C(=O)c1cc(C)ccc1[O-] ZINC000038019542 359475190 /nfs/dbraw/zinc/47/51/90/359475190.db2.gz YLFHCMXQROZPNX-UHFFFAOYSA-N -2 3 251.282 1.637 20 0 CDADHL COc1ccc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)c([O-])c1 ZINC000062912887 360030866 /nfs/dbraw/zinc/03/08/66/360030866.db2.gz ZWEKBVIALBLELQ-AWEZNQCLSA-N -2 3 279.292 1.338 20 0 CDADHL CC[C@@H](C)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000092114692 360265843 /nfs/dbraw/zinc/26/58/43/360265843.db2.gz WQMJXRGZLNAVDT-MRVPVSSYSA-N -2 3 289.328 1.848 20 0 CDADHL CSc1nnc(NC(=O)c2cc(F)c([O-])c(F)c2)[n-]1 ZINC000436532531 361528265 /nfs/dbraw/zinc/52/82/65/361528265.db2.gz RVCHHXJJMPKQNP-UHFFFAOYSA-N -2 3 286.263 1.763 20 0 CDADHL CSc1n[n-]c(NC(=O)c2cc(F)c([O-])c(F)c2)n1 ZINC000436532531 361528270 /nfs/dbraw/zinc/52/82/70/361528270.db2.gz RVCHHXJJMPKQNP-UHFFFAOYSA-N -2 3 286.263 1.763 20 0 CDADHL CSc1nc(NC(=O)c2cc(F)c([O-])c(F)c2)n[n-]1 ZINC000436532531 361528275 /nfs/dbraw/zinc/52/82/75/361528275.db2.gz RVCHHXJJMPKQNP-UHFFFAOYSA-N -2 3 286.263 1.763 20 0 CDADHL O=S(=O)([N-]c1cc(Cl)ccc1[O-])N1CCCC1 ZINC000034939292 364193848 /nfs/dbraw/zinc/19/38/48/364193848.db2.gz LRDQJAKNSWJIIV-UHFFFAOYSA-N -2 3 276.745 1.798 20 0 CDADHL Cc1nc(C)c(S(=O)(=O)[N-][C@@H](C)[C@@H](C)C(=O)[O-])s1 ZINC000564178755 367303427 /nfs/dbraw/zinc/30/34/27/367303427.db2.gz PCPFQUILIHDOFZ-RITPCOANSA-N -2 3 292.382 1.147 20 0 CDADHL C/C=C/C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000573799536 371661755 /nfs/dbraw/zinc/66/17/55/371661755.db2.gz VVGGEKDFVGSLTP-SGJFDWMWSA-N -2 3 275.351 1.446 20 0 CDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccs1)C1CCC1 ZINC000399102718 373706592 /nfs/dbraw/zinc/70/65/92/373706592.db2.gz FQCFJGBGMXNHGA-SECBINFHSA-N -2 3 275.351 1.280 20 0 CDADHL O=C(N=c1ccc([O-])n[n-]1)[C@@H]1CCC(=O)c2ccccc21 ZINC000341688114 373901993 /nfs/dbraw/zinc/90/19/93/373901993.db2.gz VNSXWVYHIOAKIF-LLVKDONJSA-N -2 3 283.287 1.303 20 0 CDADHL O=C([O-])CCC[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000261739062 190043224 /nfs/dbraw/zinc/04/32/24/190043224.db2.gz UOCZGRVTDPEKGD-UHFFFAOYSA-N -2 3 297.254 1.247 20 0 CDADHL O=C(Nc1ccncc1[O-])c1cc([O-])ccc1Cl ZINC000344198310 379246346 /nfs/dbraw/zinc/24/63/46/379246346.db2.gz UDEAEBNNYCAYFN-UHFFFAOYSA-N -2 3 264.668 1.820 20 0 CDADHL CC(C)(CCNC(=O)c1ccccc1[O-])C(=O)[O-] ZINC000306106650 390229273 /nfs/dbraw/zinc/22/92/73/390229273.db2.gz STGHUTIHFFQTBX-UHFFFAOYSA-N -2 3 251.282 1.623 20 0 CDADHL O=C(N=c1ccc([O-])n[n-]1)[C@@H]1CCCC[C@@H]1C1CC1 ZINC000648359381 391809765 /nfs/dbraw/zinc/80/97/65/391809765.db2.gz FGLAUVUKFRMQDI-GHMZBOCLSA-N -2 3 261.325 1.759 20 0 CDADHL CCCCC[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000645939881 393408233 /nfs/dbraw/zinc/40/82/33/393408233.db2.gz NZJTUGVUHPEHLH-UHFFFAOYSA-N -2 3 278.355 1.310 20 0 CDADHL O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccccc1[O-] ZINC000021966118 171343457 /nfs/dbraw/zinc/34/34/57/171343457.db2.gz AVPUMHMECACQJM-ZDUSSCGKSA-N -2 3 285.299 1.818 20 0 CDADHL CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000663418577 412177378 /nfs/dbraw/zinc/17/73/78/412177378.db2.gz HSCIYBGHTSOEAV-IONNQARKSA-N -2 3 289.353 1.999 20 0 CDADHL O=C([O-])CC1(NC(=O)c2ccccc2[O-])CCOCC1 ZINC000663122600 413965662 /nfs/dbraw/zinc/96/56/62/413965662.db2.gz KIKOBZPVOOUWFM-UHFFFAOYSA-N -2 3 279.292 1.146 20 0 CDADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])c1 ZINC000037463862 173225487 /nfs/dbraw/zinc/22/54/87/173225487.db2.gz ABVDESXPTHZBDU-MRVPVSSYSA-N -2 3 275.301 1.276 20 0 CDADHL CCc1cc(=O)[n-]c(CN(CC(=O)[O-])CC(C)(C)C)n1 ZINC000662221434 414571095 /nfs/dbraw/zinc/57/10/95/414571095.db2.gz CNYVLUPUQZDQQJ-UHFFFAOYSA-N -2 3 281.356 1.677 20 0 CDADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@H](C(=O)[O-])C1CC1 ZINC000547577246 289787451 /nfs/dbraw/zinc/78/74/51/289787451.db2.gz HXBXPKTYBBRXSH-JTQLQIEISA-N -2 3 287.312 1.276 20 0 CDADHL O=C([O-])Cc1ccc([N-]S(=O)(=O)Cc2ccon2)cc1 ZINC000547869030 289818063 /nfs/dbraw/zinc/81/80/63/289818063.db2.gz HVCKOFGLXVVNDD-UHFFFAOYSA-N -2 3 296.304 1.244 20 0 CDADHL Cc1ccc(C(=O)N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)c([O-])c1 ZINC000569122368 294162902 /nfs/dbraw/zinc/16/29/02/294162902.db2.gz GLXNERGSQVTPGX-MEBBXXQBSA-N -2 3 277.320 1.883 20 0 CDADHL Cc1o[n-]c(=NC(=O)c2csc(=NC3CC3)[n-]2)c1C ZINC000571155395 294378030 /nfs/dbraw/zinc/37/80/30/294378030.db2.gz PFLFYBVECILTBC-UHFFFAOYSA-N -2 3 278.337 1.418 20 0 CDADHL Cc1noc(C)c1S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-] ZINC000050196142 302843802 /nfs/dbraw/zinc/84/38/02/302843802.db2.gz AXIXIAHOXNIHSZ-UHFFFAOYSA-N -2 3 290.341 1.213 20 0 CDADHL CC(C)(C)CC[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000576277226 317109053 /nfs/dbraw/zinc/10/90/53/317109053.db2.gz WDIZLGCHSXYOLK-UHFFFAOYSA-N -2 3 292.382 1.556 20 0 CDADHL CC(C)C(C)(C)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000576825751 317215003 /nfs/dbraw/zinc/21/50/03/317215003.db2.gz DLZXUKGCYTZCRW-UHFFFAOYSA-N -2 3 292.382 1.554 20 0 CDADHL CC(C)C[C@@H](C(=O)[O-])[S@@](=O)c1cccc([O-])c1 ZINC000580625103 324515351 /nfs/dbraw/zinc/51/53/51/324515351.db2.gz SEMFSOQBDVLGJL-GTNSWQLSSA-N -2 3 256.323 1.999 20 0 CDADHL O=C(NCCCc1cc(=O)[nH][n-]1)c1cc(F)c([O-])c(F)c1 ZINC000673544226 482779233 /nfs/dbraw/zinc/77/92/33/482779233.db2.gz UGWSVFBYXDDNDA-UHFFFAOYSA-N -2 3 297.261 1.056 20 0 CDADHL COc1ccc(C(=O)NCC(C)(C)C(=O)[O-])c([O-])c1 ZINC000137469173 483504099 /nfs/dbraw/zinc/50/40/99/483504099.db2.gz HWYVIPFOADCJBJ-UHFFFAOYSA-N -2 3 267.281 1.241 20 0 CDADHL O=S(=O)([N-]c1ncccc1[O-])C1CCCCC1 ZINC000134774430 1161560699 /nfs/dbraw/zinc/56/06/99/1161560699.db2.gz SJMMIVXVLKSGNJ-UHFFFAOYSA-N -2 3 256.327 1.862 20 0 CDADHL CC[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br ZINC000055312925 520047987 /nfs/dbraw/zinc/04/79/87/520047987.db2.gz RXGMJSUGMNXQPL-UHFFFAOYSA-N -2 3 298.114 1.039 20 0 CDADHL O=C([O-])[C@@H](CNC(=O)c1ccccc1[O-])c1ccccc1 ZINC000061608493 527646098 /nfs/dbraw/zinc/64/60/98/527646098.db2.gz KFNARIOLKRALOG-ZDUSSCGKSA-N -2 3 285.299 1.990 20 0 CDADHL Cc1cc(F)c(CC(=O)[N-]OCCCC(=O)[O-])cc1F ZINC001600226390 1174416853 /nfs/dbraw/zinc/41/68/53/1174416853.db2.gz XYTSTAPWFAISFS-UHFFFAOYSA-N -2 3 287.262 1.728 20 0 CDADHL Cc1[nH]nc(S(=O)(=O)[N-]CCC(C)(C)C)c1C(=O)[O-] ZINC001600673721 1174558734 /nfs/dbraw/zinc/55/87/34/1174558734.db2.gz MESCZTDLTXJXQG-UHFFFAOYSA-N -2 3 289.357 1.131 20 0 CDADHL CC(C)(C)c1nc(=S)n(CN2CCC[C@H](C(=O)[O-])C2)[n-]1 ZINC000736303920 575617019 /nfs/dbraw/zinc/61/70/19/575617019.db2.gz SLHKLJFSVZFQMM-VIFPVBQESA-N -2 3 298.412 1.992 20 0 CDADHL Cc1ccc([O-])c(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000738637218 576098164 /nfs/dbraw/zinc/09/81/64/576098164.db2.gz VLAVXHCQNYTMRF-SNVBAGLBSA-N -2 3 278.308 1.573 20 0 CDADHL O=C([O-])NCCCC(=O)NCc1ccc([O-])c(F)c1 ZINC000739959617 576403871 /nfs/dbraw/zinc/40/38/71/576403871.db2.gz ORAOKWPNJZZJSC-UHFFFAOYSA-N -2 3 270.260 1.195 20 0 CDADHL O=C([O-])CCCCNC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC001601988867 1175100656 /nfs/dbraw/zinc/10/06/56/1175100656.db2.gz DGPNMEMKNBNKLI-XFXZXTDPSA-N -2 3 288.303 1.142 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)CC[C@H]1CC1(Cl)Cl ZINC001601994564 1175103793 /nfs/dbraw/zinc/10/37/93/1175103793.db2.gz FFSZEPBZCAFBHV-ZETCQYMHSA-N -2 3 284.139 1.873 20 0 CDADHL CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000388614065 601809843 /nfs/dbraw/zinc/80/98/43/601809843.db2.gz FAOHVGZNOIZSBY-DTWKUNHWSA-N -2 3 287.337 1.835 20 0 CDADHL CCC(CC)(NC(=O)c1ccccc1[O-])C(=O)[O-] ZINC000094240357 600976261 /nfs/dbraw/zinc/97/62/61/600976261.db2.gz IAYMNFZPYTVLLB-UHFFFAOYSA-N -2 3 251.282 1.765 20 0 CDADHL CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccccc1[O-] ZINC000828645562 601134479 /nfs/dbraw/zinc/13/44/79/601134479.db2.gz QKFBYDKZPPGBTJ-ZDUSSCGKSA-N -2 3 251.282 1.765 20 0 CDADHL CCc1oc(C(=O)[O-])cc1COC(=O)c1cncc([O-])c1 ZINC000830395348 601466327 /nfs/dbraw/zinc/46/63/27/601466327.db2.gz ZAOUCDPGEJXGSS-UHFFFAOYSA-N -2 3 291.259 1.998 20 0 CDADHL CC(C)[C@H](NC(=O)[O-])C(=O)Nc1cccc([O-])c1F ZINC000833509194 605714692 /nfs/dbraw/zinc/71/46/92/605714692.db2.gz HJIJNJJNZNQLEJ-JTQLQIEISA-N -2 3 270.260 1.762 20 0 CDADHL C[C@@H](C(=O)[O-])N(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000908989395 628459235 /nfs/dbraw/zinc/45/92/35/628459235.db2.gz WUQNIYNMBCZCFU-VIFPVBQESA-N -2 3 283.299 1.786 20 0 CDADHL CN(CCC(=O)[O-])C(=O)Cc1ccc([O-])c(F)c1 ZINC000909168276 628557487 /nfs/dbraw/zinc/55/74/87/628557487.db2.gz PWNODHVPWYYFKX-UHFFFAOYSA-N -2 3 255.245 1.007 20 0 CDADHL CC(=O)c1ccc(C(=O)N2CCC[C@@H]2CC(=O)[O-])cc1[O-] ZINC000909741094 628657517 /nfs/dbraw/zinc/65/75/17/628657517.db2.gz YFEBMXSLCRCJNU-LLVKDONJSA-N -2 3 291.303 1.674 20 0 CDADHL O=C([O-])CNc1ccc(-c2nn[n-]n2)cc1Br ZINC001606958437 1164038152 /nfs/dbraw/zinc/03/81/52/1164038152.db2.gz URTMMFWAUTUZLY-UHFFFAOYSA-N -2 3 298.100 1.126 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]C2(C3CCC3)CC2)oc1C(=O)[O-] ZINC001607705771 1164277089 /nfs/dbraw/zinc/27/70/89/1164277089.db2.gz GLYHJAGQKBWXBA-UHFFFAOYSA-N -2 3 299.348 1.897 20 0 CDADHL Cn1ccc2cccc([N-]S(=O)(=O)CCC(=O)[O-])c21 ZINC001608128380 1164419593 /nfs/dbraw/zinc/41/95/93/1164419593.db2.gz LBJPDLHPPNKTGI-UHFFFAOYSA-N -2 3 282.321 1.395 20 0 CDADHL O=C([O-])c1coc(/C=C\C(=O)[N-]OC/C=C/Cl)c1 ZINC001608285935 1164480589 /nfs/dbraw/zinc/48/05/89/1164480589.db2.gz YCIZSQVDABYGIN-QJZZYWSGSA-N -2 3 271.656 1.791 20 0 CDADHL O=C([O-])C[C@H](CNCc1c(F)cccc1Cl)C(=O)[O-] ZINC001646239760 1167718204 /nfs/dbraw/zinc/71/82/04/1167718204.db2.gz WZZCXRKDCWHQKA-SSDOTTSWSA-N -2 3 289.690 1.744 20 0 CDADHL C[C@@H](CN(C)c1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)[O-] ZINC001589845697 1173190512 /nfs/dbraw/zinc/19/05/12/1173190512.db2.gz VTKMUVFMACRPMO-ZETCQYMHSA-N -2 3 295.730 1.677 20 0 CDADHL C[C@@H](CN(C)c1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)[O-] ZINC001589845697 1173190515 /nfs/dbraw/zinc/19/05/15/1173190515.db2.gz VTKMUVFMACRPMO-ZETCQYMHSA-N -2 3 295.730 1.677 20 0 CDADHL Cc1cc(SCc2n[nH]c(=O)[n-]2)ccc1-c1nnn[n-]1 ZINC001592068258 1173794679 /nfs/dbraw/zinc/79/46/79/1173794679.db2.gz ZGKJJKCWFHGMCB-UHFFFAOYSA-N -2 3 289.324 1.291 20 0 CDADHL Cc1cc(SCc2n[nH]c(=O)[n-]2)ccc1-c1nn[n-]n1 ZINC001592068258 1173794684 /nfs/dbraw/zinc/79/46/84/1173794684.db2.gz ZGKJJKCWFHGMCB-UHFFFAOYSA-N -2 3 289.324 1.291 20 0 CDADHL Cc1cccc([O-])c1C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC001600542801 1174501072 /nfs/dbraw/zinc/50/10/72/1174501072.db2.gz PQCQXKGMPFCGIG-UHFFFAOYSA-N -2 3 275.264 1.234 20 0 CDADHL C[C@H](CNc1ccc(-c2nn[n-]n2)cc1F)C(=O)[O-] ZINC000095227842 1174516114 /nfs/dbraw/zinc/51/61/14/1174516114.db2.gz YAZZLZXPJRCMED-ZCFIWIBFSA-N -2 3 265.248 1.138 20 0 CDADHL N[C@H](CCC(=O)[O-])C(=O)Nc1cccc(Cl)c1[O-] ZINC001601177476 1174774596 /nfs/dbraw/zinc/77/45/96/1174774596.db2.gz NYWGGHLXKJDNBW-SSDOTTSWSA-N -2 3 272.688 1.176 20 0 CDADHL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]C(CF)CF ZINC001602230683 1175175404 /nfs/dbraw/zinc/17/54/04/1175175404.db2.gz OEENLWPFSYCBHS-UHFFFAOYSA-N -2 3 297.254 1.110 20 0 CDADHL O=C([O-])[C@]12C[C@H]1CCCN2C(=O)c1ccc(O)cc1[O-] ZINC001602626034 1175328685 /nfs/dbraw/zinc/32/86/85/1175328685.db2.gz VLMNMIRXXRRPSV-CLAHSXSESA-N -2 3 277.276 1.177 20 0 CDADHL CC[C@@](C)(OC)C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001603990721 1175711147 /nfs/dbraw/zinc/71/11/47/1175711147.db2.gz QEOROYKLWUHSAP-CYBMUJFWSA-N -2 3 291.311 1.092 20 0 CDADHL CC[C@@](C)(OC)C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001603990721 1175711153 /nfs/dbraw/zinc/71/11/53/1175711153.db2.gz QEOROYKLWUHSAP-CYBMUJFWSA-N -2 3 291.311 1.092 20 0 CDADHL COC[C@](C)(NC(=O)c1cc(SC)ccc1[O-])C(=O)[O-] ZINC001606790369 1163993863 /nfs/dbraw/zinc/99/38/63/1163993863.db2.gz ZPFRSIWYUKBYMU-ZDUSSCGKSA-N -2 3 299.348 1.334 20 0 CDADHL C[C@H]1CN(C(=O)Cc2ccc([O-])c(F)c2)CC[C@H]1C(=O)[O-] ZINC001607471076 1164193305 /nfs/dbraw/zinc/19/33/05/1164193305.db2.gz JMGQGNFFMIFPGR-GXSJLCMTSA-N -2 3 295.310 1.643 20 0 CDADHL O=C([O-])[C@H]1CCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000780687294 731868123 /nfs/dbraw/zinc/86/81/23/731868123.db2.gz ZYDUCENLJKECOJ-SNVBAGLBSA-N -2 3 282.271 1.290 20 0 CDADHL CC[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C(=O)[O-] ZINC000841776091 732285714 /nfs/dbraw/zinc/28/57/14/732285714.db2.gz GMMCBTXPISPVDI-SSDOTTSWSA-N -2 3 296.707 1.016 20 0 CDADHL CC(C)(C)O[N-]C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001609668685 1165031572 /nfs/dbraw/zinc/03/15/72/1165031572.db2.gz IRLMVLYTERPKNB-UHFFFAOYSA-N -2 3 255.314 1.868 20 0 CDADHL CCc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)c([O-])c1 ZINC001610060249 1165199082 /nfs/dbraw/zinc/19/90/82/1165199082.db2.gz KJNYDZRIZCAZMT-MWLCHTKSSA-N -2 3 277.320 1.890 20 0 CDADHL CCCCC[C@H]([N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000829932560 936438964 /nfs/dbraw/zinc/43/89/64/936438964.db2.gz KRFBBECVUDSULQ-VIFPVBQESA-N -2 3 275.326 1.591 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])[C@@H]1C[C@H]1C(F)(F)F ZINC001182329302 917788084 /nfs/dbraw/zinc/78/80/84/917788084.db2.gz QKURNZAGIWNOPA-RNFRBKRXSA-N -2 3 289.190 1.259 20 0 CDADHL Cc1c(Cl)cccc1NC(=O)NCCP(=O)([O-])[O-] ZINC001184696890 919233525 /nfs/dbraw/zinc/23/35/25/919233525.db2.gz AJHOKPZSXOQEJX-UHFFFAOYSA-N -2 3 292.659 1.948 20 0 CDADHL C[C@@H](NC(=O)NCCP(=O)([O-])[O-])c1ccc(F)cc1 ZINC001193157765 923500433 /nfs/dbraw/zinc/50/04/33/923500433.db2.gz PWDSIOBWAYDXRG-MRVPVSSYSA-N -2 3 290.231 1.364 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])OC1CCCC1 ZINC001193579245 923782776 /nfs/dbraw/zinc/78/27/76/923782776.db2.gz NHPPYJBJUHIPBO-UHFFFAOYSA-N -2 3 265.246 1.613 20 0 CDADHL CCOC(=O)c1cnc(NC(=O)c2nc(C)ccc2[O-])[n-]1 ZINC001195318829 924549230 /nfs/dbraw/zinc/54/92/30/924549230.db2.gz OHNPMMBLQMBFHI-UHFFFAOYSA-N -2 3 290.279 1.248 20 0 CDADHL Nc1ccc(C(=O)NC2CCC(C(=O)[O-])CC2)c([O-])c1 ZINC000841845365 937017385 /nfs/dbraw/zinc/01/73/85/937017385.db2.gz UGDLQEPXRMVTNM-UHFFFAOYSA-N -2 3 278.308 1.348 20 0 CDADHL C[C@@H](COc1nc(=O)[n-]c(=O)[n-]1)Oc1ccccc1 ZINC001227570453 942190759 /nfs/dbraw/zinc/19/07/59/942190759.db2.gz KZLUPXPTOGZSES-QMMMGPOBSA-N -2 3 263.253 1.129 20 0 CDADHL O=c1nc2cn[n-]c2c(O[C@H]2CCCC[C@H]2F)[n-]1 ZINC001233939923 943696484 /nfs/dbraw/zinc/69/64/84/943696484.db2.gz QOPXEDHNVIDIOP-SVRRBLITSA-N -2 3 252.249 1.306 20 0 CDADHL O=C([O-])c1cnc(F)c(-c2ccccc2-c2nnn[n-]2)c1 ZINC001244760404 947461943 /nfs/dbraw/zinc/46/19/43/947461943.db2.gz MNVPKGDJCHDUMD-UHFFFAOYSA-N -2 3 285.238 1.766 20 0 CDADHL O=C([O-])c1cnc(F)c(-c2ccccc2-c2nn[n-]n2)c1 ZINC001244760404 947461947 /nfs/dbraw/zinc/46/19/47/947461947.db2.gz MNVPKGDJCHDUMD-UHFFFAOYSA-N -2 3 285.238 1.766 20 0 CDADHL O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1cc(=O)c2ccccc2[n-]1 ZINC001594799656 953727556 /nfs/dbraw/zinc/72/75/56/953727556.db2.gz RAXVRPOPGIWSPS-KYZUINATSA-N -2 3 286.287 1.121 20 0 CDADHL O=C([O-])/C=C/c1cc(C(=O)[N-]c2nc(C3CC3)no2)co1 ZINC001594970184 955103257 /nfs/dbraw/zinc/10/32/57/955103257.db2.gz FFOLDVTXSMTQGB-ONEGZZNKSA-N -2 3 289.247 1.890 20 0 CDADHL COC(=O)c1cnc(SCCCCC(=O)[O-])[n-]1 ZINC001593867702 955600378 /nfs/dbraw/zinc/60/03/78/955600378.db2.gz JULYVPXGSDAXKP-UHFFFAOYSA-N -2 3 258.299 1.543 20 0 CDADHL C[C@H](NC(=O)c1ccccc1[O-])c1nn(C)cc1[O-] ZINC001304545744 956206460 /nfs/dbraw/zinc/20/64/60/956206460.db2.gz ZRHBWEXZCOATKQ-QMMMGPOBSA-N -2 3 261.281 1.322 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCC2=CCCC2)o1 ZINC000228555953 960025898 /nfs/dbraw/zinc/02/58/98/960025898.db2.gz YGYVXEYJNMHVLL-UHFFFAOYSA-N -2 3 285.321 1.757 20 0 CDADHL O=C([O-])Cc1ccc(NC(=O)c2cc(=O)[n-]cn2)cc1 ZINC001570999532 963207573 /nfs/dbraw/zinc/20/75/73/963207573.db2.gz GORUCOHWXYUBJA-UHFFFAOYSA-N -2 3 273.248 1.062 20 0 CDADHL C=CC(=O)Nc1ccc([O-])c(C(=O)NCCCC(=O)[O-])c1 ZINC001588450486 964096640 /nfs/dbraw/zinc/09/66/40/964096640.db2.gz NOEKHTYDRCTDTQ-UHFFFAOYSA-N -2 3 292.291 1.111 20 0 CDADHL CC[C@@H](OC(=O)c1ccc(N)c(Cl)c1[O-])C(=O)[O-] ZINC001595347662 980641886 /nfs/dbraw/zinc/64/18/86/980641886.db2.gz DJKYOKVHKHKTLG-SSDOTTSWSA-N -2 3 273.672 1.648 20 0 CDADHL CCCN(C(=O)c1cc(=O)[n-]c(C2CC2)n1)[C@H](C)C(=O)[O-] ZINC001573749730 983098270 /nfs/dbraw/zinc/09/82/70/983098270.db2.gz SBIDNRGKJGHGOS-MRVPVSSYSA-N -2 3 293.323 1.385 20 0 CDADHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1)C(F)(F)F ZINC001599842433 988866689 /nfs/dbraw/zinc/86/66/89/988866689.db2.gz GIGZGDGIBFCHRR-RXMQYKEDSA-N -2 3 298.242 1.009 20 0 CDADHL COc1cccc2c(C(=O)O[C@@H](C)C(=O)[O-])n[n-]c21 ZINC001599689527 991045048 /nfs/dbraw/zinc/04/50/48/991045048.db2.gz OMPNSROCBDDXNL-LURJTMIESA-N -2 3 264.237 1.201 20 0 CDADHL CCOC(=O)c1cnc(NC(=O)c2ccccc2[O-])[n-]1 ZINC000585681753 342453278 /nfs/dbraw/zinc/45/32/78/342453278.db2.gz KOTNBGWHDGNAJD-UHFFFAOYSA-N -2 3 275.264 1.544 20 0 CDADHL CCOC(=O)c1c[n-]c(NC(=O)c2ccccc2[O-])n1 ZINC000585681753 342453279 /nfs/dbraw/zinc/45/32/79/342453279.db2.gz KOTNBGWHDGNAJD-UHFFFAOYSA-N -2 3 275.264 1.544 20 0 CDADHL CC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)CCC1 ZINC000232971566 342035032 /nfs/dbraw/zinc/03/50/32/342035032.db2.gz KKXUZQJQBMBYMA-UHFFFAOYSA-N -2 3 289.378 1.915 20 0 CDADHL O=C(N=c1ccc([O-])n[n-]1)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000622847532 342261180 /nfs/dbraw/zinc/26/11/80/342261180.db2.gz YYVVPJPKZCVOGQ-IWIIMEHWSA-N -2 3 261.325 1.759 20 0 CDADHL N=c1nc(CCNC(=O)c2cc([O-])c3ccccc3c2)o[n-]1 ZINC000354613512 539100986 /nfs/dbraw/zinc/10/09/86/539100986.db2.gz JPKRIVBXCXMQLP-UHFFFAOYSA-N -2 3 298.302 1.313 20 0 CDADHL COCC1(S(=O)(=O)[N-]c2cccc(C)c2[O-])CC1 ZINC000641684584 365723742 /nfs/dbraw/zinc/72/37/42/365723742.db2.gz PJSGKPPDUMNRMK-UHFFFAOYSA-N -2 3 271.338 1.621 20 0 CDADHL O=C([O-])[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccs1 ZINC000085328008 179018729 /nfs/dbraw/zinc/01/87/29/179018729.db2.gz RWMRWXHWXNKTCZ-BDAKNGLRSA-N -2 3 289.378 1.670 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]C[C@H](C)C(=O)[O-])c(F)cc1F ZINC000274900423 365848950 /nfs/dbraw/zinc/84/89/50/365848950.db2.gz HZSNTTJMVAEALJ-ZETCQYMHSA-N -2 3 293.291 1.272 20 0 CDADHL O=C(NCCCc1cc(=O)[nH][n-]1)c1ccc([O-])c(Cl)c1 ZINC000614921229 348274777 /nfs/dbraw/zinc/27/47/77/348274777.db2.gz BIGIITXQBSJDIN-UHFFFAOYSA-N -2 3 295.726 1.432 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]CC2CC(C)C2)oc1C(=O)[O-] ZINC000622039520 350946701 /nfs/dbraw/zinc/94/67/01/350946701.db2.gz HZRQCBJXUQCOAB-UHFFFAOYSA-N -2 3 287.337 1.611 20 0 CDADHL C[C@@H]1CCc2c(=O)n(-c3cn[n-]c(=O)c3Cl)[n-]c21 ZINC000634587086 356466520 /nfs/dbraw/zinc/46/65/20/356466520.db2.gz DXSWEPVFTIYABQ-RITPCOANSA-N -2 3 266.688 1.584 20 0 CDADHL Cc1ccc([O-])c(C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000263365813 357448580 /nfs/dbraw/zinc/44/85/80/357448580.db2.gz TVNHYFJSWRNIIY-QWRGUYRKSA-N -2 3 277.320 1.883 20 0 CDADHL CCC[C@@H](NC(=O)c1c([O-])cccc1F)c1nnn[n-]1 ZINC000187776931 357805509 /nfs/dbraw/zinc/80/55/09/357805509.db2.gz DWHLFKMSCXSOQU-MRVPVSSYSA-N -2 3 279.275 1.316 20 0 CDADHL CCC[C@@H](NC(=O)c1c([O-])cccc1F)c1nn[n-]n1 ZINC000187776931 357805523 /nfs/dbraw/zinc/80/55/23/357805523.db2.gz DWHLFKMSCXSOQU-MRVPVSSYSA-N -2 3 279.275 1.316 20 0 CDADHL Cc1ccc(C(=O)N[C@H](C)[C@@H](C)C(=O)[O-])c([O-])c1 ZINC000132834119 361281099 /nfs/dbraw/zinc/28/10/99/361281099.db2.gz PGJJMGNCFRHUMH-RKDXNWHRSA-N -2 3 251.282 1.540 20 0 CDADHL CCc1ncc(S(=O)(=O)[N-]C[C@@H](CC)C(=O)[O-])s1 ZINC000681573171 482914077 /nfs/dbraw/zinc/91/40/77/482914077.db2.gz ZGQVBRORQVYPCO-SSDOTTSWSA-N -2 3 292.382 1.095 20 0 CDADHL C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC000130971651 375356479 /nfs/dbraw/zinc/35/64/79/375356479.db2.gz ARVNYGZHYAVXEP-VXNVDRBHSA-N -2 3 289.378 1.913 20 0 CDADHL O=C([O-])c1ccc(C(=O)Nc2ccccc2[O-])cn1 ZINC000640232782 376101774 /nfs/dbraw/zinc/10/17/74/376101774.db2.gz VCDCYTOMRBSOCI-UHFFFAOYSA-N -2 3 258.233 1.738 20 0 CDADHL CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])c([O-])c1 ZINC000592993005 391439681 /nfs/dbraw/zinc/43/96/81/391439681.db2.gz DIOGDQOLOAPENC-RKDXNWHRSA-N -2 3 293.275 1.228 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C)cc1C(=O)[O-] ZINC000516968707 392802164 /nfs/dbraw/zinc/80/21/64/392802164.db2.gz ZJDHKJLYGRKEMN-SVRRBLITSA-N -2 3 273.310 1.221 20 0 CDADHL Cc1cccc2c(=O)c(C(=O)NC[C@@H](C)C(=O)[O-])c[n-]c12 ZINC000656231371 413128398 /nfs/dbraw/zinc/12/83/98/413128398.db2.gz JHRZJQXAIDQRDB-SECBINFHSA-N -2 3 288.303 1.287 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C2CCC2)c(F)c1 ZINC000092114674 147000030 /nfs/dbraw/zinc/00/00/30/147000030.db2.gz VSZFOFFYSAVTLF-UHFFFAOYSA-N -2 3 273.285 1.355 20 0 CDADHL C/C=C/C[C@@H](NC(=O)c1ccc(C)cc1[O-])C(=O)[O-] ZINC000262771002 149112926 /nfs/dbraw/zinc/11/29/26/149112926.db2.gz HHADPIXVQSZNPX-PGLGOXFNSA-N -2 3 263.293 1.850 20 0 CDADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2cccnc2)c1 ZINC000021511294 171310443 /nfs/dbraw/zinc/31/04/43/171310443.db2.gz CUBKHJNZTXBRQV-UHFFFAOYSA-N -2 3 298.345 1.320 20 0 CDADHL CC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000035410713 172181560 /nfs/dbraw/zinc/18/15/60/172181560.db2.gz UKTQTAXIIOWZEH-SSDOTTSWSA-N -2 3 295.719 1.621 20 0 CDADHL Cc1noc([C@H](C)[N-]S(=O)(=O)c2ccccc2[O-])n1 ZINC000656892179 413777393 /nfs/dbraw/zinc/77/73/93/413777393.db2.gz ZEPLNFXGPNTCEX-ZETCQYMHSA-N -2 3 283.309 1.123 20 0 CDADHL O=C([O-])[C@@H](C(=O)NCc1ncccc1[O-])C1CCCC1 ZINC000663040699 413852136 /nfs/dbraw/zinc/85/21/36/413852136.db2.gz FFUJVTWMKBXMKH-GFCCVEGCSA-N -2 3 278.308 1.294 20 0 CDADHL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000037418179 173195721 /nfs/dbraw/zinc/19/57/21/173195721.db2.gz UFUDLOZQPDVRHO-ZCFIWIBFSA-N -2 3 295.719 1.621 20 0 CDADHL O=C([O-])c1ccc(NC(=O)c2ccc3n[n-]nc3c2)cc1 ZINC000037430586 173201319 /nfs/dbraw/zinc/20/13/19/173201319.db2.gz FEKNOVDWGFGZMB-UHFFFAOYSA-N -2 3 282.259 1.908 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]CC(C)(C)C)oc1C(=O)[O-] ZINC000663421572 414244932 /nfs/dbraw/zinc/24/49/32/414244932.db2.gz UOSGIUDNDJGMIC-UHFFFAOYSA-N -2 3 275.326 1.611 20 0 CDADHL O=C([O-])CCCN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000662222277 414572674 /nfs/dbraw/zinc/57/26/74/414572674.db2.gz FSRMGZYOESWTSY-GFCCVEGCSA-N -2 3 263.293 1.535 20 0 CDADHL COCCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000044352754 175166551 /nfs/dbraw/zinc/16/65/51/175166551.db2.gz PGAMDQIMWMDEME-UHFFFAOYSA-N -2 3 293.366 1.151 20 0 CDADHL COC[C@@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000044476138 175178571 /nfs/dbraw/zinc/17/85/71/175178571.db2.gz IZOUCBFRVGWJEN-ZETCQYMHSA-N -2 3 293.366 1.007 20 0 CDADHL CC1(C)C[C@]1(C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000663448421 423818640 /nfs/dbraw/zinc/81/86/40/423818640.db2.gz SBUFRUOFJPBNEU-NSHDSACASA-N -2 3 273.310 1.445 20 0 CDADHL Cc1ccc(C(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])c([O-])c1 ZINC000653318559 424564427 /nfs/dbraw/zinc/56/44/27/424564427.db2.gz PDIBNVSGXUDFEQ-MWLCHTKSSA-N -2 3 263.293 1.778 20 0 CDADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C(C)C ZINC000569100785 294155653 /nfs/dbraw/zinc/15/56/53/294155653.db2.gz PYFOAKZOYUHDRS-UHFFFAOYSA-N -2 3 279.339 1.142 20 0 CDADHL Cc1oc(S(=O)(=O)[N-][C@H]2CC=CCC2)cc1C(=O)[O-] ZINC000573362581 294803027 /nfs/dbraw/zinc/80/30/27/294803027.db2.gz IHVOIBMEGZFNCB-VIFPVBQESA-N -2 3 285.321 1.673 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)C2CC2)o1 ZINC000575049508 295092087 /nfs/dbraw/zinc/09/20/87/295092087.db2.gz DYWLMSZCMGQJEE-KCJUWKMLSA-N -2 3 287.337 1.366 20 0 CDADHL Cc1csc(S(=O)(=O)[N-][C@H](C)CCCC(=O)[O-])c1 ZINC000579804824 324283587 /nfs/dbraw/zinc/28/35/87/324283587.db2.gz SOMXGVWWNJRQHW-SECBINFHSA-N -2 3 291.394 1.978 20 0 CDADHL C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000583142287 325114680 /nfs/dbraw/zinc/11/46/80/325114680.db2.gz LUVULNVPRSKDGI-CBAPKCEASA-N -2 3 273.310 1.445 20 0 CDADHL CNC(=O)c1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc1 ZINC000670369805 482844693 /nfs/dbraw/zinc/84/46/93/482844693.db2.gz COAMMKIUIWUUBX-QPJJXVBHSA-N -2 3 299.286 1.410 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]CCCCC(=O)[O-])o1 ZINC000669450081 483148643 /nfs/dbraw/zinc/14/86/43/483148643.db2.gz FSVGITJYFDDENI-UHFFFAOYSA-N -2 3 261.299 1.121 20 0 CDADHL O=C(Nc1ncccc1[O-])c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000336937731 527522249 /nfs/dbraw/zinc/52/22/49/527522249.db2.gz FSQQEKFARSPPKW-UHFFFAOYSA-N -2 3 298.258 1.383 20 0 CDADHL O=C([N-]CCCOC(=O)c1ccc([O-])cc1)C(F)(F)F ZINC000774885789 575248906 /nfs/dbraw/zinc/24/89/06/575248906.db2.gz ILHAZNHJHUDEJI-UHFFFAOYSA-N -2 3 291.225 1.618 20 0 CDADHL O=C([O-])CCc1nnc([N-]C(=O)c2ccnc(F)c2)s1 ZINC000739781181 576293020 /nfs/dbraw/zinc/29/30/20/576293020.db2.gz KCTWYHMWDNRHLJ-UHFFFAOYSA-N -2 3 296.283 1.342 20 0 CDADHL O=C([O-])CCCCNC(=O)c1ccc(O)cc1[O-] ZINC000070199789 597670376 /nfs/dbraw/zinc/67/03/76/597670376.db2.gz SCCWWYUPNBIRKQ-UHFFFAOYSA-N -2 3 253.254 1.083 20 0 CDADHL O=C([O-])c1ccc(CNC(=O)c2cncc([O-])c2)o1 ZINC000094554608 600535419 /nfs/dbraw/zinc/53/54/19/600535419.db2.gz FDCUFNMLZFYHQE-UHFFFAOYSA-N -2 3 262.221 1.008 20 0 CDADHL O=C([O-])CC1([N-]C(=O)C(F)(F)C(F)F)CCC1 ZINC000236421817 601431744 /nfs/dbraw/zinc/43/17/44/601431744.db2.gz TVIGMQYRIRDHBQ-UHFFFAOYSA-N -2 3 257.183 1.400 20 0 CDADHL CC[C@@](C)(NC(=O)NCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909049844 628491589 /nfs/dbraw/zinc/49/15/89/628491589.db2.gz WEECCBMRQXDQKP-CYBMUJFWSA-N -2 3 284.287 1.584 20 0 CDADHL CCn1nc(C)c([N-]c2nc(C(=O)[O-])co2)c1C ZINC000910363010 629027200 /nfs/dbraw/zinc/02/72/00/629027200.db2.gz JZDMXLMFJUJENS-UHFFFAOYSA-N -2 3 250.258 1.950 20 0 CDADHL CC(C)[C@@H](C(=O)[O-])C(=O)Nc1cccc([O-])c1F ZINC000911430566 629281205 /nfs/dbraw/zinc/28/12/05/629281205.db2.gz DJYUQGHLBRFENZ-SECBINFHSA-N -2 3 255.245 1.827 20 0 CDADHL O=C([O-])c1ccc(CC(=O)[N-]OC[C@@H]2CCOC2)cc1 ZINC000911801491 629530036 /nfs/dbraw/zinc/53/00/36/629530036.db2.gz BEFCOIIHKUKMFY-LLVKDONJSA-N -2 3 279.292 1.012 20 0 CDADHL O=C([O-])c1ccc(CC(=O)[N-]OCCC(F)(F)F)cc1 ZINC000911804605 629534742 /nfs/dbraw/zinc/53/47/42/629534742.db2.gz GCBRJWMJIZDVGZ-UHFFFAOYSA-N -2 3 291.225 1.928 20 0 CDADHL Cc1ccc(NC2(CC(=O)[O-])CCC2)nc1-c1nnn[n-]1 ZINC001605871548 1163700748 /nfs/dbraw/zinc/70/07/48/1163700748.db2.gz GKXLOZXSUZHSMI-UHFFFAOYSA-N -2 3 288.311 1.379 20 0 CDADHL O=C([O-])c1ccccc1C(=O)N1CCc2c(=O)[n-]cnc2C1 ZINC001608944071 1164689614 /nfs/dbraw/zinc/68/96/14/1164689614.db2.gz KBIIOAOQYOFVGM-UHFFFAOYSA-N -2 3 299.286 1.079 20 0 CDADHL O=C([O-])c1ccccc1COC(=O)c1cncc([O-])c1 ZINC001609024873 1164732596 /nfs/dbraw/zinc/73/25/96/1164732596.db2.gz PRMXDBOIOZDGLC-UHFFFAOYSA-N -2 3 273.244 1.842 20 0 CDADHL Cc1ccc([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c(F)c1 ZINC001610509650 1165334749 /nfs/dbraw/zinc/33/47/49/1165334749.db2.gz NMPCYLGZNOYPTG-UHFFFAOYSA-N -2 3 289.328 1.987 20 0 CDADHL Cc1ccc([O-])c(CN(C)[C@H](COC(C)C)C(=O)[O-])n1 ZINC001610510222 1165335621 /nfs/dbraw/zinc/33/56/21/1165335621.db2.gz ZCNATURYCMNEBS-GFCCVEGCSA-N -2 3 282.340 1.406 20 0 CDADHL O=C([O-])[C@H](CF)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC001610658047 1165398498 /nfs/dbraw/zinc/39/84/98/1165398498.db2.gz SHWLXAPOOYATCU-JTQLQIEISA-N -2 3 287.262 1.393 20 0 CDADHL C[C@@]1(C(=O)[O-])CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001590071242 1173242956 /nfs/dbraw/zinc/24/29/56/1173242956.db2.gz JINYEUMCEASINB-CYBMUJFWSA-N -2 3 291.286 1.307 20 0 CDADHL C[C@@]1(C(=O)[O-])CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001590071242 1173242961 /nfs/dbraw/zinc/24/29/61/1173242961.db2.gz JINYEUMCEASINB-CYBMUJFWSA-N -2 3 291.286 1.307 20 0 CDADHL Cc1cc(NC(=O)[N-]OCC(F)F)ncc1C(=O)[O-] ZINC001600272010 1174432563 /nfs/dbraw/zinc/43/25/63/1174432563.db2.gz WVTHEPHPCFRTET-UHFFFAOYSA-N -2 3 275.211 1.406 20 0 CDADHL O=C([O-])Cc1cccc(C(=O)Nc2ncccc2[O-])c1 ZINC001602135276 1175138316 /nfs/dbraw/zinc/13/83/16/1175138316.db2.gz ZWAIXLYNLNOMEL-UHFFFAOYSA-N -2 3 272.260 1.667 20 0 CDADHL O=C([O-])c1ccnc(C(=O)NCc2ccc([O-])c(F)c2)c1 ZINC001602482295 1175254932 /nfs/dbraw/zinc/25/49/32/1175254932.db2.gz UOUWZESROWZJTK-UHFFFAOYSA-N -2 3 290.250 1.555 20 0 CDADHL C[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)C(=O)[O-] ZINC001603563250 1175566601 /nfs/dbraw/zinc/56/66/01/1175566601.db2.gz RLCTUDPFXKQPDE-RXMQYKEDSA-N -2 3 282.691 1.048 20 0 CDADHL C[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)C(=O)[O-] ZINC001603563250 1175566608 /nfs/dbraw/zinc/56/66/08/1175566608.db2.gz RLCTUDPFXKQPDE-RXMQYKEDSA-N -2 3 282.691 1.048 20 0 CDADHL COc1cccc([O-])c1C(=O)N[C@H]1CCC[C@]1(C)C(=O)[O-] ZINC000404597403 1186527279 /nfs/dbraw/zinc/52/72/79/1186527279.db2.gz SGIDTPWHYRNKEF-NHYWBVRUSA-N -2 3 293.319 1.774 20 0 CDADHL Cc1cc(=O)[n-]c(CSCc2cnc(C(=O)[O-])cn2)n1 ZINC001607699823 1164274238 /nfs/dbraw/zinc/27/42/38/1164274238.db2.gz RZXDARNCNCWIHY-UHFFFAOYSA-N -2 3 292.320 1.412 20 0 CDADHL Nc1ccc(C(=O)NC[C@@H](CC2CC2)C(=O)[O-])c([O-])c1 ZINC001608272168 1164475216 /nfs/dbraw/zinc/47/52/16/1164475216.db2.gz RFMAHHPDUVVHEW-SECBINFHSA-N -2 3 278.308 1.205 20 0 CDADHL C[C@@H](C(=O)[O-])N(C)C(=O)c1cc([O-])ccc1Cl ZINC000235477928 735874769 /nfs/dbraw/zinc/87/47/69/735874769.db2.gz BRDDLCLTXABYSY-LURJTMIESA-N -2 3 257.673 1.591 20 0 CDADHL O=C(N=S1(=O)CCCC1)c1ccc([O-])cc1[O-] ZINC000383790294 733898199 /nfs/dbraw/zinc/89/81/99/733898199.db2.gz QWTRJJNKGILQHM-UHFFFAOYSA-N -2 3 255.295 1.500 20 0 CDADHL CC1(C)C[C@]1(C)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000701975033 734420768 /nfs/dbraw/zinc/42/07/68/734420768.db2.gz VUEVTPLMWMZDJH-GFCCVEGCSA-N -2 3 287.337 1.692 20 0 CDADHL C[C@@H](CNC(=O)c1cc([O-])ccc1Cl)CC(=O)[O-] ZINC000235170838 734880467 /nfs/dbraw/zinc/88/04/67/734880467.db2.gz HBVZRTGMUNYWJS-SSDOTTSWSA-N -2 3 271.700 1.886 20 0 CDADHL CC(C)c1nc(NC(=O)c2cnn[n-]2)sc1C(=O)[O-] ZINC001609721826 1165055761 /nfs/dbraw/zinc/05/57/61/1165055761.db2.gz OPDGHNHQBDWYAH-UHFFFAOYSA-N -2 3 281.297 1.335 20 0 CDADHL CC(C)c1nc(NC(=O)c2c[n-]nn2)sc1C(=O)[O-] ZINC001609721826 1165055766 /nfs/dbraw/zinc/05/57/66/1165055766.db2.gz OPDGHNHQBDWYAH-UHFFFAOYSA-N -2 3 281.297 1.335 20 0 CDADHL CC(C)c1nc(NC(=O)c2cn[n-]n2)sc1C(=O)[O-] ZINC001609721826 1165055772 /nfs/dbraw/zinc/05/57/72/1165055772.db2.gz OPDGHNHQBDWYAH-UHFFFAOYSA-N -2 3 281.297 1.335 20 0 CDADHL CCCCC[C@@H]([N-]S(=O)(=O)c1cscn1)C(=O)[O-] ZINC001609966450 1165167366 /nfs/dbraw/zinc/16/73/66/1165167366.db2.gz CCOWSVUWCFLRBM-MRVPVSSYSA-N -2 3 292.382 1.455 20 0 CDADHL O=C([O-])c1ccccc1Nc1cc(=O)[n-]c(=S)[nH]1 ZINC001210968619 895513066 /nfs/dbraw/zinc/51/30/66/895513066.db2.gz CCFDSYPSHKADGM-UHFFFAOYSA-N -2 3 263.278 1.913 20 0 CDADHL CCOC(=O)[C@H](OCCP(=O)([O-])[O-])c1ccccc1 ZINC001224607969 909939108 /nfs/dbraw/zinc/93/91/08/909939108.db2.gz XJJIUOVWLXXINO-LLVKDONJSA-N -2 3 288.236 1.485 20 0 CDADHL Cc1ccnc(CC(=O)NCCCCP(=O)([O-])[O-])c1 ZINC001178274577 915322935 /nfs/dbraw/zinc/32/29/35/915322935.db2.gz QDCFLGOCXGMVGH-UHFFFAOYSA-N -2 3 286.268 1.007 20 0 CDADHL CCOCCS(=O)(=O)[N-]c1cc([O-])c(F)cc1F ZINC001187283666 920451019 /nfs/dbraw/zinc/45/10/19/920451019.db2.gz NUDVJGQUJJWRSD-UHFFFAOYSA-N -2 3 281.280 1.449 20 0 CDADHL O=C([N-]c1noc2nccnc12)c1cc([O-])cc(F)c1F ZINC001192652337 923174453 /nfs/dbraw/zinc/17/44/53/923174453.db2.gz YYHGRHURIANMMN-UHFFFAOYSA-N -2 3 292.201 1.854 20 0 CDADHL Cc1ccc([O-])c([N-]S(=O)(=O)Cc2ccccn2)n1 ZINC001197783324 925217670 /nfs/dbraw/zinc/21/76/70/925217670.db2.gz UAHXWYLERMMCBL-UHFFFAOYSA-N -2 3 279.321 1.433 20 0 CDADHL O=C([O-])c1cc(Nc2cnc[n-]c2=O)cnc1F ZINC001215105350 940857821 /nfs/dbraw/zinc/85/78/21/940857821.db2.gz YFQSUUDSANPTKU-UHFFFAOYSA-N -2 3 250.189 1.158 20 0 CDADHL O=c1nc2c(=O)[n-]c(=O)[nH]c2c(O[C@@H]2CCCC[C@H]2F)[n-]1 ZINC001226886833 942088370 /nfs/dbraw/zinc/08/83/70/942088370.db2.gz ULCLZAPRAIZMOE-PHDIDXHHSA-N -2 3 296.258 1.196 20 0 CDADHL COC(=O)c1ccc([N-]S(=O)(=O)C2CCCC2)c([O-])c1 ZINC001259800319 945639922 /nfs/dbraw/zinc/63/99/22/945639922.db2.gz AXLXDFJUKYAOGW-UHFFFAOYSA-N -2 3 299.348 1.863 20 0 CDADHL NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1[O-] ZINC001251151906 950627125 /nfs/dbraw/zinc/62/71/25/950627125.db2.gz NZQUEYSYAJSMOR-UHFFFAOYSA-N -2 3 292.316 1.292 20 0 CDADHL CCC(CC)(NC(=O)c1ccc(F)c([O-])c1)c1nnn[n-]1 ZINC001363133543 971915545 /nfs/dbraw/zinc/91/55/45/971915545.db2.gz AFTLHRCIUUULGT-UHFFFAOYSA-N -2 3 293.302 1.490 20 0 CDADHL CCC(CC)(NC(=O)c1ccc(F)c([O-])c1)c1nn[n-]n1 ZINC001363133543 971915551 /nfs/dbraw/zinc/91/55/51/971915551.db2.gz AFTLHRCIUUULGT-UHFFFAOYSA-N -2 3 293.302 1.490 20 0 CDADHL CC[C@H](CNC(=O)c1c([O-])cccc1OC)C(=O)[O-] ZINC000404604082 953379853 /nfs/dbraw/zinc/37/98/53/953379853.db2.gz AWJPSZQDCRVIBL-MRVPVSSYSA-N -2 3 267.281 1.241 20 0 CDADHL C[C@@H](C[N-]S(=O)(=O)c1scnc1C(=O)[O-])C1CC1 ZINC000124820845 958546640 /nfs/dbraw/zinc/54/66/40/958546640.db2.gz KYFFJAKVOOQBMD-LURJTMIESA-N -2 3 290.366 1.166 20 0 CDADHL O=C([O-])c1cnn(CC(=O)Nc2cccc([O-])c2F)c1 ZINC001571008630 963263208 /nfs/dbraw/zinc/26/32/08/963263208.db2.gz IKZUXGXCFBLQTO-UHFFFAOYSA-N -2 3 279.227 1.065 20 0 CDADHL CCC(C)(C)CC[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000686205198 976102766 /nfs/dbraw/zinc/10/27/66/976102766.db2.gz TWMIKCDHKYPCIU-UHFFFAOYSA-N -2 3 289.357 1.213 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]Cc2ccc(F)cc2)c1 ZINC000694230933 976686624 /nfs/dbraw/zinc/68/66/24/976686624.db2.gz KQZOSQRCQSIJOH-UHFFFAOYSA-N -2 3 299.279 1.595 20 0 CDADHL Cc1nc(N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)cc(=O)[n-]1 ZINC000715820237 977789175 /nfs/dbraw/zinc/78/91/75/977789175.db2.gz AOMNDVXYCCPUKK-QMTHXVAHSA-N -2 3 277.324 1.572 20 0 CDADHL CCCN(C(=O)c1cc(=O)[n-]c(C2CC2)n1)[C@@H](C)C(=O)[O-] ZINC001573749731 983098380 /nfs/dbraw/zinc/09/83/80/983098380.db2.gz SBIDNRGKJGHGOS-QMMMGPOBSA-N -2 3 293.323 1.385 20 0 CDADHL COc1ccc(C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)c([O-])c1 ZINC001599480817 996774875 /nfs/dbraw/zinc/77/48/75/996774875.db2.gz BMTLLNALHSWIRN-VFZGTOFNSA-N -2 3 293.319 1.584 20 0 CDADHL Cc1ccc([C@@H]2C[C@H]2C(=O)N=c2ccc([O-])n[n-]2)cc1C ZINC000622847287 342261238 /nfs/dbraw/zinc/26/12/38/342261238.db2.gz PBURWXJCRRHBOH-QWHCGFSZSA-N -2 3 283.331 1.963 20 0 CDADHL Cc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])c1 ZINC000085321357 179014874 /nfs/dbraw/zinc/01/48/74/179014874.db2.gz JUXCFWGIFNHIHL-GXSJLCMTSA-N -2 3 263.293 1.684 20 0 CDADHL Cc1csc(S(=O)(=O)[N-][C@H]2C=C[C@@H](C(=O)[O-])C2)c1 ZINC000571616882 362704703 /nfs/dbraw/zinc/70/47/03/362704703.db2.gz IGYUCMQIBITCLL-BDAKNGLRSA-N -2 3 287.362 1.364 20 0 CDADHL CCC[C@@](C)(NC(=O)c1cc(OC)ccc1[O-])C(=O)[O-] ZINC000036338195 356241856 /nfs/dbraw/zinc/24/18/56/356241856.db2.gz QMVBASAUYZDTNR-CQSZACIVSA-N -2 3 281.308 1.774 20 0 CDADHL Cc1cccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1[O-] ZINC000019423485 356485042 /nfs/dbraw/zinc/48/50/42/356485042.db2.gz SCYIFSIUXXFECH-SNVBAGLBSA-N -2 3 263.293 1.637 20 0 CDADHL Cc1nc(C)c(CCC(=O)Nc2ncccc2[O-])c(=O)[n-]1 ZINC000073050307 357864235 /nfs/dbraw/zinc/86/42/35/357864235.db2.gz CJMGXMQFKRLNAA-UHFFFAOYSA-N -2 3 288.307 1.059 20 0 CDADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2F)c1 ZINC000414333056 241157153 /nfs/dbraw/zinc/15/71/53/241157153.db2.gz VVKZTJRZDUVRGA-JGVFFNPUSA-N -2 3 293.341 1.615 20 0 CDADHL CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000566913385 370839520 /nfs/dbraw/zinc/83/95/20/370839520.db2.gz VEBMKRFYWYGXQQ-RNFRBKRXSA-N -2 3 292.382 1.554 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CC=CCC2)c1 ZINC000567797674 371149909 /nfs/dbraw/zinc/14/99/09/371149909.db2.gz XBVHPYZLAWRDIK-SECBINFHSA-N -2 3 271.294 1.365 20 0 CDADHL CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1ccc(C)o1)C(=O)[O-] ZINC000573365609 371518986 /nfs/dbraw/zinc/51/89/86/371518986.db2.gz ZXRMVAZMIDKJMO-SCZZXKLOSA-N -2 3 289.353 1.756 20 0 CDADHL CC[C@H](C)CO[N-]C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000298555099 372177762 /nfs/dbraw/zinc/17/77/62/372177762.db2.gz ZASIHWJWECJTQT-WNTQAOTGSA-N -2 3 277.328 1.441 20 0 CDADHL CSc1nc([N-]S(=O)(=O)CCC2CCCC2)n[n-]1 ZINC000581410649 372994849 /nfs/dbraw/zinc/99/48/49/372994849.db2.gz TZUMESVJFNFSPZ-UHFFFAOYSA-N -2 3 290.414 1.849 20 0 CDADHL O=S(=O)([N-]C1(C(F)F)CC1)c1cc([O-])cc(F)c1 ZINC000632310433 377276210 /nfs/dbraw/zinc/27/62/10/377276210.db2.gz UVCJMFSJNQYRRM-UHFFFAOYSA-N -2 3 281.255 1.607 20 0 CDADHL CC[C@@H](C)C[C@H](NC(=O)c1ccc2n[n-]nc2c1)C(=O)[O-] ZINC000400408617 391992046 /nfs/dbraw/zinc/99/20/46/391992046.db2.gz VFTPYMDXAMPXSD-PELKAZGASA-N -2 3 290.323 1.577 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@H]2CC=CCC2)c1 ZINC000574396846 392585742 /nfs/dbraw/zinc/58/57/42/392585742.db2.gz KAZLMRYPCRMXQF-VIFPVBQESA-N -2 3 285.321 1.612 20 0 CDADHL Cc1nn(C)cc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000349113134 154054469 /nfs/dbraw/zinc/05/44/69/154054469.db2.gz QFEMWMZWPXUOOZ-PLNGDYQASA-N -2 3 288.307 1.330 20 0 CDADHL Cc1ccc(C(=O)N2CC3CC2(C(=O)[O-])C3)c([O-])c1 ZINC000659179706 413591098 /nfs/dbraw/zinc/59/10/98/413591098.db2.gz WXTFISXWUSUDCM-UHFFFAOYSA-N -2 3 261.277 1.390 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000656722536 413609309 /nfs/dbraw/zinc/60/93/09/413609309.db2.gz DVGKGEXYHSPXKW-YWVKMMECSA-N -2 3 299.348 1.692 20 0 CDADHL CCN(CCC(=O)[O-])C(=O)c1ccc(O)cc1[O-] ZINC000038023001 174004282 /nfs/dbraw/zinc/00/42/82/174004282.db2.gz UMFMVKQAGLIATI-UHFFFAOYSA-N -2 3 253.254 1.035 20 0 CDADHL O=C([O-])[C@H](NC(=O)c1ccc(O)cc1[O-])C1CCCCC1 ZINC000038036031 174034443 /nfs/dbraw/zinc/03/44/43/174034443.db2.gz IPHMFZISBRDBRA-CYBMUJFWSA-N -2 3 293.319 1.861 20 0 CDADHL CC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000040493874 174293191 /nfs/dbraw/zinc/29/31/91/174293191.db2.gz HTYXFVNYFUIPNV-UHFFFAOYSA-N -2 3 289.328 1.848 20 0 CDADHL CC(C)=CC[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000229011890 262344029 /nfs/dbraw/zinc/34/40/29/262344029.db2.gz WTESFNLCUOVPFH-UHFFFAOYSA-N -2 3 276.339 1.086 20 0 CDADHL Cc1nc2ccc(C(=O)N=c3ccc([O-])n[n-]3)cc2n1C ZINC000361881325 279124104 /nfs/dbraw/zinc/12/41/04/279124104.db2.gz SURIHRYYUBQUIL-UHFFFAOYSA-N -2 3 283.291 1.052 20 0 CDADHL CC(C)C1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000232705543 280122280 /nfs/dbraw/zinc/12/22/80/280122280.db2.gz YJUGRTSUKQORIQ-UHFFFAOYSA-N -2 3 287.337 1.692 20 0 CDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccoc1)c1ccccc1F ZINC000551909853 290024794 /nfs/dbraw/zinc/02/47/94/290024794.db2.gz HINOZWVNPVFFTM-NSHDSACASA-N -2 3 299.279 1.523 20 0 CDADHL CC(C)CC[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000575398500 316993204 /nfs/dbraw/zinc/99/32/04/316993204.db2.gz QGNQIRVVFRDQNH-UHFFFAOYSA-N -2 3 278.355 1.166 20 0 CDADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2ccco2)CCC1 ZINC000577571784 317355417 /nfs/dbraw/zinc/35/54/17/317355417.db2.gz KMHQZBBCCQXENR-UHFFFAOYSA-N -2 3 273.310 1.203 20 0 CDADHL O=C([O-])c1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc1 ZINC000670370021 482844988 /nfs/dbraw/zinc/84/49/88/482844988.db2.gz RHLBVRCHZUESHQ-UTCJRWHESA-N -3 3 286.243 1.749 20 0 CDADHL CCC[C@@H](C)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134666358 483262803 /nfs/dbraw/zinc/26/28/03/483262803.db2.gz ZINJVMCWLYHIEQ-ZCFIWIBFSA-N -2 3 278.355 1.308 20 0 CDADHL CCc1oncc1[N-]S(=O)(=O)c1cc(OC)ccc1[O-] ZINC000337872316 523064759 /nfs/dbraw/zinc/06/47/59/523064759.db2.gz RXPXWZTUCMBFMK-UHFFFAOYSA-N -2 3 298.320 1.752 20 0 CDADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])c1 ZINC000261672416 536544534 /nfs/dbraw/zinc/54/45/34/536544534.db2.gz KPNLWYOMMGDAFL-LURJTMIESA-N -2 3 293.728 1.100 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)o1 ZINC001600483023 1174488064 /nfs/dbraw/zinc/48/80/64/1174488064.db2.gz VYELDAHHDYPEQN-PTRXPTGYSA-N -2 3 285.321 1.120 20 0 CDADHL Cc1[nH]nc(S(=O)(=O)[N-][C@]2(C)CC=CCC2)c1C(=O)[O-] ZINC001600673140 1174558917 /nfs/dbraw/zinc/55/89/17/1174558917.db2.gz ONUAZTGLYUPCAW-GFCCVEGCSA-N -2 3 299.352 1.193 20 0 CDADHL C[C@H](CN(C(=O)c1ccc(O)cc1[O-])C1CC1)C(=O)[O-] ZINC000736566724 575691525 /nfs/dbraw/zinc/69/15/25/575691525.db2.gz XGUZMZYSVMPOIK-MRVPVSSYSA-N -2 3 279.292 1.423 20 0 CDADHL Cc1cccc(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)c1[O-] ZINC000738682266 576102292 /nfs/dbraw/zinc/10/22/92/576102292.db2.gz RKCJNYNDONWZBL-JTQLQIEISA-N -2 3 278.308 1.573 20 0 CDADHL CCc1cc(=O)[n-]c(SCc2nc(C)cc(=O)[n-]2)n1 ZINC000767063058 576156953 /nfs/dbraw/zinc/15/69/53/576156953.db2.gz MGYSBPSMZUDWKJ-UHFFFAOYSA-N -2 3 278.337 1.841 20 0 CDADHL O=C([O-])CCc1nnc([N-]C(=O)c2ccc(F)nc2)s1 ZINC000739776731 576292640 /nfs/dbraw/zinc/29/26/40/576292640.db2.gz JTKBEKORYWNXOG-UHFFFAOYSA-N -2 3 296.283 1.342 20 0 CDADHL O=C([O-])c1ccc(CNC(=O)c2ccc(O)cc2[O-])cc1 ZINC000019265442 597262533 /nfs/dbraw/zinc/26/25/33/597262533.db2.gz HNTBCVBCDWCGND-UHFFFAOYSA-N -2 3 287.271 1.726 20 0 CDADHL O=C([N-]C1(c2cccc(-c3nn[n-]n3)c2)CC1)C(F)(F)F ZINC000826427603 607426288 /nfs/dbraw/zinc/42/62/88/607426288.db2.gz VHAFNJLGKRAHAD-UHFFFAOYSA-N -2 3 297.240 1.534 20 0 CDADHL O=C([O-])CCCNC(=O)NCc1ccc([O-])c(F)c1 ZINC000263249321 600486005 /nfs/dbraw/zinc/48/60/05/600486005.db2.gz OTKXDCIUTWAFQK-UHFFFAOYSA-N -2 3 270.260 1.195 20 0 CDADHL Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])[C@H](C)C2)c([O-])c1 ZINC000111251450 601711335 /nfs/dbraw/zinc/71/13/35/601711335.db2.gz KCGMWFDYXAEVJR-KOLCDFICSA-N -2 3 263.293 1.493 20 0 CDADHL Cc1nonc1C(=O)[N-]c1nc(CCCC(=O)[O-])cs1 ZINC000833023563 601744148 /nfs/dbraw/zinc/74/41/48/601744148.db2.gz FQLSQWQTOPAEJT-UHFFFAOYSA-N -2 3 296.308 1.494 20 0 CDADHL CCc1ccc([O-])c(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000263170881 601800825 /nfs/dbraw/zinc/80/08/25/601800825.db2.gz JIBIRNFKZAKVMQ-BXKDBHETSA-N -2 3 277.320 1.747 20 0 CDADHL COCCN(CCC(=O)[O-])Cc1cccc([O-])c1Cl ZINC000904270322 626236204 /nfs/dbraw/zinc/23/62/04/626236204.db2.gz ZOFKFKBAYUGZOV-UHFFFAOYSA-N -2 3 287.743 1.969 20 0 CDADHL CC(C)[C@@H](C(=O)[O-])C(=O)NCc1ccc([O-])c(F)c1 ZINC000909923415 628776843 /nfs/dbraw/zinc/77/68/43/628776843.db2.gz QJXRSXKMCROKSJ-LLVKDONJSA-N -2 3 269.272 1.504 20 0 CDADHL Cc1c(Cl)cnc(NCCCC(=O)[O-])c1-c1nnn[n-]1 ZINC001605491485 1163585611 /nfs/dbraw/zinc/58/56/11/1163585611.db2.gz DBRDDFXRZYFEPN-UHFFFAOYSA-N -2 3 296.718 1.500 20 0 CDADHL Cc1c(Cl)cnc(NCCCC(=O)[O-])c1-c1nn[n-]n1 ZINC001605491485 1163585615 /nfs/dbraw/zinc/58/56/15/1163585615.db2.gz DBRDDFXRZYFEPN-UHFFFAOYSA-N -2 3 296.718 1.500 20 0 CDADHL O=C(/C=C/c1cc(C(=O)[O-])co1)[N-]OCc1ccccn1 ZINC001608283010 1164479616 /nfs/dbraw/zinc/47/96/16/1164479616.db2.gz ANKMPVHBLPEZQN-SNAWJCMRSA-N -2 3 288.259 1.634 20 0 CDADHL O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)c2c[n-]nn2)cc1 ZINC001608512930 1164529927 /nfs/dbraw/zinc/52/99/27/1164529927.db2.gz NXUVGJDMTAOBAD-VHSXEESVSA-N -2 3 272.264 1.245 20 0 CDADHL O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)c2cn[n-]n2)cc1 ZINC001608512930 1164529931 /nfs/dbraw/zinc/52/99/31/1164529931.db2.gz NXUVGJDMTAOBAD-VHSXEESVSA-N -2 3 272.264 1.245 20 0 CDADHL O=C([O-])Cc1ccccc1NC(=O)c1cccc2n[n-]nc21 ZINC001608790800 1164638866 /nfs/dbraw/zinc/63/88/66/1164638866.db2.gz RRHNWZJMBIFERQ-UHFFFAOYSA-N -2 3 296.286 1.837 20 0 CDADHL O=C([O-])c1cc(C2CN(Cc3ccc([O-])c(F)c3)C2)[nH]n1 ZINC001608840677 1164658105 /nfs/dbraw/zinc/65/81/05/1164658105.db2.gz DJZGPCCQTVTKIK-UHFFFAOYSA-N -2 3 291.282 1.552 20 0 CDADHL Cc1cc(Cl)cc([N-]S(=O)(=O)CCC(=O)[O-])c1[O-] ZINC001610462209 1165323034 /nfs/dbraw/zinc/32/30/34/1165323034.db2.gz FTHZTAILURVXLF-UHFFFAOYSA-N -3 3 293.728 1.570 20 0 CDADHL CC[C@H]1CN(Cc2nc(C)cc(=O)[n-]2)C[C@]1(F)C(=O)[O-] ZINC001573825547 1170791686 /nfs/dbraw/zinc/79/16/86/1170791686.db2.gz AEAAHXYYHCWECP-TVQRCGJNSA-N -2 3 283.303 1.125 20 0 CDADHL C[C@@H](C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1)C(C)(F)F ZINC001589002912 1173118756 /nfs/dbraw/zinc/11/87/56/1173118756.db2.gz HZOVVMIZHJNEAI-ZETCQYMHSA-N -2 3 297.265 1.568 20 0 CDADHL C[C@@H](C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1)C(C)(F)F ZINC001589002912 1173118760 /nfs/dbraw/zinc/11/87/60/1173118760.db2.gz HZOVVMIZHJNEAI-ZETCQYMHSA-N -2 3 297.265 1.568 20 0 CDADHL C[C@]1(C(=O)[O-])CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001590071243 1173243802 /nfs/dbraw/zinc/24/38/02/1173243802.db2.gz JINYEUMCEASINB-ZDUSSCGKSA-N -2 3 291.286 1.307 20 0 CDADHL C[C@]1(C(=O)[O-])CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001590071243 1173243808 /nfs/dbraw/zinc/24/38/08/1173243808.db2.gz JINYEUMCEASINB-ZDUSSCGKSA-N -2 3 291.286 1.307 20 0 CDADHL O=C([O-])CCCNc1cccc(F)c1-c1nnn[n-]1 ZINC001593277996 1174046229 /nfs/dbraw/zinc/04/62/29/1174046229.db2.gz MGZNHKDLLPZHTD-UHFFFAOYSA-N -2 3 265.248 1.283 20 0 CDADHL O=C([O-])CCCNc1cccc(F)c1-c1nn[n-]n1 ZINC001593277996 1174046237 /nfs/dbraw/zinc/04/62/37/1174046237.db2.gz MGZNHKDLLPZHTD-UHFFFAOYSA-N -2 3 265.248 1.283 20 0 CDADHL O=C([O-])c1ccn(CC(=O)Nc2cc(Cl)ccc2[O-])n1 ZINC001601385098 1174852744 /nfs/dbraw/zinc/85/27/44/1174852744.db2.gz LQOPTJZHHOKSPU-UHFFFAOYSA-N -2 3 295.682 1.579 20 0 CDADHL CC(C)(C(=O)[O-])n1ccc(NC(=O)[N-]OCC(F)F)n1 ZINC001603289026 1175532241 /nfs/dbraw/zinc/53/22/41/1175532241.db2.gz BUIXOZRZFWEXMI-UHFFFAOYSA-N -2 3 292.242 1.021 20 0 CDADHL CC(C)(C)CC(=O)[N-]OCc1cccc(C(=O)[O-])n1 ZINC001603323406 1175540448 /nfs/dbraw/zinc/54/04/48/1175540448.db2.gz XCCVOZOJFQOGMJ-UHFFFAOYSA-N -2 3 266.297 1.764 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]Cc2cc(C)c(C(=O)[O-])o2)o1 ZINC001607821453 1164306579 /nfs/dbraw/zinc/30/65/79/1164306579.db2.gz UROCQTGHZGCLNE-UHFFFAOYSA-N -2 3 299.304 1.666 20 0 CDADHL O=C(NCc1ccc([O-])c(F)c1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000874392767 737311124 /nfs/dbraw/zinc/31/11/24/737311124.db2.gz AXYIXRFLAAQVSH-DTORHVGOSA-N -2 3 282.271 1.194 20 0 CDADHL O=C([N-]OCC1CCC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000856351328 737833089 /nfs/dbraw/zinc/83/30/89/737833089.db2.gz DMTDRUZMZWBNGF-UHFFFAOYSA-N -2 3 263.297 1.521 20 0 CDADHL N#Cc1cccc(S(=O)(=O)[N-][N-]C(=O)C2CCCC2)c1 ZINC000029048836 737904705 /nfs/dbraw/zinc/90/47/05/737904705.db2.gz BMISHZMLFISLBI-UHFFFAOYSA-N -2 3 293.348 1.058 20 0 CDADHL CC[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000087500112 738095494 /nfs/dbraw/zinc/09/54/94/738095494.db2.gz LMOVCZMAJRAGBW-ZETCQYMHSA-N -2 3 293.291 1.354 20 0 CDADHL C[C@@H](F)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000702604796 737889193 /nfs/dbraw/zinc/88/91/93/737889193.db2.gz YIYVSNDWRQWMJL-SSDOTTSWSA-N -2 3 293.291 1.550 20 0 CDADHL CCc1ccc(C(=O)N(C)CCCC(=O)[O-])c([O-])c1 ZINC001610060150 1165199567 /nfs/dbraw/zinc/19/95/67/1165199567.db2.gz CRVZAZLHWWUSOR-UHFFFAOYSA-N -2 3 265.309 1.891 20 0 CDADHL Cc1cc([O-])c(Cl)cc1OC(=O)[C@H](O)CC(=O)[O-] ZINC001233590830 912899275 /nfs/dbraw/zinc/89/92/75/912899275.db2.gz ARJUESQKNPKPAO-MRVPVSSYSA-N -2 3 274.656 1.095 20 0 CDADHL O=Nc1c(=O)[n-]c(=O)[nH]c1Nc1ccc(C(=O)[O-])s1 ZINC001174806608 913358166 /nfs/dbraw/zinc/35/81/66/913358166.db2.gz FCGTUNIEPWKTAF-UHFFFAOYSA-N -2 3 282.237 1.789 20 0 CDADHL CCOC(=O)c1nonc1[N-]c1ccccc1C(=O)[O-] ZINC001210970469 895513092 /nfs/dbraw/zinc/51/30/92/895513092.db2.gz ZEQOMLNWWRAVBY-UHFFFAOYSA-N -2 3 277.236 1.688 20 0 CDADHL O=C([O-])C(F)(F)C(F)(F)C(=O)[N-]C[C@H]1CCCCO1 ZINC001180176222 916171059 /nfs/dbraw/zinc/17/10/59/916171059.db2.gz RLTFTZIUQVSZCA-ZCFIWIBFSA-N -2 3 287.209 1.027 20 0 CDADHL C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000131000066 917393685 /nfs/dbraw/zinc/39/36/85/917393685.db2.gz HELVXIGJQXVESR-YUMQZZPRSA-N -2 3 273.310 1.445 20 0 CDADHL Cc1ccc(F)c(NC(=O)NCCP(=O)([O-])[O-])c1 ZINC001185269100 919509507 /nfs/dbraw/zinc/50/95/07/919509507.db2.gz FRVVHJMDZSNPPE-UHFFFAOYSA-N -2 3 276.204 1.433 20 0 CDADHL O=C(NCCP(=O)([O-])[O-])Nc1ccc2c(c1)CCC2 ZINC001185776770 919747702 /nfs/dbraw/zinc/74/77/02/919747702.db2.gz VXNGXRLYSHIRGH-UHFFFAOYSA-N -2 3 284.252 1.475 20 0 CDADHL O=C(NCc1ncccc1[O-])c1c([O-])ccc(F)c1F ZINC001192785065 923246576 /nfs/dbraw/zinc/24/65/76/923246576.db2.gz CBMMZSPBPHTIPW-UHFFFAOYSA-N -2 3 280.230 1.701 20 0 CDADHL CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1ccccc1[O-] ZINC001193057931 923438095 /nfs/dbraw/zinc/43/80/95/923438095.db2.gz NGRUXKSCEZDKJZ-UHFFFAOYSA-N -2 3 287.337 1.476 20 0 CDADHL Cc1ccc(C(=O)N[C@H](CC(=O)[O-])C(F)(F)F)c([O-])c1 ZINC000829362950 926262139 /nfs/dbraw/zinc/26/21/39/926262139.db2.gz REQFPAOKNQLCCR-SECBINFHSA-N -2 3 291.225 1.836 20 0 CDADHL O=C([O-])Cc1ccc(F)c(Nc2cnc[n-]c2=O)c1 ZINC001216679730 940958564 /nfs/dbraw/zinc/95/85/64/940958564.db2.gz YNDBXJISOVYNFL-UHFFFAOYSA-N -2 3 263.228 1.692 20 0 CDADHL O=P([O-])([O-])CCCCOC1CN(Cc2ccccc2)C1 ZINC001225021432 941815129 /nfs/dbraw/zinc/81/51/29/941815129.db2.gz HHVCYRIAPBDAET-UHFFFAOYSA-N -2 3 299.307 1.845 20 0 CDADHL CCOC(=O)[C@H](Oc1nc2ncnc-2c([S-])[n-]1)C1CC1 ZINC001226782094 942070571 /nfs/dbraw/zinc/07/05/71/942070571.db2.gz OXWPHPDKMBJTSA-MRVPVSSYSA-N -2 3 294.336 1.362 20 0 CDADHL COc1ccc2c(c1)CC[C@H](Oc1nc(=O)[n-]c(=O)[n-]1)C2 ZINC001227571831 942190726 /nfs/dbraw/zinc/19/07/26/942190726.db2.gz YYGNAFXFGODRML-NSHDSACASA-N -2 3 289.291 1.228 20 0 CDADHL Cc1ccccc1OC[C@H](C)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227569385 942191315 /nfs/dbraw/zinc/19/13/15/942191315.db2.gz AQVRRHAGVUAQSP-VIFPVBQESA-N -2 3 277.280 1.438 20 0 CDADHL [CH2]CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259224976 945509156 /nfs/dbraw/zinc/50/91/56/945509156.db2.gz VWNMZDVQPSFWOP-UHFFFAOYSA-N -3 3 294.711 1.680 20 0 CDADHL COC(=O)c1cccc([O-])c1[N-]S(=O)(=O)C1CC1 ZINC001259275668 945529588 /nfs/dbraw/zinc/52/95/88/945529588.db2.gz OGGASRAKVAGZLH-UHFFFAOYSA-N -2 3 271.294 1.083 20 0 CDADHL COc1ccc(S(=O)(=O)[N-]c2cncc([O-])c2)cc1C ZINC001260632972 945843774 /nfs/dbraw/zinc/84/37/74/945843774.db2.gz BQOZDSGJGQWEIA-UHFFFAOYSA-N -2 3 294.332 1.905 20 0 CDADHL Cc1cc(-c2ccc(-c3nnn[n-]3)cc2)cnc1C(=O)[O-] ZINC001241444460 946292540 /nfs/dbraw/zinc/29/25/40/946292540.db2.gz DHHFIKGYQJJOSP-UHFFFAOYSA-N -2 3 281.275 1.935 20 0 CDADHL Cc1cc(-c2ccc(-c3nn[n-]n3)cc2)cnc1C(=O)[O-] ZINC001241444460 946292544 /nfs/dbraw/zinc/29/25/44/946292544.db2.gz DHHFIKGYQJJOSP-UHFFFAOYSA-N -2 3 281.275 1.935 20 0 CDADHL O=C1[N-]S(=O)(=O)c2ccc(-c3cccc([O-])c3F)cc21 ZINC001243545106 947141371 /nfs/dbraw/zinc/14/13/71/947141371.db2.gz RRAKRCVXWPGALV-UHFFFAOYSA-N -2 3 293.275 1.630 20 0 CDADHL O=C([O-])c1cc(-c2ccc(-c3nnn[n-]3)cc2)cnc1F ZINC001244755508 947455745 /nfs/dbraw/zinc/45/57/45/947455745.db2.gz XSEDEWFHEZYCQN-UHFFFAOYSA-N -2 3 285.238 1.766 20 0 CDADHL O=C([O-])c1cc(-c2ccc(-c3nn[n-]n3)cc2)cnc1F ZINC001244755508 947455749 /nfs/dbraw/zinc/45/57/49/947455749.db2.gz XSEDEWFHEZYCQN-UHFFFAOYSA-N -2 3 285.238 1.766 20 0 CDADHL COc1ccc(-c2cc(=O)n(-c3cc(=O)[n-]cn3)[n-]2)cc1 ZINC001245920867 947845941 /nfs/dbraw/zinc/84/59/41/947845941.db2.gz WUEQKBIISHJWRA-UHFFFAOYSA-N -2 3 284.275 1.749 20 0 CDADHL CC(C)C[C@H](CNC(=O)c1cccc(O)c1[O-])CC(=O)[O-] ZINC000126046830 949262194 /nfs/dbraw/zinc/26/21/94/949262194.db2.gz BWBRUAYMGQGRIT-JTQLQIEISA-N -2 3 295.335 1.965 20 0 CDADHL O=C([O-])c1c[nH]nc1NC(=O)c1nnc2ccccc2c1[O-] ZINC001595204933 952321679 /nfs/dbraw/zinc/32/16/79/952321679.db2.gz DKVKCFPUOXUZNC-UHFFFAOYSA-N -2 3 299.246 1.009 20 0 CDADHL CC[C@H](CNC(=O)NCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC001589538826 955185946 /nfs/dbraw/zinc/18/59/46/955185946.db2.gz OJVWLIXEKZYHOZ-SECBINFHSA-N -2 3 284.287 1.441 20 0 CDADHL C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000230401291 960148862 /nfs/dbraw/zinc/14/88/62/960148862.db2.gz UGSNMMLTBKSUOW-IUCAKERBSA-N -2 3 287.337 1.692 20 0 CDADHL O=C([O-])CC1(C(=O)Nc2n[n-]c(-c3ccco3)n2)CCC1 ZINC001574675169 962556680 /nfs/dbraw/zinc/55/66/80/962556680.db2.gz FOWLGAWGYPUYKJ-UHFFFAOYSA-N -2 3 290.279 1.648 20 0 CDADHL CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NCc1ncccc1[O-] ZINC001603311578 972605895 /nfs/dbraw/zinc/60/58/95/972605895.db2.gz BBOGOUDLRYABSN-UHFFFAOYSA-N -2 3 292.335 1.540 20 0 CDADHL CCCCOc1ccc(C(=O)N(C)CC(=O)[O-])c([O-])c1 ZINC001603648885 974011802 /nfs/dbraw/zinc/01/18/02/974011802.db2.gz RIVMGLNKCWKDHA-UHFFFAOYSA-N -2 3 281.308 1.728 20 0 CDADHL CC(C)c1ccc(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)c([O-])c1 ZINC001591942737 976472929 /nfs/dbraw/zinc/47/29/29/976472929.db2.gz HRNBKMGPXZHPKW-PELKAZGASA-N -2 3 281.308 1.079 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CC2)c1 ZINC000716511767 977847951 /nfs/dbraw/zinc/84/79/51/977847951.db2.gz WWDVKHFFOVTTAJ-DTWKUNHWSA-N -2 3 271.294 1.055 20 0 CDADHL Cc1cccc(C(=O)Nc2cc(C(=O)[O-])nn2C)c1[O-] ZINC000724768977 978241206 /nfs/dbraw/zinc/24/12/06/978241206.db2.gz LFMUJZAHAMOPFV-UHFFFAOYSA-N -2 3 275.264 1.385 20 0 CDADHL CC(=O)Nc1ccccc1CC(=O)[N-]OCCCC(=O)[O-] ZINC001589219999 985732445 /nfs/dbraw/zinc/73/24/45/985732445.db2.gz ZNNGBUTXYFDJTK-UHFFFAOYSA-N -2 3 294.307 1.100 20 0 CDADHL COc1cccc2c(C(=O)O[C@H](C)C(=O)[O-])n[n-]c21 ZINC001599689528 991045427 /nfs/dbraw/zinc/04/54/27/991045427.db2.gz OMPNSROCBDDXNL-ZCFIWIBFSA-N -2 3 264.237 1.201 20 0 CDADHL C[C@H](OC(=O)c1cnn[n-]1)c1ccc(C(=O)[O-])o1 ZINC001593554667 995637538 /nfs/dbraw/zinc/63/75/38/995637538.db2.gz VYXXHJNQLYHPKX-YFKPBYRVSA-N -2 3 251.198 1.014 20 0 CDADHL C[C@H](OC(=O)c1c[n-]nn1)c1ccc(C(=O)[O-])o1 ZINC001593554667 995637542 /nfs/dbraw/zinc/63/75/42/995637542.db2.gz VYXXHJNQLYHPKX-YFKPBYRVSA-N -2 3 251.198 1.014 20 0 CDADHL CCOC(=O)c1cc(NC(=O)c2c([O-])cccc2F)n[n-]1 ZINC000118983485 342051789 /nfs/dbraw/zinc/05/17/89/342051789.db2.gz SGZUOVWREFCPAM-UHFFFAOYSA-N -2 3 293.254 1.683 20 0 CDADHL CCOC(=O)c1cc(NC(=O)c2c([O-])cccc2F)[n-]n1 ZINC000118983485 342051790 /nfs/dbraw/zinc/05/17/90/342051790.db2.gz SGZUOVWREFCPAM-UHFFFAOYSA-N -2 3 293.254 1.683 20 0 CDADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H]1CC=CCC1 ZINC000134719673 342071268 /nfs/dbraw/zinc/07/12/68/342071268.db2.gz RJFGZMWRJXICEK-SSDOTTSWSA-N -2 3 288.350 1.228 20 0 CDADHL CSCC1(CC(=O)N=c2ccc([O-])n[n-]2)CC1 ZINC000593138074 342773228 /nfs/dbraw/zinc/77/32/28/342773228.db2.gz QNYMLRPQQWMRTM-UHFFFAOYSA-N -2 3 253.327 1.076 20 0 CDADHL Cc1nnc(-n2[n-]c3c(c2=O)C[C@@H](C)CC3)[n-]c1=O ZINC000634586117 356465878 /nfs/dbraw/zinc/46/58/78/356465878.db2.gz CAYPTXZPGKKUMY-XPUUQOCRSA-N -2 3 261.285 1.024 20 0 CDADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000087492418 358344551 /nfs/dbraw/zinc/34/45/51/358344551.db2.gz QUXSSKLZUMWPSR-MRVPVSSYSA-N -2 3 277.367 1.383 20 0 CDADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)CCCC(=O)[O-] ZINC000131874535 361162991 /nfs/dbraw/zinc/16/29/91/361162991.db2.gz MVEROLWXLANXFV-ZETCQYMHSA-N -2 3 290.341 1.213 20 0 CDADHL CSc1nnc(NC(=O)c2cc(F)ccc2[O-])[n-]1 ZINC000436542117 361530078 /nfs/dbraw/zinc/53/00/78/361530078.db2.gz DGXIWOXNMQSEPD-UHFFFAOYSA-N -2 3 268.273 1.624 20 0 CDADHL CSc1n[n-]c(NC(=O)c2cc(F)ccc2[O-])n1 ZINC000436542117 361530082 /nfs/dbraw/zinc/53/00/82/361530082.db2.gz DGXIWOXNMQSEPD-UHFFFAOYSA-N -2 3 268.273 1.624 20 0 CDADHL CSc1nc(NC(=O)c2cc(F)ccc2[O-])n[n-]1 ZINC000436542117 361530087 /nfs/dbraw/zinc/53/00/87/361530087.db2.gz DGXIWOXNMQSEPD-UHFFFAOYSA-N -2 3 268.273 1.624 20 0 CDADHL Cc1ccc(C(=O)NCCCc2n[nH]c(=O)[n-]2)c([O-])c1C ZINC000436986501 361630837 /nfs/dbraw/zinc/63/08/37/361630837.db2.gz JYLNWXGJKBIHPU-UHFFFAOYSA-N -2 3 290.323 1.195 20 0 CDADHL CN(C)S(=O)(=O)[N-]c1cc(Cl)ccc1[O-] ZINC000034939291 364193382 /nfs/dbraw/zinc/19/33/82/364193382.db2.gz QPEOLQMYEQRATR-UHFFFAOYSA-N -2 3 250.707 1.264 20 0 CDADHL COc1ccc(C(=O)N(CC(=O)[O-])C2CCCC2)c([O-])c1 ZINC000037586295 369193193 /nfs/dbraw/zinc/19/31/93/369193193.db2.gz UHQTUYPBBNSZST-UHFFFAOYSA-N -2 3 293.319 1.870 20 0 CDADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCCF)c1 ZINC000380865842 372913803 /nfs/dbraw/zinc/91/38/03/372913803.db2.gz VKVYVZHKKRWHQT-UHFFFAOYSA-N -2 3 267.303 1.084 20 0 CDADHL COc1ccc(C(=O)N(C)C[C@@H](C)C(=O)[O-])c([O-])c1 ZINC000042694845 372966061 /nfs/dbraw/zinc/96/60/61/372966061.db2.gz NFFWZXVXBKOGCK-MRVPVSSYSA-N -2 3 267.281 1.194 20 0 CDADHL CCOC(=O)c1ccc(NC(=O)[C@@H](C)C(=O)[O-])c([O-])c1 ZINC000575049534 295091996 /nfs/dbraw/zinc/09/19/96/295091996.db2.gz FQUDMEXXOBZNQU-SSDOTTSWSA-N -2 3 281.264 1.228 20 0 CDADHL O=C(C=Cc1cccc(F)c1)N=c1ccc([O-])n[n-]1 ZINC000492742766 253285411 /nfs/dbraw/zinc/28/54/11/253285411.db2.gz VARJGQQOGZKIBS-XQRVVYSFSA-N -2 3 259.240 1.395 20 0 CDADHL CC(=O)c1[n-]c(=NCC2(C(=O)[O-])CCOCC2)sc1C ZINC000647458023 390963021 /nfs/dbraw/zinc/96/30/21/390963021.db2.gz NMAKKJMGEIASGA-UHFFFAOYSA-N -2 3 298.364 1.369 20 0 CDADHL CCc1ccc([O-])c(C(=O)N[C@@H](CC)C(=O)[O-])c1 ZINC000647768661 391191194 /nfs/dbraw/zinc/19/11/94/391191194.db2.gz OQAOVRZDYUMELF-JTQLQIEISA-N -2 3 251.282 1.548 20 0 CDADHL Cc1oc(S(=O)(=O)[N-][C@H]2C=CCCC2)cc1C(=O)[O-] ZINC000645972785 393441762 /nfs/dbraw/zinc/44/17/62/393441762.db2.gz SDTGYDVMPIUNCO-VIFPVBQESA-N -2 3 285.321 1.673 20 0 CDADHL COC(C)(C)CS(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC000414378216 292061218 /nfs/dbraw/zinc/06/12/18/292061218.db2.gz COUREVXWDHZCHI-UHFFFAOYSA-N -2 3 287.337 1.552 20 0 CDADHL O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ncccc1[O-] ZINC000095155091 147111138 /nfs/dbraw/zinc/11/11/38/147111138.db2.gz UAAOOFBMZGMLAF-UHFFFAOYSA-N -2 3 282.263 1.220 20 0 CDADHL O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ncccc1[O-] ZINC000095155091 147111144 /nfs/dbraw/zinc/11/11/44/147111144.db2.gz UAAOOFBMZGMLAF-UHFFFAOYSA-N -2 3 282.263 1.220 20 0 CDADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2CC[C@H](F)C2)c1 ZINC000352180735 155002369 /nfs/dbraw/zinc/00/23/69/155002369.db2.gz SBGGISYQXXJCON-YUMQZZPRSA-N -2 3 293.341 1.615 20 0 CDADHL CCC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000022151947 171359253 /nfs/dbraw/zinc/35/92/53/171359253.db2.gz SASYYOHKUNKCJD-UHFFFAOYSA-N -2 3 289.328 1.991 20 0 CDADHL CC[C@H](C)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000656718521 413598748 /nfs/dbraw/zinc/59/87/48/413598748.db2.gz TXISGXBGQMXWFT-QMMMGPOBSA-N -2 3 275.326 1.692 20 0 CDADHL CC(C)(F)CC[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000656720796 413605007 /nfs/dbraw/zinc/60/50/07/413605007.db2.gz CJFSUMMJPWLCMA-UHFFFAOYSA-N -2 3 296.345 1.258 20 0 CDADHL Cc1ccc(C(=O)N(CCC(=O)[O-])C2CC2)c([O-])c1 ZINC000037582541 173528473 /nfs/dbraw/zinc/52/84/73/173528473.db2.gz HSYGESRZSJOKNB-UHFFFAOYSA-N -2 3 263.293 1.780 20 0 CDADHL CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccccc1[O-] ZINC000037589348 173537424 /nfs/dbraw/zinc/53/74/24/173537424.db2.gz XCHODHXAJOFLBM-SECBINFHSA-N -2 3 251.282 1.718 20 0 CDADHL CC(C)(CCNc1ncccc1-c1nnn[n-]1)C(=O)[O-] ZINC001589275780 1173133138 /nfs/dbraw/zinc/13/31/38/1173133138.db2.gz HRRWSRFLPPSADH-UHFFFAOYSA-N -2 3 276.300 1.175 20 0 CDADHL CC(C)(CCNc1ncccc1-c1nn[n-]n1)C(=O)[O-] ZINC001589275780 1173133142 /nfs/dbraw/zinc/13/31/42/1173133142.db2.gz HRRWSRFLPPSADH-UHFFFAOYSA-N -2 3 276.300 1.175 20 0 CDADHL CC(C)C[C@@H](CNC(=O)c1ccccc1[O-])C(=O)[O-] ZINC000094702145 265249028 /nfs/dbraw/zinc/24/90/28/265249028.db2.gz IBEUGWWEIZTWAQ-JTQLQIEISA-N -2 3 265.309 1.869 20 0 CDADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2ccccc2F)o1 ZINC000094554810 289060830 /nfs/dbraw/zinc/06/08/30/289060830.db2.gz DMWSUSYPJYJVPG-UHFFFAOYSA-N -2 3 299.279 1.595 20 0 CDADHL CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000562999009 293240257 /nfs/dbraw/zinc/24/02/57/293240257.db2.gz FSWHSEIUTMKVPV-WPRPVWTQSA-N -2 3 275.326 1.303 20 0 CDADHL CCC[C@@](C)([N-]S(=O)(=O)c1cc(C)cs1)C(=O)[O-] ZINC000572153212 294569047 /nfs/dbraw/zinc/56/90/47/294569047.db2.gz JTSUKKLNTQSJOE-LLVKDONJSA-N -2 3 291.394 1.978 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CC23CC3)c(F)c1 ZINC000582893708 325064060 /nfs/dbraw/zinc/06/40/60/325064060.db2.gz FMHQXOVVPDMGQG-SECBINFHSA-N -2 3 299.323 1.602 20 0 CDADHL Cc1ccc(C(=O)[O-])c([N-]S(=O)(=O)[C@H]2CCCOC2)c1 ZINC000584361353 329102691 /nfs/dbraw/zinc/10/26/91/329102691.db2.gz MSCGDQUGOUDIMY-JTQLQIEISA-N -2 3 299.348 1.614 20 0 CDADHL CCC[C@H]([N-]S(=O)(=O)c1c[nH]c(C(C)C)n1)C(=O)[O-] ZINC000680882806 482604194 /nfs/dbraw/zinc/60/41/94/482604194.db2.gz YRYJFTKLSYJVQA-QMMMGPOBSA-N -2 3 289.357 1.065 20 0 CDADHL CCCC[C@H]([N-]S(=O)(=O)c1ccc(C)o1)C(=O)[O-] ZINC000263471429 483158128 /nfs/dbraw/zinc/15/81/28/483158128.db2.gz HWFJTZRLHDAJLZ-VIFPVBQESA-N -2 3 275.326 1.510 20 0 CDADHL CCc1oc(C(=O)[N-]c2n[n-]c(OC)n2)cc1C(=O)OC ZINC000338552528 522999103 /nfs/dbraw/zinc/99/91/03/522999103.db2.gz QCCWCXLDEUKHLQ-UHFFFAOYSA-N -2 3 294.267 1.008 20 0 CDADHL O=C([O-])[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)C1CC1 ZINC000054502814 526311220 /nfs/dbraw/zinc/31/12/20/526311220.db2.gz DFHLQOVMLWQNPX-GFCCVEGCSA-N -2 3 286.287 1.121 20 0 CDADHL CC(C)(C)c1nc(=S)n(CN2CCC[C@@H](C(=O)[O-])C2)[n-]1 ZINC000736303918 575617265 /nfs/dbraw/zinc/61/72/65/575617265.db2.gz SLHKLJFSVZFQMM-SECBINFHSA-N -2 3 298.412 1.992 20 0 CDADHL C[C@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)[O-] ZINC000736716327 575727175 /nfs/dbraw/zinc/72/71/75/575727175.db2.gz KSBOWJHOMFUKLT-LURJTMIESA-N -2 3 250.283 1.432 20 0 CDADHL O=C(OCc1cc(=O)c([O-])co1)c1cc(F)c([O-])c(F)c1 ZINC000759542157 576400626 /nfs/dbraw/zinc/40/06/26/576400626.db2.gz DGGPCSQYRIHWII-UHFFFAOYSA-N -2 3 298.197 1.686 20 0 CDADHL O=C([O-])NCCCC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000739967810 576405177 /nfs/dbraw/zinc/40/51/77/576405177.db2.gz YRLNJSSNQSSCSJ-UHFFFAOYSA-N -2 3 279.256 1.051 20 0 CDADHL O=C([O-])NCCCC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000739967810 576405179 /nfs/dbraw/zinc/40/51/79/576405179.db2.gz YRLNJSSNQSSCSJ-UHFFFAOYSA-N -2 3 279.256 1.051 20 0 CDADHL O=C([O-])NCCCC(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000739967810 576405181 /nfs/dbraw/zinc/40/51/81/576405181.db2.gz YRLNJSSNQSSCSJ-UHFFFAOYSA-N -2 3 279.256 1.051 20 0 CDADHL O=C([N-]OCC(F)F)c1n[n-]c2ccccc2c1=O ZINC000759325097 577168747 /nfs/dbraw/zinc/16/87/47/577168747.db2.gz UFRXNNQAWQPIFC-UHFFFAOYSA-N -2 3 269.207 1.262 20 0 CDADHL CCOc1ccccc1C(F)(F)C(=O)[N-]Cc1nn[n-]n1 ZINC000753579775 577178221 /nfs/dbraw/zinc/17/82/21/577178221.db2.gz WDFXHFOLIDKBCM-UHFFFAOYSA-N -2 3 297.265 1.007 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@H]1CC12CCC2 ZINC001602487975 1175261669 /nfs/dbraw/zinc/26/16/69/1175261669.db2.gz AEQXFEFGBQAGCA-QMMMGPOBSA-N -2 3 271.294 1.199 20 0 CDADHL COc1ccc(C(=O)N[C@H](CC(=O)[O-])C2CC2)c([O-])c1 ZINC000137153098 601563327 /nfs/dbraw/zinc/56/33/27/601563327.db2.gz RIOBIIFVXZTHMZ-LLVKDONJSA-N -2 3 279.292 1.384 20 0 CDADHL C[C@H]1CC[C@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC000903026522 625803402 /nfs/dbraw/zinc/80/34/02/625803402.db2.gz QNZPSHVSSSGKNP-BQBZGAKWSA-N -2 3 290.366 1.308 20 0 CDADHL CC[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909121175 628522302 /nfs/dbraw/zinc/52/23/02/628522302.db2.gz NCSBAKFXSVPIFO-NSHDSACASA-N -2 3 283.299 1.833 20 0 CDADHL O=C(Cc1ccc([O-])c(F)c1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000909832450 628700690 /nfs/dbraw/zinc/70/06/90/628700690.db2.gz DMBFBNJUOXFKOT-DTORHVGOSA-N -2 3 267.256 1.053 20 0 CDADHL O=C([O-])c1ccc(NC(=O)c2cccc3n[n-]nc32)cc1 ZINC001610835092 1165458951 /nfs/dbraw/zinc/45/89/51/1165458951.db2.gz MDSIEIPKMJZXNH-UHFFFAOYSA-N -2 3 282.259 1.908 20 0 CDADHL CC(C)c1coc([N-]C(=O)c2cc(C(=O)[O-])no2)n1 ZINC001573532882 1170682986 /nfs/dbraw/zinc/68/29/86/1170682986.db2.gz FVZOSKHJCQFFJC-UHFFFAOYSA-N -2 3 265.225 1.737 20 0 CDADHL C[C@@H](Sc1n[nH]c(=O)[n-]1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590037985 1173237327 /nfs/dbraw/zinc/23/73/27/1173237327.db2.gz VOZIGWWKXCMUOX-ZCFIWIBFSA-N -2 3 289.324 1.544 20 0 CDADHL C[C@@H](Sc1n[nH]c(=O)[n-]1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590037985 1173237333 /nfs/dbraw/zinc/23/73/33/1173237333.db2.gz VOZIGWWKXCMUOX-ZCFIWIBFSA-N -2 3 289.324 1.544 20 0 CDADHL C[C@H]1CC[C@H](C(=O)[O-])CN1c1ccc(-c2nn[n-]n2)cc1 ZINC001590226668 1173305560 /nfs/dbraw/zinc/30/55/60/1173305560.db2.gz RPPHLVWUMSKANZ-ONGXEEELSA-N -2 3 287.323 1.556 20 0 CDADHL Cc1cc(=O)[n-]c(N2CCC[C@@](C)(C(=O)[O-])C2)n1 ZINC001600285234 1174437403 /nfs/dbraw/zinc/43/74/03/1174437403.db2.gz FNRMQAKMFPGTGF-GFCCVEGCSA-N -2 3 251.286 1.182 20 0 CDADHL O=C([O-])[C@@H](F)CNC(=O)c1cc([O-])c2ccccc2c1 ZINC001601521305 1174889941 /nfs/dbraw/zinc/88/99/41/1174889941.db2.gz DVWMMRYZDWLUBJ-NSHDSACASA-N -2 3 277.251 1.698 20 0 CDADHL O=C([O-])CC1(CC(=O)NCc2ncccc2[O-])CCCC1 ZINC001601913387 1175061786 /nfs/dbraw/zinc/06/17/86/1175061786.db2.gz CQCCSBRPSAAOTJ-UHFFFAOYSA-N -2 3 292.335 1.829 20 0 CDADHL CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC000139720231 1177422897 /nfs/dbraw/zinc/42/28/97/1177422897.db2.gz IJXIJLLLPRCNLJ-UHFFFAOYSA-N -2 3 295.719 1.866 20 0 CDADHL O=C([O-])CCCS(=O)(=O)[N-]C1(C(F)F)CCCC1 ZINC001608718297 1164619443 /nfs/dbraw/zinc/61/94/43/1164619443.db2.gz IRNXIANAGBBKAR-UHFFFAOYSA-N -2 3 285.312 1.349 20 0 CDADHL O=C([O-])CCCCCC[N-]S(=O)(=O)c1ccco1 ZINC000790615531 742028287 /nfs/dbraw/zinc/02/82/87/742028287.db2.gz IGCBSCUZKYFQPB-UHFFFAOYSA-N -2 3 275.326 1.593 20 0 CDADHL O=C([N-]O[C@@H]1CCCCO1)c1n[n-]c2ccccc2c1=O ZINC000109961318 739413930 /nfs/dbraw/zinc/41/39/30/739413930.db2.gz YGMLMJLUHUCEGQ-LLVKDONJSA-N -2 3 289.291 1.111 20 0 CDADHL C[C@H]1CC[C@H]([N-]S(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC000130980069 739521085 /nfs/dbraw/zinc/52/10/85/739521085.db2.gz LQBCDWOYJMWCAL-BQBZGAKWSA-N -2 3 290.366 1.308 20 0 CDADHL C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC000130979828 740072986 /nfs/dbraw/zinc/07/29/86/740072986.db2.gz LQBCDWOYJMWCAL-RQJHMYQMSA-N -2 3 290.366 1.308 20 0 CDADHL O=C([O-])CN(C(=O)NCc1ccc([O-])c(F)c1)C1CC1 ZINC000780685719 740292710 /nfs/dbraw/zinc/29/27/10/740292710.db2.gz FAQBUUCDEVUNSS-UHFFFAOYSA-N -2 3 282.271 1.290 20 0 CDADHL CC[C@@H](C(=O)[O-])N(C)C(=O)c1nnc2ccccc2c1[O-] ZINC000846713871 741797576 /nfs/dbraw/zinc/79/75/76/741797576.db2.gz IKMGYBFUVBRMFD-JTQLQIEISA-N -2 3 289.291 1.271 20 0 CDADHL O=C([O-])C1(NC(=O)NCc2ccc([O-])c(F)c2)CCCC1 ZINC000780686086 742797406 /nfs/dbraw/zinc/79/74/06/742797406.db2.gz JBGSPBJSSJYUKP-UHFFFAOYSA-N -2 3 296.298 1.728 20 0 CDADHL O=C([O-])c1cc(Nc2cnc[n-]c2=O)cc(C(=O)[O-])c1 ZINC001176239353 914003583 /nfs/dbraw/zinc/00/35/83/914003583.db2.gz PBDZIKWHHMLKCN-UHFFFAOYSA-N -3 3 275.220 1.322 20 0 CDADHL COc1ccc(OC[C@H](C)OCCP(=O)([O-])[O-])cc1 ZINC001224602736 909917833 /nfs/dbraw/zinc/91/78/33/909917833.db2.gz SZHQGPNJRFYFGO-JTQLQIEISA-N -2 3 290.252 1.657 20 0 CDADHL O=C(Nc1cncc([O-])c1)c1ccccc1S(=O)(=O)[O-] ZINC001189668528 921594753 /nfs/dbraw/zinc/59/47/53/921594753.db2.gz UCXKQKVQKCPZLU-UHFFFAOYSA-N -2 3 294.288 1.286 20 0 CDADHL CC1(C)CC[C@@H](C(=O)NCCCCP(=O)([O-])[O-])C1 ZINC001185174896 919456282 /nfs/dbraw/zinc/45/62/82/919456282.db2.gz RLCVWAICTJBOTE-SNVBAGLBSA-N -2 3 277.301 1.887 20 0 CDADHL O=S(=O)([N-]c1cc([O-])cc(Cl)c1)c1c[nH]cn1 ZINC001187762570 920655188 /nfs/dbraw/zinc/65/51/88/920655188.db2.gz PYVQPWZEODMFJK-UHFFFAOYSA-N -2 3 273.701 1.570 20 0 CDADHL CCOC(=O)[C@H](CC(C)C)OCCCCP(=O)([O-])[O-] ZINC001225021850 941816478 /nfs/dbraw/zinc/81/64/78/941816478.db2.gz JMQARDAZCMVERD-NSHDSACASA-N -2 3 296.300 1.939 20 0 CDADHL O=C(Cc1cccc(O)c1)NCCCCP(=O)([O-])[O-] ZINC001142853997 937079508 /nfs/dbraw/zinc/07/95/08/937079508.db2.gz HLAKNATUDDLMBC-UHFFFAOYSA-N -2 3 287.252 1.009 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1cnc2cc[nH]c2c1 ZINC001150907535 937256827 /nfs/dbraw/zinc/25/68/27/937256827.db2.gz KZQVVDUUVILBPG-UHFFFAOYSA-N -2 3 297.251 1.251 20 0 CDADHL COC(=O)[C@H](OCCCCP(=O)([O-])[O-])C(F)(F)F ZINC001225021370 941814820 /nfs/dbraw/zinc/81/48/20/941814820.db2.gz GOUVQGNPKAIRKI-LURJTMIESA-N -2 3 294.162 1.065 20 0 CDADHL O=c1nc(OC[C@H]2CCc3ccccc3O2)[n-]c(=O)[n-]1 ZINC001227565787 942189176 /nfs/dbraw/zinc/18/91/76/942189176.db2.gz BWNFCBXZYMSSNA-SECBINFHSA-N -2 3 275.264 1.055 20 0 CDADHL COc1ccccc1OC[C@@H](C)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227571376 942190601 /nfs/dbraw/zinc/19/06/01/942190601.db2.gz SUMDWCYHBRBCIA-MRVPVSSYSA-N -2 3 293.279 1.138 20 0 CDADHL Cc1cccc(OC[C@H](C)Oc2nc(=O)[n-]c(=O)[n-]2)c1 ZINC001227570443 942190739 /nfs/dbraw/zinc/19/07/39/942190739.db2.gz KPWAWGVRNABMOE-VIFPVBQESA-N -2 3 277.280 1.438 20 0 CDADHL Cc1cccc2c1[C@@H](Oc1nc(=O)[n-]c(=O)[n-]1)CC2 ZINC001227569027 942191088 /nfs/dbraw/zinc/19/10/88/942191088.db2.gz SHLHQPODSZOIOL-VIFPVBQESA-N -2 3 259.265 1.658 20 0 CDADHL CC(C)[C@@H](Oc1[n-]c(=O)nc2cn[n-]c21)C(F)(F)F ZINC001233934134 943693496 /nfs/dbraw/zinc/69/34/96/943693496.db2.gz HMJYAHNDEQGMNC-SSDOTTSWSA-N -2 3 276.218 1.612 20 0 CDADHL O=c1nc2cn[n-]c2c(OC2CCC(F)(F)CC2)[n-]1 ZINC001233935003 943694041 /nfs/dbraw/zinc/69/40/41/943694041.db2.gz QJHODUHBIDHMBR-UHFFFAOYSA-N -2 3 270.239 1.603 20 0 CDADHL C[C@H](CC(=O)[O-])Nc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000095241482 944619595 /nfs/dbraw/zinc/61/95/95/944619595.db2.gz PEKNVQZVWTVYJG-SSDOTTSWSA-N -2 3 288.311 1.026 20 0 CDADHL C[C@H](CC(=O)[O-])Nc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000095241482 944619600 /nfs/dbraw/zinc/61/96/00/944619600.db2.gz PEKNVQZVWTVYJG-SSDOTTSWSA-N -2 3 288.311 1.026 20 0 CDADHL CC[C@@H](C)S(=O)(=O)[N-]c1ccc(C(N)=O)cc1[O-] ZINC001260743355 945888609 /nfs/dbraw/zinc/88/86/09/945888609.db2.gz OQAPJYUQDZSRAT-SSDOTTSWSA-N -2 3 272.326 1.031 20 0 CDADHL [CH2]CC[N-]S(=O)(=O)c1cc(Cl)sc1C(=O)OC ZINC001261064311 945953639 /nfs/dbraw/zinc/95/36/39/945953639.db2.gz WEMOHHXNWHPJQZ-UHFFFAOYSA-N -2 3 296.777 1.691 20 0 CDADHL CCc1nc(C)c(C(=O)NCc2nc([O-])cc(=O)[n-]2)s1 ZINC001363155135 971931176 /nfs/dbraw/zinc/93/11/76/971931176.db2.gz XSHCWPHDDCYIQX-UHFFFAOYSA-N -2 3 294.336 1.145 20 0 CDADHL C[C@H](NC(=O)c1cc([O-])cc(Br)c1)C(=O)[O-] ZINC000700686541 954870148 /nfs/dbraw/zinc/87/01/48/954870148.db2.gz ZALUNDIVYWBLCY-YFKPBYRVSA-N -2 3 288.097 1.358 20 0 CDADHL CC[C@@H](CNC(=O)NCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC001589538827 955186159 /nfs/dbraw/zinc/18/61/59/955186159.db2.gz OJVWLIXEKZYHOZ-VIFPVBQESA-N -2 3 284.287 1.441 20 0 CDADHL Cc1nsc([N-]C(=O)c2csc(C(=O)[O-])n2)n1 ZINC000227276038 959942567 /nfs/dbraw/zinc/94/25/67/959942567.db2.gz DECQXBCXJQLYKF-UHFFFAOYSA-N -2 3 270.295 1.254 20 0 CDADHL O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001574345958 960967373 /nfs/dbraw/zinc/96/73/73/960967373.db2.gz QXEAWEDJCSOKAP-JGVFFNPUSA-N -2 3 275.264 1.318 20 0 CDADHL O=C([O-])[C@H]1[C@@H]2CN(C(=O)Cc3ccc([O-])c(F)c3)CC[C@@H]21 ZINC001550924301 966282346 /nfs/dbraw/zinc/28/23/46/966282346.db2.gz RKSJHZUBBXKOIC-IMSIIYSGSA-N -2 3 293.294 1.253 20 0 CDADHL CSc1ccc([O-])c(C(=O)N[C@@H](CF)C(=O)[O-])c1 ZINC001599820180 988499006 /nfs/dbraw/zinc/49/90/06/988499006.db2.gz QOLVEGWENNRPGE-QMMMGPOBSA-N -2 3 273.285 1.267 20 0 CDADHL CC1(C)CCC[C@](NC(=O)c2cc(=O)[n-]cn2)(C(=O)[O-])C1 ZINC001593892428 996740805 /nfs/dbraw/zinc/74/08/05/996740805.db2.gz MVDUQZYMCOHQEV-CQSZACIVSA-N -2 3 293.323 1.336 20 0 CDADHL Cc1c(C=Cc2nccc(=O)[n-]2)c(C(=O)[O-])nn1C ZINC001600009769 1174339892 /nfs/dbraw/zinc/33/98/92/1174339892.db2.gz RDJNFJZKIWLEEX-ONEGZZNKSA-N -2 3 260.253 1.093 20 0 CDADHL CCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000092113998 342062620 /nfs/dbraw/zinc/06/26/20/342062620.db2.gz WCPBTCLPZUJCKI-UHFFFAOYSA-N -2 3 261.274 1.212 20 0 CDADHL CCCCN(C)S(=O)(=O)[N-]c1cc(F)ccc1[O-] ZINC000125110881 187170247 /nfs/dbraw/zinc/17/02/47/187170247.db2.gz KAPVVKIWSQEDGK-UHFFFAOYSA-N -2 3 276.333 1.920 20 0 CDADHL Cc1cccc(C(=O)NC2(CC(=O)[O-])CCC2)c1[O-] ZINC000094290996 539039369 /nfs/dbraw/zinc/03/93/69/539039369.db2.gz ZYWVRSBXRAGHPW-UHFFFAOYSA-N -2 3 263.293 1.828 20 0 CDADHL COCC1(S(=O)(=O)[N-]c2cccc([O-])c2F)CC1 ZINC000641686539 365730810 /nfs/dbraw/zinc/73/08/10/365730810.db2.gz YYVWMUGKRILUKH-UHFFFAOYSA-N -2 3 275.301 1.452 20 0 CDADHL O=C(CCCc1nnn[n-]1)N1CCCc2cccc([O-])c21 ZINC000635754291 362497014 /nfs/dbraw/zinc/49/70/14/362497014.db2.gz ROEYKUKOTKMVRR-UHFFFAOYSA-N -2 3 287.323 1.207 20 0 CDADHL O=C(CCCc1nn[n-]n1)N1CCCc2cccc([O-])c21 ZINC000635754291 362497022 /nfs/dbraw/zinc/49/70/22/362497022.db2.gz ROEYKUKOTKMVRR-UHFFFAOYSA-N -2 3 287.323 1.207 20 0 CDADHL O=C(NCCCc1n[nH]c(=O)[n-]1)c1cc([O-])ccc1Cl ZINC000354969313 365809068 /nfs/dbraw/zinc/80/90/68/365809068.db2.gz MVPHXMDEZOQACQ-UHFFFAOYSA-N -2 3 296.714 1.232 20 0 CDADHL CC[C@H](C)[C@H](NC(=O)c1cc(OC)ccc1[O-])C(=O)[O-] ZINC000036975526 356302464 /nfs/dbraw/zinc/30/24/64/356302464.db2.gz YTFQABSPCYENFM-UFBFGSQYSA-N -2 3 281.308 1.630 20 0 CDADHL COCCS(=O)(=O)[N-]c1cc(C)cc(C)c1C(=O)[O-] ZINC000356472452 366339125 /nfs/dbraw/zinc/33/91/25/366339125.db2.gz BKEOLYKKUNHIOU-UHFFFAOYSA-N -2 3 287.337 1.390 20 0 CDADHL O=C(CCc1cnc2ccccc2c1)N=c1ccc([O-])n[n-]1 ZINC000348511385 360117311 /nfs/dbraw/zinc/11/73/11/360117311.db2.gz OERAABJMOQAXRM-UHFFFAOYSA-N -2 3 294.314 1.724 20 0 CDADHL O=C([O-])[C@@H]1CSCCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000565252422 364024747 /nfs/dbraw/zinc/02/47/47/364024747.db2.gz BKBGFUNFDAWQBA-JTQLQIEISA-N -2 3 295.364 1.062 20 0 CDADHL Cc1ccc(C(=O)NCC2(C(=O)[O-])CCOCC2)c([O-])c1 ZINC000165905654 364334321 /nfs/dbraw/zinc/33/43/21/364334321.db2.gz CGMFTHLHRNEGNP-UHFFFAOYSA-N -2 3 293.319 1.312 20 0 CDADHL O=C([O-])CC[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000270486587 364620912 /nfs/dbraw/zinc/62/09/12/364620912.db2.gz LLCBPGBUEQTARJ-UHFFFAOYSA-N -2 3 299.135 1.141 20 0 CDADHL CC[C@@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)C(=O)[O-] ZINC000270500102 364626572 /nfs/dbraw/zinc/62/65/72/364626572.db2.gz NQJYUEPAUZSBFL-SECBINFHSA-N -2 3 293.291 1.415 20 0 CDADHL CC[C@H](C)CO[N-]C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000293839847 370820788 /nfs/dbraw/zinc/82/07/88/370820788.db2.gz WKXNGIOBRKRUJJ-QMMMGPOBSA-N -2 3 280.353 1.726 20 0 CDADHL CN=c1[n-]nc(CC(=O)Nc2ccc([O-])cc2F)s1 ZINC000358149186 367470361 /nfs/dbraw/zinc/47/03/61/367470361.db2.gz FCEYZIBPUAOKEK-UHFFFAOYSA-N -2 3 282.300 1.028 20 0 CDADHL CC(=O)c1ccc(C(=O)N2CCC[C@@H]2C(=O)[O-])cc1[O-] ZINC000582359774 370535431 /nfs/dbraw/zinc/53/54/31/370535431.db2.gz JHJPKMVLAOGUIB-LLVKDONJSA-N -2 3 277.276 1.284 20 0 CDADHL Cc1noc(C)c1S(=O)(=O)[N-]CC[C@H](C)CC(=O)[O-] ZINC000275058732 371199204 /nfs/dbraw/zinc/19/92/04/371199204.db2.gz UHCPQARIZSGYSF-ZETCQYMHSA-N -2 3 290.341 1.071 20 0 CDADHL CC(C)(C)n1cnc(=NC(=O)c2cc(C(F)F)[n-]n2)[n-]1 ZINC000640111904 374205232 /nfs/dbraw/zinc/20/52/32/374205232.db2.gz AKKBXSJBBHSLGO-UHFFFAOYSA-N -2 3 284.270 1.368 20 0 CDADHL C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000036965465 374573195 /nfs/dbraw/zinc/57/31/95/374573195.db2.gz HXMMCVCMUSGCKV-RXMQYKEDSA-N -2 3 281.692 1.231 20 0 CDADHL O=C(Nc1nnn[n-]1)c1ccc2ccccc2c1[O-] ZINC000094155571 378135403 /nfs/dbraw/zinc/13/54/03/378135403.db2.gz ADNQCBPHYNQSGI-UHFFFAOYSA-N -2 3 255.237 1.311 20 0 CDADHL O=C(Nc1nn[n-]n1)c1ccc2ccccc2c1[O-] ZINC000094155571 378135407 /nfs/dbraw/zinc/13/54/07/378135407.db2.gz ADNQCBPHYNQSGI-UHFFFAOYSA-N -2 3 255.237 1.311 20 0 CDADHL O=C([O-])c1coc(C[N-]S(=O)(=O)c2cccs2)c1 ZINC000525958699 391674398 /nfs/dbraw/zinc/67/43/98/391674398.db2.gz CRQQVUDXHZJCKZ-UHFFFAOYSA-N -2 3 287.318 1.518 20 0 CDADHL Cc1cc(=O)[n-]c([C@H](C)N2CC[C@@](C)(C(=O)[O-])C2)n1 ZINC000568074056 392356778 /nfs/dbraw/zinc/35/67/78/392356778.db2.gz VFRPAYOUDYOVOR-TVQRCGJNSA-N -2 3 265.313 1.348 20 0 CDADHL Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)c([O-])c1 ZINC000262830554 131264996 /nfs/dbraw/zinc/26/49/96/131264996.db2.gz RIQJXYKWUJDMLO-MNOVXSKESA-N -2 3 277.320 1.883 20 0 CDADHL O=C([O-])[C@H](CF)[N-]C(=O)C(F)(F)c1ccccc1 ZINC000262950673 131275679 /nfs/dbraw/zinc/27/56/79/131275679.db2.gz MUHSRJNFMUUERE-QMMMGPOBSA-N -2 3 261.199 1.317 20 0 CDADHL CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000663418578 412177324 /nfs/dbraw/zinc/17/73/24/412177324.db2.gz HSCIYBGHTSOEAV-VXNVDRBHSA-N -2 3 289.353 1.999 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)C2CCC2)oc1C(=O)[O-] ZINC000663422337 412178945 /nfs/dbraw/zinc/17/89/45/412178945.db2.gz JSHZINPCGZCHGC-QMMMGPOBSA-N -2 3 287.337 1.753 20 0 CDADHL C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000037462450 173224647 /nfs/dbraw/zinc/22/46/47/173224647.db2.gz ZMUQIFQHEWXVAE-RXMQYKEDSA-N -2 3 281.692 1.231 20 0 CDADHL O=C([O-])C[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC000038026221 174011678 /nfs/dbraw/zinc/01/16/78/174011678.db2.gz CMIWOWDYVGVBPQ-SNVBAGLBSA-N -2 3 263.293 1.862 20 0 CDADHL COc1cccc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])c1[O-] ZINC000094702571 265248881 /nfs/dbraw/zinc/24/88/81/265248881.db2.gz UYYJQHPPZZAKEC-SNVBAGLBSA-N -2 3 295.335 1.878 20 0 CDADHL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccs1 ZINC000136248484 280225980 /nfs/dbraw/zinc/22/59/80/280225980.db2.gz QBNQYOUQNFRXEY-QMMMGPOBSA-N -2 3 277.367 1.526 20 0 CDADHL COC(=O)c1ccc(C(=O)Nc2cccc([O-])c2F)[n-]1 ZINC000556693005 290282351 /nfs/dbraw/zinc/28/23/51/290282351.db2.gz VZSLZWLNOXFZON-UHFFFAOYSA-N -2 3 278.239 1.898 20 0 CDADHL Cc1ccc(C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)c([O-])c1 ZINC000564979940 293477860 /nfs/dbraw/zinc/47/78/60/293477860.db2.gz YCQWFNNJWGSNED-CMPLNLGQSA-N -2 3 277.320 1.883 20 0 CDADHL O=C([N-]c1n[n-]c(SCCO)n1)c1ocnc1C1CC1 ZINC000570604831 294270881 /nfs/dbraw/zinc/27/08/81/294270881.db2.gz NDOWDTFRJAMLPL-UHFFFAOYSA-N -2 3 295.324 1.007 20 0 CDADHL C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1ccco1 ZINC000574973292 295081982 /nfs/dbraw/zinc/08/19/82/295081982.db2.gz DZXVOKBXVLBFDN-CABZTGNLSA-N -2 3 287.337 1.591 20 0 CDADHL O=C([O-])CC1(C(=O)NCc2ncccc2[O-])CCC1 ZINC000577221594 317289283 /nfs/dbraw/zinc/28/92/83/317289283.db2.gz SPAODQZLRHCXHH-UHFFFAOYSA-N -2 3 264.281 1.048 20 0 CDADHL COc1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc1O ZINC000670369848 482845011 /nfs/dbraw/zinc/84/50/11/482845011.db2.gz GCKNUXFBQWFMKN-HYXAFXHYSA-N -2 3 288.259 1.765 20 0 CDADHL CC(C)c1nc(S(=O)(=O)[N-]CCCCC(=O)[O-])c[nH]1 ZINC000681558053 482921588 /nfs/dbraw/zinc/92/15/88/482921588.db2.gz KSBLAGSCPWLTSH-UHFFFAOYSA-N -2 3 289.357 1.066 20 0 CDADHL CCCn1c(=O)[n-]nc1SCCCCC(=O)[O-] ZINC000061593689 521614122 /nfs/dbraw/zinc/61/41/22/521614122.db2.gz AYAQTWDWHVRHJK-UHFFFAOYSA-N -2 3 259.331 1.328 20 0 CDADHL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000274965409 533796646 /nfs/dbraw/zinc/79/66/46/533796646.db2.gz IECNVTRJCHDPLW-SSDOTTSWSA-N -2 3 292.744 1.267 20 0 CDADHL CC[C@@H](C)[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000184839631 522230650 /nfs/dbraw/zinc/23/06/50/522230650.db2.gz YVZPWIKKHWJDQM-MRVPVSSYSA-N -2 3 289.328 1.909 20 0 CDADHL O=C([O-])CC[C@@H]1CCCCN1C(=O)c1ccc(O)cc1[O-] ZINC000050921019 527596151 /nfs/dbraw/zinc/59/61/51/527596151.db2.gz ZVZNDKYSKQVLNS-JTQLQIEISA-N -2 3 293.319 1.957 20 0 CDADHL Cc1ccc([O-])c([N-]S(=O)(=O)C2CCCC2)n1 ZINC000097835593 1174613745 /nfs/dbraw/zinc/61/37/45/1174613745.db2.gz PIRUJJFPVMEBRT-UHFFFAOYSA-N -2 3 256.327 1.202 20 0 CDADHL Cc1[n-]ncc1S(=O)(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000738170720 576046467 /nfs/dbraw/zinc/04/64/67/576046467.db2.gz MNGFOWOVNBAIEJ-UHFFFAOYSA-N -2 3 297.292 1.576 20 0 CDADHL Cc1ccc(NC(=O)CCCNC(=O)[O-])c([O-])c1 ZINC000738614925 576095758 /nfs/dbraw/zinc/09/57/58/576095758.db2.gz HWOKQWUCSCHLSH-UHFFFAOYSA-N -2 3 252.270 1.687 20 0 CDADHL Cc1occc1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000738984090 576145656 /nfs/dbraw/zinc/14/56/56/576145656.db2.gz DXKZMTDEENDYND-UHFFFAOYSA-N -2 3 285.277 1.358 20 0 CDADHL O=C([O-])CCc1ccc(N=c2ncnc3[nH][n-]cc2-3)cc1 ZINC000739767053 576291755 /nfs/dbraw/zinc/29/17/55/576291755.db2.gz RBFGOTJGHJIJTC-UHFFFAOYSA-N -2 3 283.291 1.487 20 0 CDADHL O=C([O-])c1cc(C(=O)Nc2c([O-])cccc2Cl)on1 ZINC001602247887 1175180309 /nfs/dbraw/zinc/18/03/09/1175180309.db2.gz LSBZPVFOQLTNDX-UHFFFAOYSA-N -2 3 282.639 1.984 20 0 CDADHL CC(C)N(CC(=O)[O-])C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000037994213 598075307 /nfs/dbraw/zinc/07/53/07/598075307.db2.gz BYJACTIQAZVNDN-UHFFFAOYSA-N -2 3 288.303 1.463 20 0 CDADHL Cc1c(C(=O)[O-])sc2[n-]c([C@H]3CCCO3)nc(=O)c12 ZINC000833741736 604872243 /nfs/dbraw/zinc/87/22/43/604872243.db2.gz VZFAHMSRVJICFV-ZCFIWIBFSA-N -2 3 280.305 1.843 20 0 CDADHL O=S(=O)(CCC1CC1)[N-]c1n[n-]c(C(F)F)n1 ZINC000903150907 625876082 /nfs/dbraw/zinc/87/60/82/625876082.db2.gz ZRKZVEMDZQPIDU-UHFFFAOYSA-N -2 3 266.273 1.284 20 0 CDADHL O=C([O-])CSCCC(=O)Nc1cccc([O-])c1F ZINC000911430541 629280334 /nfs/dbraw/zinc/28/03/34/629280334.db2.gz CRLZWYBSKFBZNZ-UHFFFAOYSA-N -2 3 273.285 1.678 20 0 CDADHL O=C([O-])C12CC(C(=O)[N-]OCCC(F)(F)F)(C1)C2 ZINC000911805342 629535717 /nfs/dbraw/zinc/53/57/17/629535717.db2.gz NDPWHXFCVTXFCF-UHFFFAOYSA-N -2 3 267.203 1.242 20 0 CDADHL O=C([O-])C1(NC(=O)c2cc(F)cc3n[n-]nc32)CCCC1 ZINC001610683043 1165405931 /nfs/dbraw/zinc/40/59/31/1165405931.db2.gz FUNIPKSYLKMHOO-UHFFFAOYSA-N -2 3 292.270 1.224 20 0 CDADHL Cc1cc(-c2nnn[n-]2)cc(NC[C@H](C(=O)[O-])C(C)C)n1 ZINC001591858002 1173721685 /nfs/dbraw/zinc/72/16/85/1173721685.db2.gz MBJYVQUQVFNGFW-JTQLQIEISA-N -2 3 290.327 1.339 20 0 CDADHL Cc1cc(-c2nn[n-]n2)cc(NC[C@H](C(=O)[O-])C(C)C)n1 ZINC001591858002 1173721688 /nfs/dbraw/zinc/72/16/88/1173721688.db2.gz MBJYVQUQVFNGFW-JTQLQIEISA-N -2 3 290.327 1.339 20 0 CDADHL Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)cn1 ZINC001592182403 1173826469 /nfs/dbraw/zinc/82/64/69/1173826469.db2.gz JMFCFJLGXVKIIE-UHFFFAOYSA-N -2 3 296.290 1.528 20 0 CDADHL Cc1nc(NCC2(C(=O)[O-])CCC2)ccc1-c1nnn[n-]1 ZINC001592386531 1173877366 /nfs/dbraw/zinc/87/73/66/1173877366.db2.gz VWMLBIVQULFXMG-UHFFFAOYSA-N -2 3 288.311 1.237 20 0 CDADHL Cc1nc(NCC2(C(=O)[O-])CCC2)ccc1-c1nn[n-]n1 ZINC001592386531 1173877370 /nfs/dbraw/zinc/87/73/70/1173877370.db2.gz VWMLBIVQULFXMG-UHFFFAOYSA-N -2 3 288.311 1.237 20 0 CDADHL O=C([O-])C1(CNc2cccc(F)c2-c2nnn[n-]2)CCC1 ZINC001593272437 1174045761 /nfs/dbraw/zinc/04/57/61/1174045761.db2.gz BIWYVOJXHONBFI-UHFFFAOYSA-N -2 3 291.286 1.673 20 0 CDADHL O=C([O-])C1(CNc2cccc(F)c2-c2nn[n-]n2)CCC1 ZINC001593272437 1174045766 /nfs/dbraw/zinc/04/57/66/1174045766.db2.gz BIWYVOJXHONBFI-UHFFFAOYSA-N -2 3 291.286 1.673 20 0 CDADHL O=C([O-])c1ccc(CNC(=O)c2c([O-])cccc2O)nc1 ZINC001602343659 1175217525 /nfs/dbraw/zinc/21/75/25/1175217525.db2.gz PBTGFSPOCGCSED-UHFFFAOYSA-N -2 3 288.259 1.121 20 0 CDADHL O=C([O-])c1cncc(NCc2ccc([O-])c(F)c2)n1 ZINC001602540113 1175281808 /nfs/dbraw/zinc/28/18/08/1175281808.db2.gz JKCAWQPXIMWIKS-UHFFFAOYSA-N -2 3 263.228 1.632 20 0 CDADHL CC(C)[C@H](CNc1cc(-c2nnn[n-]2)ccn1)C(=O)[O-] ZINC001603220017 1175516797 /nfs/dbraw/zinc/51/67/97/1175516797.db2.gz YANZWKURLIXUDX-VIFPVBQESA-N -2 3 276.300 1.030 20 0 CDADHL CC(C)[C@H](CNc1cc(-c2nn[n-]n2)ccn1)C(=O)[O-] ZINC001603220017 1175516803 /nfs/dbraw/zinc/51/68/03/1175516803.db2.gz YANZWKURLIXUDX-VIFPVBQESA-N -2 3 276.300 1.030 20 0 CDADHL CC(C)(C)C[C@@H](NC(=O)c1ccc(N)cc1[O-])C(=O)[O-] ZINC001603328010 1175540812 /nfs/dbraw/zinc/54/08/12/1175540812.db2.gz RXNQLALSZAAULW-SNVBAGLBSA-N -2 3 280.324 1.594 20 0 CDADHL O=C([O-])c1cc(C=Cc2nccc(=O)[n-]2)ccc1O ZINC000809154602 745474343 /nfs/dbraw/zinc/47/43/43/745474343.db2.gz ZNEWDXHLHOJXRJ-RQOWECAXSA-N -2 3 258.233 1.756 20 0 CDADHL CSc1nc(=O)[n-]c(C)c1C(=O)[N-]OCC1CCC1 ZINC000856348430 745779153 /nfs/dbraw/zinc/77/91/53/745779153.db2.gz ZOXRTMGHUKEKDH-UHFFFAOYSA-N -2 3 283.353 1.674 20 0 CDADHL Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c([O-])c1 ZINC000263346697 746428362 /nfs/dbraw/zinc/42/83/62/746428362.db2.gz OUCOLTFVDRDGKH-QWRGUYRKSA-N -2 3 277.320 1.883 20 0 CDADHL Nc1ccc(C(=O)N2CCC[C@@H](CC(=O)[O-])CC2)c([O-])c1 ZINC000844935882 749177806 /nfs/dbraw/zinc/17/78/06/749177806.db2.gz NMNIJZMSNRAUJN-SNVBAGLBSA-N -2 3 292.335 1.691 20 0 CDADHL O=C([O-])[C@@H](CF)NC(=O)c1cc([O-])c2ccccc2c1 ZINC001610680607 1165404550 /nfs/dbraw/zinc/40/45/50/1165404550.db2.gz GWMPLSZKLVXDHT-LLVKDONJSA-N -2 3 277.251 1.698 20 0 CDADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H](C)CC(C)C)c1C(=O)[O-] ZINC001574181559 1167631898 /nfs/dbraw/zinc/63/18/98/1167631898.db2.gz AWWCLGJAWABXSS-SSDOTTSWSA-N -2 3 289.357 1.129 20 0 CDADHL O=C([O-])c1cncc(Nc2cc(=O)[n-]c(=S)[nH]2)c1 ZINC001175837350 913798713 /nfs/dbraw/zinc/79/87/13/913798713.db2.gz JHGQYGUIHCYFJD-UHFFFAOYSA-N -2 3 264.266 1.308 20 0 CDADHL O=C([O-])Cn1cc(Nc2ncc(Cl)cc2[O-])cn1 ZINC001176265639 914035379 /nfs/dbraw/zinc/03/53/79/914035379.db2.gz WNHQGUGEWVKXHI-UHFFFAOYSA-N -2 3 268.660 1.465 20 0 CDADHL C[C@@H](CC(F)(F)F)C(=O)NCCCCP(=O)([O-])[O-] ZINC001179870424 916053916 /nfs/dbraw/zinc/05/39/16/916053916.db2.gz MBCJGVITIMTOFO-ZETCQYMHSA-N -2 3 291.206 1.649 20 0 CDADHL O=C(CCC(F)=C(F)F)NCCCCP(=O)([O-])[O-] ZINC001180282146 916256422 /nfs/dbraw/zinc/25/64/22/916256422.db2.gz WWROEUZWOYYROB-UHFFFAOYSA-N -2 3 289.190 1.918 20 0 CDADHL COC(=O)c1nc2ccc(NCc3cc(=O)[n-]o3)nc2[n-]1 ZINC001169492004 928134572 /nfs/dbraw/zinc/13/45/72/928134572.db2.gz HIOYRLWYUKKWMT-UHFFFAOYSA-N -2 3 289.251 1.050 20 0 CDADHL COC(=O)c1nc2nc(NCc3cc(=O)[n-]o3)ccc2[n-]1 ZINC001169492004 928134576 /nfs/dbraw/zinc/13/45/76/928134576.db2.gz HIOYRLWYUKKWMT-UHFFFAOYSA-N -2 3 289.251 1.050 20 0 CDADHL COC(=O)c1nc2ccc(NCc3cc(=O)[n-]o3)[n-]c-2n1 ZINC001169492004 928134581 /nfs/dbraw/zinc/13/45/81/928134581.db2.gz HIOYRLWYUKKWMT-UHFFFAOYSA-N -2 3 289.251 1.050 20 0 CDADHL COC(=O)c1cnc(S[C@H](C(=O)[O-])C2CC2)[n-]1 ZINC001604365849 973062494 /nfs/dbraw/zinc/06/24/94/973062494.db2.gz FTFKGQOSVSNPDW-ZETCQYMHSA-N -2 3 256.283 1.152 20 0 CDADHL COc1cccc([O-])c1C(=O)Nc1c(C)[n-][nH]c1=O ZINC001160097708 938768629 /nfs/dbraw/zinc/76/86/29/938768629.db2.gz ZCFFFJYCKZAKCD-UHFFFAOYSA-N -2 3 263.253 1.390 20 0 CDADHL COc1ccc(OC)c([C@@H](C)Oc2nc(=O)[n-]c(=O)[n-]2)c1 ZINC001227569687 942190798 /nfs/dbraw/zinc/19/07/98/942190798.db2.gz DZXRUGBPYRJAFS-SSDOTTSWSA-N -2 3 293.279 1.440 20 0 CDADHL CC[C@@H]1CCCC[C@H]1Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233934613 943693765 /nfs/dbraw/zinc/69/37/65/943693765.db2.gz MFHMHPZQJGNWEM-PSASIEDQSA-N -2 3 262.313 1.994 20 0 CDADHL CC[C@](COC)(NC(=O)c1ccc(OC)cc1[O-])C(=O)[O-] ZINC000328562294 971502869 /nfs/dbraw/zinc/50/28/69/971502869.db2.gz HRFUPCYJBPCUGI-CQSZACIVSA-N -2 3 297.307 1.010 20 0 CDADHL CCCS(=O)(=O)[N-]c1c([O-])cccc1C(=O)OC ZINC001253698897 952045821 /nfs/dbraw/zinc/04/58/21/952045821.db2.gz YEABYUARSWAQDW-UHFFFAOYSA-N -2 3 273.310 1.331 20 0 CDADHL C[C@@H]1CCN(C(=O)c2c([O-])cccc2O)C[C@H]1C(=O)[O-] ZINC000693495724 954763129 /nfs/dbraw/zinc/76/31/29/954763129.db2.gz LPAVCCRXKIVXSF-RKDXNWHRSA-N -2 3 279.292 1.281 20 0 CDADHL COc1cccc2c(C(=O)OCCCC(=O)[O-])n[n-]c21 ZINC001594135214 958700094 /nfs/dbraw/zinc/70/00/94/958700094.db2.gz ZBYNRXMASPKHHW-UHFFFAOYSA-N -2 3 278.264 1.593 20 0 CDADHL CC(C)CO[N-]C(=O)Cc1ccccc1C(=O)[O-] ZINC000228052938 967710434 /nfs/dbraw/zinc/71/04/34/967710434.db2.gz CGPRPKSZDYJJSX-UHFFFAOYSA-N -2 3 251.282 1.631 20 0 CDADHL CC1(C2([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)CC2)CC1 ZINC000398276746 973100992 /nfs/dbraw/zinc/10/09/92/973100992.db2.gz KTIZLFGIYIUILT-UHFFFAOYSA-N -2 3 285.321 1.589 20 0 CDADHL COc1cccc([O-])c1C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000404586060 973733919 /nfs/dbraw/zinc/73/39/19/973733919.db2.gz DIHFDGRPAUUUQS-UHFFFAOYSA-N -2 3 291.259 1.622 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]Cc2ccco2)c1 ZINC000694173847 976674997 /nfs/dbraw/zinc/67/49/97/976674997.db2.gz WZRGBGUNMWSFDU-UHFFFAOYSA-N -2 3 271.250 1.049 20 0 CDADHL Cc1cccc([O-])c1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C ZINC000706610262 977356806 /nfs/dbraw/zinc/35/68/06/977356806.db2.gz LCCAPLLXMWZJME-UWVGGRQHSA-N -2 3 263.293 1.636 20 0 CDADHL CC1(C)SC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000710640837 977517247 /nfs/dbraw/zinc/51/72/47/977517247.db2.gz JSJYLBVKBXIWJO-ZETCQYMHSA-N -2 3 291.350 1.150 20 0 CDADHL C[C@@H](CC(=O)[O-])CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001592396733 977961707 /nfs/dbraw/zinc/96/17/07/977961707.db2.gz ZYDNQMODLKABRT-SSDOTTSWSA-N -2 3 277.280 1.708 20 0 CDADHL CCOc1nnc(NC(=O)c2oc(C(=O)[O-])cc2C)[n-]1 ZINC001597193861 987082108 /nfs/dbraw/zinc/08/21/08/987082108.db2.gz QSOKIVUNUJBFEQ-UHFFFAOYSA-N -2 3 280.240 1.055 20 0 CDADHL CCOc1nc(NC(=O)c2oc(C(=O)[O-])cc2C)n[n-]1 ZINC001597193861 987082118 /nfs/dbraw/zinc/08/21/18/987082118.db2.gz QSOKIVUNUJBFEQ-UHFFFAOYSA-N -2 3 280.240 1.055 20 0 CDADHL CCOc1n[n-]c(NC(=O)c2oc(C(=O)[O-])cc2C)n1 ZINC001597193861 987082130 /nfs/dbraw/zinc/08/21/30/987082130.db2.gz QSOKIVUNUJBFEQ-UHFFFAOYSA-N -2 3 280.240 1.055 20 0 CDADHL CCc1ccc(C(=O)N2CC[C@](OC)(C(=O)[O-])C2)c([O-])c1 ZINC001597498919 988049480 /nfs/dbraw/zinc/04/94/80/988049480.db2.gz SFIQZDYFNCCQJO-OAHLLOKOSA-N -2 3 293.319 1.270 20 0 CDADHL CSc1ccc([O-])c(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])c1 ZINC001599820423 988504360 /nfs/dbraw/zinc/50/43/60/988504360.db2.gz ZGIYZZTUYONPNF-GXSJLCMTSA-N -2 3 297.332 1.086 20 0 CDADHL CON(C(=O)Cc1ccc([O-])c(F)c1)[C@H](C)CC(=O)[O-] ZINC001599309932 997396769 /nfs/dbraw/zinc/39/67/69/997396769.db2.gz MUSUYOCDANTBKH-MRVPVSSYSA-N -2 3 285.271 1.327 20 0 CDADHL CCOC(=O)c1nc([N-]S(=O)(=O)CCC2CC2)c[n-]1 ZINC000585730859 342454973 /nfs/dbraw/zinc/45/49/73/342454973.db2.gz IZYKYFIVBSIJJN-UHFFFAOYSA-N -2 3 287.341 1.128 20 0 CDADHL C[C@]1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C[C@H]2C[C@H]2C1 ZINC000629341192 361844035 /nfs/dbraw/zinc/84/40/35/361844035.db2.gz VLOJCXMBCUNTHN-WOFXILAISA-N -2 3 299.348 1.692 20 0 CDADHL Cc1cccc(C(=O)N(CC(=O)[O-])CC2CC2)c1[O-] ZINC000036884217 539141531 /nfs/dbraw/zinc/14/15/31/539141531.db2.gz KVZVVBRHJQOXMD-UHFFFAOYSA-N -2 3 263.293 1.637 20 0 CDADHL COc1ccc([O-])c(C(=O)N(CCC(=O)[O-])C2CC2)c1 ZINC000037582671 539142647 /nfs/dbraw/zinc/14/26/47/539142647.db2.gz XZWAKNUCQNKVSE-UHFFFAOYSA-N -2 3 279.292 1.480 20 0 CDADHL CCOC(=O)c1ncc(NC(=O)c2ccc(F)cc2[O-])[n-]1 ZINC000619446475 349718855 /nfs/dbraw/zinc/71/88/55/349718855.db2.gz LRPHDSXOCXVSHU-UHFFFAOYSA-N -2 3 293.254 1.683 20 0 CDADHL CCOC(=O)c1nc(NC(=O)c2ccc(F)cc2[O-])c[n-]1 ZINC000619446475 349718858 /nfs/dbraw/zinc/71/88/58/349718858.db2.gz LRPHDSXOCXVSHU-UHFFFAOYSA-N -2 3 293.254 1.683 20 0 CDADHL COc1ccsc1S(=O)(=O)[N-]CC(C)(C)C(=O)[O-] ZINC000275211043 365964158 /nfs/dbraw/zinc/96/41/58/365964158.db2.gz HRGQIHBCFKCPCN-UHFFFAOYSA-N -2 3 293.366 1.146 20 0 CDADHL COc1cccc(C(=O)N[C@H](C(=O)[O-])C(C)C)c1[O-] ZINC000019519162 356489748 /nfs/dbraw/zinc/48/97/48/356489748.db2.gz HHOFFCXYXPCPSV-JTQLQIEISA-N -2 3 267.281 1.240 20 0 CDADHL CCCCc1[n-]n(-c2nnc(C)c(=O)[n-]2)c(=O)c1C ZINC000634586085 356465320 /nfs/dbraw/zinc/46/53/20/356465320.db2.gz BIEYOIMDPMSRAE-SSDOTTSWSA-N -2 3 263.301 1.415 20 0 CDADHL COc1ccc([O-])c(C(=O)N(CCC(=O)[O-])C(C)C)c1 ZINC000037585162 356497008 /nfs/dbraw/zinc/49/70/08/356497008.db2.gz WMJDDTHYUHSJCO-UHFFFAOYSA-N -2 3 281.308 1.726 20 0 CDADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)c1 ZINC000036983355 356894459 /nfs/dbraw/zinc/89/44/59/356894459.db2.gz BWZKJJDQIPPXJW-LLVKDONJSA-N -2 3 289.328 1.522 20 0 CDADHL C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000054333893 357317817 /nfs/dbraw/zinc/31/78/17/357317817.db2.gz OPARXLHUOOCUCA-LURJTMIESA-N -2 3 295.719 1.478 20 0 CDADHL O=C([O-])c1ccccc1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000063155381 357508141 /nfs/dbraw/zinc/50/81/41/357508141.db2.gz LPIDSLKJHAXCEA-SECBINFHSA-N -2 3 285.321 1.306 20 0 CDADHL Cc1ccc(C(=O)N[C@@]2(CC(=O)[O-])CCOC2)c([O-])c1 ZINC000262818375 359190916 /nfs/dbraw/zinc/19/09/16/359190916.db2.gz BLANBQSUKYFUOQ-CQSZACIVSA-N -2 3 279.292 1.064 20 0 CDADHL CCN(C)S(=O)(=O)[N-]c1cc(Cl)ccc1[O-] ZINC000266787208 363656289 /nfs/dbraw/zinc/65/62/89/363656289.db2.gz OPDJWACDRJRELC-UHFFFAOYSA-N -2 3 264.734 1.654 20 0 CDADHL C[C@@H](O[C@@H](C)C(=O)Nc1cc(Cl)ccc1[O-])C(=O)[O-] ZINC000421810727 359452265 /nfs/dbraw/zinc/45/22/65/359452265.db2.gz XVBUTRFEENPEOA-NKWVEPMBSA-N -2 3 287.699 1.862 20 0 CDADHL Cc1cccc(F)c1S(=O)(=O)[N-]CC1(C(=O)[O-])CC1 ZINC000297157044 200100588 /nfs/dbraw/zinc/10/05/88/200100588.db2.gz JKRNVCLOAXKAKO-UHFFFAOYSA-N -2 3 287.312 1.277 20 0 CDADHL Cc1cccc(S(=O)(=O)[N-][C@@H]2C=C[C@H](C(=O)[O-])C2)c1F ZINC000274965370 239069288 /nfs/dbraw/zinc/06/92/88/239069288.db2.gz IDRHENHCAYHDRB-VHSXEESVSA-N -2 3 299.323 1.442 20 0 CDADHL Cc1ncc(CN=c2nc(C(C)C)[n-]s2)c(=O)[n-]1 ZINC000543189729 368893762 /nfs/dbraw/zinc/89/37/62/368893762.db2.gz IZFVTOCVZMCARK-UHFFFAOYSA-N -2 3 265.342 1.500 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]C[C@H](C)C(=O)[O-])c(F)c1 ZINC000274928050 371197789 /nfs/dbraw/zinc/19/77/89/371197789.db2.gz OGFJMBMCWVLTBH-QMMMGPOBSA-N -2 3 275.301 1.133 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CC[C@H](C)C[C@H]2C(=O)[O-])n1 ZINC000571929063 377597303 /nfs/dbraw/zinc/59/73/03/377597303.db2.gz FETUWEDOEHVFRM-ONGXEEELSA-N -2 3 279.340 1.430 20 0 CDADHL O=C(N=c1ccc([O-])n[n-]1)C1(C(F)F)CCCC1 ZINC000572039831 377672032 /nfs/dbraw/zinc/67/20/32/377672032.db2.gz VKJQVHYDPCEOOL-UHFFFAOYSA-N -2 3 257.240 1.368 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CCSC[C@@H]2CC(=O)[O-])n1 ZINC000572127235 377724448 /nfs/dbraw/zinc/72/44/48/377724448.db2.gz AEPXGSFQAFUCIZ-JTQLQIEISA-N -2 3 297.380 1.137 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CCC(C)(C(=O)[O-])CC2)n1 ZINC000647376201 390952210 /nfs/dbraw/zinc/95/22/10/390952210.db2.gz ORWNUCPSNLXMDD-UHFFFAOYSA-N -2 3 279.340 1.431 20 0 CDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccco1)c1cccs1 ZINC000519856187 391718471 /nfs/dbraw/zinc/71/84/71/391718471.db2.gz DQNPERPPWNTPHO-SECBINFHSA-N -2 3 287.318 1.445 20 0 CDADHL CC(C)[C@H]([N-]S(=O)(=O)c1cncc(Cl)c1)C(=O)[O-] ZINC000261626759 131157789 /nfs/dbraw/zinc/15/77/89/131157789.db2.gz CXIBIAGYPZJQFL-VIFPVBQESA-N -2 3 292.744 1.123 20 0 CDADHL CCN(C(=O)c1cccc(OC)c1[O-])[C@H](C)C(=O)[O-] ZINC000659774557 424515853 /nfs/dbraw/zinc/51/58/53/424515853.db2.gz IFQXBTXPYLMSJX-MRVPVSSYSA-N -2 3 267.281 1.336 20 0 CDADHL CO[C@H](CS(=O)(=O)[N-]c1ccccc1C(=O)[O-])C1CC1 ZINC000568511310 294049529 /nfs/dbraw/zinc/04/95/29/294049529.db2.gz KMBNTQZRBYKTIR-GFCCVEGCSA-N -2 3 299.348 1.552 20 0 CDADHL CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000577107038 317267303 /nfs/dbraw/zinc/26/73/03/317267303.db2.gz ZYLAMEQGYKULAS-SFYZADRCSA-N -2 3 275.326 1.691 20 0 CDADHL Cc1csc(S(=O)(=O)[N-][C@@H](C)CCCC(=O)[O-])c1 ZINC000579804825 324283569 /nfs/dbraw/zinc/28/35/69/324283569.db2.gz SOMXGVWWNJRQHW-VIFPVBQESA-N -2 3 291.394 1.978 20 0 CDADHL CC(C)c1nc(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])c[nH]1 ZINC000681681676 482959713 /nfs/dbraw/zinc/95/97/13/482959713.db2.gz UCUSBIIOXJGIBB-UHFFFAOYSA-N -2 3 289.357 1.065 20 0 CDADHL CCOc1nc(C(=O)[N-]c2n[n-]c(C(F)(F)F)n2)co1 ZINC000680369083 483597593 /nfs/dbraw/zinc/59/75/93/483597593.db2.gz ASFUMLBFKFJBPC-UHFFFAOYSA-N -2 3 291.189 1.463 20 0 CDADHL O=S(=O)([N-]c1cc(F)ccc1[O-])C1CCOCC1 ZINC000085203614 1161314182 /nfs/dbraw/zinc/31/41/82/1161314182.db2.gz PDVLTHLARFOKSD-UHFFFAOYSA-N -2 3 275.301 1.452 20 0 CDADHL Cc1ccccc1CCC(=O)[N-]OCCCC(=O)[O-] ZINC001600578365 1174512818 /nfs/dbraw/zinc/51/28/18/1174512818.db2.gz KEEGDHKXQBJDLN-UHFFFAOYSA-N -2 3 265.309 1.840 20 0 CDADHL Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H](CCF)C(=O)[O-] ZINC001600687567 1174563522 /nfs/dbraw/zinc/56/35/22/1174563522.db2.gz JGIMTZPTGYRBBE-QMMMGPOBSA-N -2 3 299.302 1.157 20 0 CDADHL O=C([O-])C12CC(C(=O)[N-]OCCCC(F)(F)F)(C1)C2 ZINC001601728316 1174970716 /nfs/dbraw/zinc/97/07/16/1174970716.db2.gz AXTCRTISEDBEDC-UHFFFAOYSA-N -2 3 281.230 1.632 20 0 CDADHL CC(C)(CC(=O)[O-])NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000736311168 575619474 /nfs/dbraw/zinc/61/94/74/575619474.db2.gz KSYWBCJQYXAUDC-DHZHZOJOSA-N -2 3 288.303 1.140 20 0 CDADHL CC1(C)Cc2ccc(C(=O)NCCC(=O)[O-])c([O-])c2O1 ZINC000736736932 575731341 /nfs/dbraw/zinc/73/13/41/575731341.db2.gz JWVPEFFBCRHLIV-UHFFFAOYSA-N -2 3 279.292 1.310 20 0 CDADHL Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)c([O-])c1C ZINC000738515488 576085644 /nfs/dbraw/zinc/08/56/44/576085644.db2.gz TULKBMAQPKWMIG-LLVKDONJSA-N -2 3 292.335 1.881 20 0 CDADHL Cc1nonc1C(=O)[N-]c1sccc1C(=O)[O-] ZINC000738955849 576141777 /nfs/dbraw/zinc/14/17/77/576141777.db2.gz CVWVKYKIBYDECR-UHFFFAOYSA-N -2 3 253.239 1.390 20 0 CDADHL O=C([O-])CSCCC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001602099057 1175129950 /nfs/dbraw/zinc/12/99/50/1175129950.db2.gz OVUSNZKRSQFDAI-UHFFFAOYSA-N -2 3 295.320 1.415 20 0 CDADHL O=C([O-])C1(NC(=O)c2ccc(O)cc2[O-])CCCCC1 ZINC000019428706 597335003 /nfs/dbraw/zinc/33/50/03/597335003.db2.gz QHYNPYVHWJUHBD-UHFFFAOYSA-N -2 3 279.292 1.615 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCC2CCC2)o1 ZINC000133859520 601586646 /nfs/dbraw/zinc/58/66/46/601586646.db2.gz DKNZVDAKYXYXPE-UHFFFAOYSA-N -2 3 273.310 1.446 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])c(F)cc1F ZINC000832902690 601832695 /nfs/dbraw/zinc/83/26/95/601832695.db2.gz FETNYVDCGACFOL-UHFFFAOYSA-N -2 3 293.291 1.415 20 0 CDADHL C[C@@]1(C(=O)[O-])CCC[C@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000909998700 628808407 /nfs/dbraw/zinc/80/84/07/628808407.db2.gz FDJDMCWOESJLGR-IUODEOHRSA-N -2 3 295.310 1.833 20 0 CDADHL O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cccc([O-])c2F)C1 ZINC000911431543 629281421 /nfs/dbraw/zinc/28/14/21/629281421.db2.gz YDUDEFKKEXEKRI-JGVFFNPUSA-N -2 3 267.256 1.971 20 0 CDADHL C[C@H](Cc1ccco1)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001604234497 1163130724 /nfs/dbraw/zinc/13/07/24/1163130724.db2.gz QMVFROGTCCOPEK-MRVPVSSYSA-N -2 3 299.304 1.480 20 0 CDADHL CCOC(=O)c1ncc(NC(=O)c2cc(C(=O)[O-])co2)[n-]1 ZINC001605581085 1163614713 /nfs/dbraw/zinc/61/47/13/1163614713.db2.gz GUALGROHYRUNNY-UHFFFAOYSA-N -2 3 293.235 1.130 20 0 CDADHL CCOC(=O)c1nc(NC(=O)c2cc(C(=O)[O-])co2)c[n-]1 ZINC001605581085 1163614716 /nfs/dbraw/zinc/61/47/16/1163614716.db2.gz GUALGROHYRUNNY-UHFFFAOYSA-N -2 3 293.235 1.130 20 0 CDADHL CCc1cccc(C(=O)NCCCCP(=O)([O-])[O-])c1 ZINC001192982889 1164384739 /nfs/dbraw/zinc/38/47/39/1164384739.db2.gz IKOYNZFPXVEMTI-UHFFFAOYSA-N -2 3 285.280 1.937 20 0 CDADHL C[C@H](CC(=O)[O-])Nc1c(F)cc(-c2nn[n-]n2)cc1F ZINC001609108849 1164772583 /nfs/dbraw/zinc/77/25/83/1164772583.db2.gz IPLLZXANVRTAHA-RXMQYKEDSA-N -2 3 283.238 1.420 20 0 CDADHL C[C@H](CC(=O)[O-])Nc1c(F)cc(-c2nnn[n-]2)cc1F ZINC001609108849 1164772574 /nfs/dbraw/zinc/77/25/74/1164772574.db2.gz IPLLZXANVRTAHA-RXMQYKEDSA-N -2 3 283.238 1.420 20 0 CDADHL CCc1ccc(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c([O-])c1 ZINC001610060608 1165199316 /nfs/dbraw/zinc/19/93/16/1165199316.db2.gz XVVABHLDAWRHEB-PJXYFTJBSA-N -2 3 275.304 1.357 20 0 CDADHL Cc1ccc(C(=O)NCc2ccc(C(=O)[O-])cn2)c([O-])c1 ZINC001610485036 1165327766 /nfs/dbraw/zinc/32/77/66/1165327766.db2.gz YAHIJSZVLRBRKQ-UHFFFAOYSA-N -2 3 286.287 1.724 20 0 CDADHL O=C([O-])[C@H]1CCN(c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC001593276521 1174047332 /nfs/dbraw/zinc/04/73/32/1174047332.db2.gz MHHSOCJRWBLATO-LURJTMIESA-N -2 3 295.249 1.056 20 0 CDADHL O=C([O-])[C@H]1CCN(c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC001593276521 1174047335 /nfs/dbraw/zinc/04/73/35/1174047335.db2.gz MHHSOCJRWBLATO-LURJTMIESA-N -2 3 295.249 1.056 20 0 CDADHL O=C([O-])C1CCC(Nc2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000103689248 1174683855 /nfs/dbraw/zinc/68/38/55/1174683855.db2.gz SBDBIXRCIQTXRC-UHFFFAOYSA-N -2 3 288.311 1.317 20 0 CDADHL O=C([O-])C1CCC(Nc2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000103689248 1174683856 /nfs/dbraw/zinc/68/38/56/1174683856.db2.gz SBDBIXRCIQTXRC-UHFFFAOYSA-N -2 3 288.311 1.317 20 0 CDADHL O=C(/C=C/c1ccc(C(=O)[O-])o1)Nc1ncccc1[O-] ZINC001601237036 1174804729 /nfs/dbraw/zinc/80/47/29/1174804729.db2.gz BFAHDPGWYRBTPC-GQCTYLIASA-N -2 3 274.232 1.730 20 0 CDADHL O=C([O-])c1ccc(CC(=O)[N-]OC/C=C/Cl)cc1 ZINC001601356338 1174843077 /nfs/dbraw/zinc/84/30/77/1174843077.db2.gz NSZRYEOLXOHCID-LZCJLJQNSA-N -2 3 269.684 1.728 20 0 CDADHL O=C([O-])[C@@H](CNC(=O)c1c[n-]ncc1=O)CC1CCCC1 ZINC001601462138 1174875962 /nfs/dbraw/zinc/87/59/62/1174875962.db2.gz SNRXKOPJRHTOCO-SNVBAGLBSA-N -2 3 293.323 1.193 20 0 CDADHL O=C([O-])c1ccc(CN2CCC[C@@H](c3n[n-]c(=O)o3)C2)o1 ZINC001602339214 1175213986 /nfs/dbraw/zinc/21/39/86/1175213986.db2.gz UHVCMBZRACYESH-MRVPVSSYSA-N -2 3 293.279 1.446 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C23CCC(CC2)CC3)o1 ZINC001602398639 1175232197 /nfs/dbraw/zinc/23/21/97/1175232197.db2.gz SUOOTNAIRRKFLW-UHFFFAOYSA-N -2 3 299.348 1.979 20 0 CDADHL O=C([O-])c1occc1CNC(=O)c1c([O-])cccc1O ZINC001602589685 1175311254 /nfs/dbraw/zinc/31/12/54/1175311254.db2.gz IQICYQPPTZABKZ-UHFFFAOYSA-N -2 3 277.232 1.319 20 0 CDADHL O=C([O-])c1occc1CN1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC001602591057 1175311615 /nfs/dbraw/zinc/31/16/15/1175311615.db2.gz SGSGHYOOGVXLEV-SECBINFHSA-N -2 3 293.279 1.446 20 0 CDADHL O=C([O-])CCN(CC(=O)[O-])Cc1cccc(Cl)n1 ZINC001608721113 1164620620 /nfs/dbraw/zinc/62/06/20/1164620620.db2.gz WYQQPHHLOZYRPA-UHFFFAOYSA-N -2 3 272.688 1.096 20 0 CDADHL O=C([O-])[C@@H](Cc1ccc(Cl)cc1)OC(=O)c1cnn[n-]1 ZINC001609013383 1164723051 /nfs/dbraw/zinc/72/30/51/1164723051.db2.gz CBWFTILVGDVIBH-SNVBAGLBSA-N -2 3 295.682 1.311 20 0 CDADHL O=C([O-])[C@@H](Cc1ccc(Cl)cc1)OC(=O)c1c[n-]nn1 ZINC001609013383 1164723057 /nfs/dbraw/zinc/72/30/57/1164723057.db2.gz CBWFTILVGDVIBH-SNVBAGLBSA-N -2 3 295.682 1.311 20 0 CDADHL CC(C)(NC(=O)[O-])C(=O)Nc1cccc([O-])c1F ZINC000833460551 749830959 /nfs/dbraw/zinc/83/09/59/749830959.db2.gz CFZHQVSVOVLDHO-UHFFFAOYSA-N -2 3 256.233 1.516 20 0 CDADHL O=S(=O)([N-]c1nc[n-]n1)C1=Cc2ccccc2CC1 ZINC000113700345 749923356 /nfs/dbraw/zinc/92/33/56/749923356.db2.gz SINBJJMGMLFDKI-UHFFFAOYSA-N -2 3 276.321 1.534 20 0 CDADHL O=S(=O)(C[C@@H]1CCCOC1)[N-]c1cc(F)ccc1[O-] ZINC000788138440 750312703 /nfs/dbraw/zinc/31/27/03/750312703.db2.gz CZTUVRYMKWCJEL-SECBINFHSA-N -2 3 289.328 1.700 20 0 CDADHL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc(N)cc2[O-])C1 ZINC000844934995 751095509 /nfs/dbraw/zinc/09/55/09/751095509.db2.gz QRZNRJXWPPBLQI-DTWKUNHWSA-N -2 3 278.308 1.157 20 0 CDADHL CCc1ncc(S(=O)(=O)[N-]CC[C@@H](C)C(=O)[O-])s1 ZINC000776588461 753427451 /nfs/dbraw/zinc/42/74/51/753427451.db2.gz GNZDCMYHNHZREC-SSDOTTSWSA-N -2 3 292.382 1.095 20 0 CDADHL O=C([O-])CCC(=O)COC(=O)c1cc(-c2ccco2)[n-]n1 ZINC001610765544 1165433819 /nfs/dbraw/zinc/43/38/19/1165433819.db2.gz BWFJCZLLYDGVHK-UHFFFAOYSA-N -2 3 292.247 1.260 20 0 CDADHL Cc1ccc(C)c(C(=O)NCCCCP(=O)([O-])[O-])n1 ZINC001184610079 919213758 /nfs/dbraw/zinc/21/37/58/919213758.db2.gz XVHXWGSNXRWURB-UHFFFAOYSA-N -2 3 286.268 1.386 20 0 CDADHL C[C@@H]1C[C@H](OCCCCP(=O)([O-])[O-])CCO1 ZINC001225019016 941815498 /nfs/dbraw/zinc/81/54/98/941815498.db2.gz ORYVWGFMIGNGKV-NXEZZACHSA-N -2 3 252.247 1.528 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])Nc1ccc(F)cc1 ZINC001202364292 926546130 /nfs/dbraw/zinc/54/61/30/926546130.db2.gz LPBZGXSBRVUIBJ-UHFFFAOYSA-N -2 3 290.231 1.905 20 0 CDADHL CC1(C)CC(=O)CC[C@H]1OCCP(=O)([O-])[O-] ZINC001224604766 941773926 /nfs/dbraw/zinc/77/39/26/941773926.db2.gz FYXWXKJDJVOQGP-SECBINFHSA-N -2 3 250.231 1.329 20 0 CDADHL CCCOC(=O)[C@@H](C)Oc1nc2ncnc-2c([S-])[n-]1 ZINC001226784768 942069607 /nfs/dbraw/zinc/06/96/07/942069607.db2.gz IXZMVPIVSONVBK-ZCFIWIBFSA-N -2 3 282.325 1.362 20 0 CDADHL Cc1cc(-c2nnn[n-]2)ccc1-c1ccc(C(=O)[O-])nc1 ZINC001242338562 946684305 /nfs/dbraw/zinc/68/43/05/946684305.db2.gz VVATZPANIFJFET-UHFFFAOYSA-N -2 3 281.275 1.935 20 0 CDADHL Cc1cc(-c2nn[n-]n2)ccc1-c1ccc(C(=O)[O-])nc1 ZINC001242338562 946684308 /nfs/dbraw/zinc/68/43/08/946684308.db2.gz VVATZPANIFJFET-UHFFFAOYSA-N -2 3 281.275 1.935 20 0 CDADHL O=S(=O)([N-][C@@H]1[CH]CC=C1)c1ccc(F)cc1F ZINC001256118597 948209776 /nfs/dbraw/zinc/20/97/76/948209776.db2.gz OOTVCRDPNAXHMQ-VIFPVBQESA-N -2 3 258.269 1.776 20 0 CDADHL CN(CCCC(=O)[O-])C(=O)c1ccc(O)cc1[O-] ZINC000036925016 948819872 /nfs/dbraw/zinc/81/98/72/948819872.db2.gz VWUAHYCXXNDOFA-UHFFFAOYSA-N -2 3 253.254 1.035 20 0 CDADHL CCN(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@H](C)C(=O)[O-] ZINC001589706653 950295741 /nfs/dbraw/zinc/29/57/41/950295741.db2.gz XZBUHRFUDVABHI-SECBINFHSA-N -2 3 288.303 1.463 20 0 CDADHL CCCS(=O)(=O)[N-]c1ccc(C(=O)OC)cc1[O-] ZINC001253692653 952040336 /nfs/dbraw/zinc/04/03/36/952040336.db2.gz LLIMBFALTWZTGO-UHFFFAOYSA-N -2 3 273.310 1.331 20 0 CDADHL O=C([O-])[C@@H]1CCCCCN1C(=O)c1cccc(O)c1[O-] ZINC000126040139 958577527 /nfs/dbraw/zinc/57/75/27/958577527.db2.gz ARCSBBFFFSZZJS-JTQLQIEISA-N -2 3 279.292 1.567 20 0 CDADHL CC(C)(C)CC[C@@H](NC(=O)c1c[n-]ncc1=O)C(=O)[O-] ZINC001573424434 958785357 /nfs/dbraw/zinc/78/53/57/958785357.db2.gz IUNUTCJZPAYWLS-SECBINFHSA-N -2 3 281.312 1.192 20 0 CDADHL O=C([O-])Cc1ccccc1CNC(=O)c1ccccc1[O-] ZINC000133017200 958808431 /nfs/dbraw/zinc/80/84/31/958808431.db2.gz RINFVZGTLWRGBY-UHFFFAOYSA-N -2 3 285.299 1.949 20 0 CDADHL CC(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC000140113153 958970600 /nfs/dbraw/zinc/97/06/00/958970600.db2.gz CIPOAXLRAUVXDH-UHFFFAOYSA-N -2 3 295.719 1.864 20 0 CDADHL O=C([O-])C1(NC(=O)c2cc(=O)c3ccccc3[n-]2)CCC1 ZINC000164824508 959263831 /nfs/dbraw/zinc/26/38/31/959263831.db2.gz ZXRLNFPWTKFEJP-UHFFFAOYSA-N -2 3 286.287 1.265 20 0 CDADHL C[C@]1(C(=O)[O-])CCN(Cc2ccc([O-])c(F)c2F)C1 ZINC001573653491 959658506 /nfs/dbraw/zinc/65/85/06/959658506.db2.gz HSVOLRSMDYCZMF-ZDUSSCGKSA-N -2 3 271.263 1.967 20 0 CDADHL O=C([O-])c1ccccc1CNC(=O)c1ccc(O)cc1[O-] ZINC001574577108 962081910 /nfs/dbraw/zinc/08/19/10/962081910.db2.gz SJJKERROGBJNMT-UHFFFAOYSA-N -2 3 287.271 1.726 20 0 CDADHL Cc1cc(=O)[n-]c(CNC(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC001574126579 962513751 /nfs/dbraw/zinc/51/37/51/962513751.db2.gz CRELAEYVJMHDFU-UHFFFAOYSA-N -2 3 287.275 1.119 20 0 CDADHL CC(C)c1ccc(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])c([O-])c1 ZINC001571006156 963252140 /nfs/dbraw/zinc/25/21/40/963252140.db2.gz VJWHRRRBTXHNDA-ZYHUDNBSSA-N -2 3 277.320 1.966 20 0 CDADHL C[C@H](C(=O)[O-])C(=O)Nc1ccc(Br)cc1[O-] ZINC001609706271 970479973 /nfs/dbraw/zinc/47/99/73/970479973.db2.gz NNEXDKFMPMLYMH-YFKPBYRVSA-N -2 3 288.097 1.814 20 0 CDADHL CC(C)n1cc(Cl)c([N-]S(=O)(=O)CCC(=O)[O-])n1 ZINC001592131530 976966811 /nfs/dbraw/zinc/96/68/11/976966811.db2.gz KDVHAAOENIAXMG-UHFFFAOYSA-N -2 3 295.748 1.334 20 0 CDADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C1(C)CC1 ZINC000706564412 977353747 /nfs/dbraw/zinc/35/37/47/977353747.db2.gz CVHHDGLWIDDFTR-ZETCQYMHSA-N -2 3 273.310 1.445 20 0 CDADHL CC[C@@](C)(NC(=O)c1cc(=O)[n-]c(C2CC2)n1)C(=O)[O-] ZINC001594842630 982063894 /nfs/dbraw/zinc/06/38/94/982063894.db2.gz SOYUGEZCZWXKSF-CYBMUJFWSA-N -2 3 279.296 1.043 20 0 CDADHL CCc1cccc(C(=O)N2CCC[C@H](O)[C@@H]2C(=O)[O-])c1[O-] ZINC001597570674 988349067 /nfs/dbraw/zinc/34/90/67/988349067.db2.gz XNLUSCHFAPBKLW-NWDGAFQWSA-N -2 3 293.319 1.005 20 0 CDADHL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]CC(C)(F)F ZINC001597785284 989303202 /nfs/dbraw/zinc/30/32/02/989303202.db2.gz ZMHOBNIRSJZHHG-UHFFFAOYSA-N -2 3 297.279 1.474 20 0 CDADHL CC(C)CC1([N-]S(=O)(=O)c2occc2C(=O)[O-])CC1 ZINC001591197828 992021836 /nfs/dbraw/zinc/02/18/36/992021836.db2.gz QLBHQZIZZIUTPM-UHFFFAOYSA-N -2 3 287.337 1.835 20 0 CDADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)C1CC1 ZINC001605103873 1163452629 /nfs/dbraw/zinc/45/26/29/1163452629.db2.gz NATWNAAMSQHVDW-SECBINFHSA-N -2 3 287.337 1.753 20 0 CDADHL Cc1cc(C(=O)[O-])nc(NCc2ccc([O-])c(F)c2)n1 ZINC001600128644 1174369135 /nfs/dbraw/zinc/36/91/35/1174369135.db2.gz VYVBNKIXJCAIBC-UHFFFAOYSA-N -2 3 277.255 1.940 20 0 CDADHL Cc1cccc([O-])c1C(=O)NC1(c2nnn[n-]2)CCCC1 ZINC000625709467 342194742 /nfs/dbraw/zinc/19/47/42/342194742.db2.gz SVDLZWIUUOKFRO-UHFFFAOYSA-N -2 3 287.323 1.413 20 0 CDADHL Cc1cccc([O-])c1C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000625709467 342194743 /nfs/dbraw/zinc/19/47/43/342194743.db2.gz SVDLZWIUUOKFRO-UHFFFAOYSA-N -2 3 287.323 1.413 20 0 CDADHL Cc1nc(C)c(S(=O)(=O)[N-]CCCCC(=O)[O-])s1 ZINC000274872983 365837296 /nfs/dbraw/zinc/83/72/96/365837296.db2.gz BCYLANYJDAIGDG-UHFFFAOYSA-N -2 3 292.382 1.293 20 0 CDADHL CC1CC(C[N-]S(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC000622039647 350946626 /nfs/dbraw/zinc/94/66/26/350946626.db2.gz MZGZWPZJJIKQRC-UHFFFAOYSA-N -2 3 290.366 1.166 20 0 CDADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1ccco1)CC(=O)[O-] ZINC000277253389 366369377 /nfs/dbraw/zinc/36/93/77/366369377.db2.gz MAZBBVQAYUSBIT-JTQLQIEISA-N -2 3 289.353 1.695 20 0 CDADHL COc1ccc([O-])c(C(=O)NC(C)(C)CCC(=O)[O-])c1 ZINC000050195627 359620669 /nfs/dbraw/zinc/62/06/69/359620669.db2.gz OTRRMXGTSHDVTD-UHFFFAOYSA-N -2 3 281.308 1.774 20 0 CDADHL Cc1csc(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)c1 ZINC000560480644 359659459 /nfs/dbraw/zinc/65/94/59/359659459.db2.gz BYPMKRUUPNCLQJ-UHFFFAOYSA-N -2 3 289.378 1.590 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]C[C@H](C)C(=O)[O-])sc1Cl ZINC000231806937 360483267 /nfs/dbraw/zinc/48/32/67/360483267.db2.gz SVKORHCINUMMHC-LURJTMIESA-N -2 3 297.785 1.709 20 0 CDADHL CCC[C@@](C)(NC(=O)c1ccc(OC)cc1[O-])C(=O)[O-] ZINC000036337651 361683142 /nfs/dbraw/zinc/68/31/42/361683142.db2.gz SXXFMPYKAOGMQU-CQSZACIVSA-N -2 3 281.308 1.774 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCC2CCCC2)o1 ZINC000037739338 368162662 /nfs/dbraw/zinc/16/26/62/368162662.db2.gz PWSCAZBHZGFWMQ-UHFFFAOYSA-N -2 3 287.337 1.836 20 0 CDADHL C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccco1 ZINC000567298449 370947985 /nfs/dbraw/zinc/94/79/85/370947985.db2.gz XOBFUSFBBRWULI-NXEZZACHSA-N -2 3 289.353 1.837 20 0 CDADHL O=C([O-])CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000036965396 374573116 /nfs/dbraw/zinc/57/31/16/374573116.db2.gz XPCQSDKTRFTPSK-UHFFFAOYSA-N -2 3 298.147 1.746 20 0 CDADHL O=C(C=Cc1nc2ccccc2s1)N=c1ccc([O-])n[n-]1 ZINC000492643671 253263313 /nfs/dbraw/zinc/26/33/13/253263313.db2.gz CNGXDKMTPXJLSH-FPLPWBNLSA-N -2 3 298.327 1.866 20 0 CDADHL Cc1ccc([O-])c(NC(=O)c2cnc3n(C)[n-]cc-3c2=O)n1 ZINC000345378837 391164672 /nfs/dbraw/zinc/16/46/72/391164672.db2.gz GXMBCBBGLBEBON-UHFFFAOYSA-N -2 3 299.290 1.335 20 0 CDADHL Cc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c([O-])c1 ZINC000262830556 131264958 /nfs/dbraw/zinc/26/49/58/131264958.db2.gz RIQJXYKWUJDMLO-WDEREUQCSA-N -2 3 277.320 1.883 20 0 CDADHL CCCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000645939843 393408071 /nfs/dbraw/zinc/40/80/71/393408071.db2.gz JPDDQKQIRUHHDM-UHFFFAOYSA-N -2 3 275.326 1.755 20 0 CDADHL O=C([O-])[C@@H]1CCCN1C(=O)c1c[n-]c2ccccc2c1=O ZINC000037435764 398079384 /nfs/dbraw/zinc/07/93/84/398079384.db2.gz AGWOQKGPQLHHPA-LBPRGKRZSA-N -2 3 286.287 1.217 20 0 CDADHL COc1ccc(Cl)cc1S(=O)(=O)[N-]CCC(=O)[O-] ZINC000011891809 170454965 /nfs/dbraw/zinc/45/49/65/170454965.db2.gz ASGRCZPPJNSDPS-UHFFFAOYSA-N -2 3 293.728 1.102 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@H](C)C2CCC2)oc1C(=O)[O-] ZINC000663422334 412177742 /nfs/dbraw/zinc/17/77/42/412177742.db2.gz JSHZINPCGZCHGC-MRVPVSSYSA-N -2 3 287.337 1.753 20 0 CDADHL CC(C)(C)[C@@H](NC(=O)c1ccccc1[O-])C(=O)[O-] ZINC000035390534 172173598 /nfs/dbraw/zinc/17/35/98/172173598.db2.gz NBPMGQWOUWOXTN-JTQLQIEISA-N -2 3 251.282 1.621 20 0 CDADHL COc1ccc([O-])c(C(=O)NC2(C(=O)[O-])CCCCC2)c1 ZINC000037419295 173197014 /nfs/dbraw/zinc/19/70/14/173197014.db2.gz CQRLHPVBUVCZSD-UHFFFAOYSA-N -2 3 293.319 1.918 20 0 CDADHL CCN(C(=O)CCc1c(C)nc(C)[n-]c1=O)[C@H](C)C(=O)[O-] ZINC000659776623 414103743 /nfs/dbraw/zinc/10/37/43/414103743.db2.gz QLOKAPGXTZHRTC-SECBINFHSA-N -2 3 295.339 1.053 20 0 CDADHL CCN(CCC(=O)[O-])C(=O)c1cc(C)ccc1[O-] ZINC000038023225 174005230 /nfs/dbraw/zinc/00/52/30/174005230.db2.gz OTYATVPGFVTPID-UHFFFAOYSA-N -2 3 251.282 1.637 20 0 CDADHL CC(C)[C@H](CNC(=O)N=c1cc2ccccn2[n-]1)C(=O)[O-] ZINC000653545867 424261378 /nfs/dbraw/zinc/26/13/78/424261378.db2.gz PONCTSZLPQMVES-NSHDSACASA-N -2 3 290.323 1.235 20 0 CDADHL COc1ccc(C(=O)NC[C@H](CC(C)C)C(=O)[O-])c([O-])c1 ZINC000094702732 265248865 /nfs/dbraw/zinc/24/88/65/265248865.db2.gz JSJJIYURYRGVFG-JTQLQIEISA-N -2 3 295.335 1.878 20 0 CDADHL CCC(CC)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000567803289 293872857 /nfs/dbraw/zinc/87/28/57/293872857.db2.gz WUYQINWYMFWSBI-UHFFFAOYSA-N -2 3 261.299 1.445 20 0 CDADHL Cc1onc(N)c1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000569421792 294192126 /nfs/dbraw/zinc/19/21/26/294192126.db2.gz RBBFXMFYWXVFPP-UHFFFAOYSA-N -2 3 287.272 1.041 20 0 CDADHL COc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@@]2(C)C(=O)[O-])c1 ZINC000164604160 483319509 /nfs/dbraw/zinc/31/95/09/483319509.db2.gz SVXNEHSDYYJYBF-IUODEOHRSA-N -2 3 293.319 1.774 20 0 CDADHL CCC(CC)c1cc(C(=O)[N-]c2n[n-]c(OC)n2)on1 ZINC000179368644 535157271 /nfs/dbraw/zinc/15/72/71/535157271.db2.gz BVQKFZQXLGSFAO-UHFFFAOYSA-N -2 3 279.300 1.957 20 0 CDADHL CC(C)[C@@H](NC(=O)[O-])C(=O)NCc1ccc([O-])c(F)c1 ZINC000736371712 575643798 /nfs/dbraw/zinc/64/37/98/575643798.db2.gz VXKYNOHQKFKLGP-LLVKDONJSA-N -2 3 284.287 1.440 20 0 CDADHL O=C([O-])c1coc(C(=O)COC(=O)c2ccc([O-])cc2)c1 ZINC000740256805 576452215 /nfs/dbraw/zinc/45/22/15/576452215.db2.gz BRSIKFSBOFSOPC-UHFFFAOYSA-N -2 3 290.227 1.723 20 0 CDADHL Nc1ccc(C(=O)NCc2cccc(C(=O)[O-])c2)c([O-])c1 ZINC000763021267 576700798 /nfs/dbraw/zinc/70/07/98/576700798.db2.gz UYXHJCIYFYESRJ-UHFFFAOYSA-N -2 3 286.287 1.603 20 0 CDADHL O=C([O-])CCC1(NC(=O)c2cc(=O)[n-]cn2)CCCCC1 ZINC001601974989 1175093309 /nfs/dbraw/zinc/09/33/09/1175093309.db2.gz WWDFYNYUOFNQNP-UHFFFAOYSA-N -2 3 293.323 1.480 20 0 CDADHL O=C([O-])c1ccc(Cl)c(C(=O)[N-]N2CCCNC2=O)c1 ZINC001602356156 1175223113 /nfs/dbraw/zinc/22/31/13/1175223113.db2.gz QDLVUGOPYFLKLG-UHFFFAOYSA-N -2 3 297.698 1.098 20 0 CDADHL O=C([O-])CN1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000833249735 601431516 /nfs/dbraw/zinc/43/15/16/601431516.db2.gz KLJQWRLXCZEMLJ-WDEREUQCSA-N -2 3 255.314 1.426 20 0 CDADHL C[C@H](CN(C)C(=O)c1cc(=O)c2ccccc2[n-]1)C(=O)[O-] ZINC000042696491 625983602 /nfs/dbraw/zinc/98/36/02/625983602.db2.gz QBGCXOJAWCSONS-SECBINFHSA-N -2 3 288.303 1.321 20 0 CDADHL CCN(CC(=O)[O-])C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000908950842 628430693 /nfs/dbraw/zinc/43/06/93/628430693.db2.gz NMZWTAOMBNTRIJ-UHFFFAOYSA-N -2 3 265.265 1.142 20 0 CDADHL CC(C)(CC(=O)[O-])NC(=O)Cc1ccc([O-])c(F)c1 ZINC000909015009 628479539 /nfs/dbraw/zinc/47/95/39/628479539.db2.gz NSYMMJCHCPJXLI-UHFFFAOYSA-N -2 3 269.272 1.443 20 0 CDADHL COc1ccccc1CO[N-]C(=O)C12CC(C(=O)[O-])(C1)C2 ZINC000911804899 629535737 /nfs/dbraw/zinc/53/57/37/629535737.db2.gz HXFZDZIRPPWZHR-UHFFFAOYSA-N -2 3 291.303 1.498 20 0 CDADHL CCc1cccc(C(=O)N2CC(C)(C(=O)[O-])C2)c1[O-] ZINC001605826151 1163680857 /nfs/dbraw/zinc/68/08/57/1163680857.db2.gz WHVFZEMSBXYOSB-UHFFFAOYSA-N -2 3 263.293 1.501 20 0 CDADHL COc1c(F)nccc1[N-]C(=O)c1cc(C(=O)[O-])no1 ZINC001607034531 1164065179 /nfs/dbraw/zinc/06/51/79/1164065179.db2.gz HFMYJDCPEIHTJO-UHFFFAOYSA-N -2 3 281.199 1.168 20 0 CDADHL O=C([O-])[C@@]1(C(=O)Nc2ncccc2[O-])C[C@H]1c1ccccc1 ZINC001608567427 1164550049 /nfs/dbraw/zinc/55/00/49/1164550049.db2.gz UXNOEIMVKVFNRP-ZBEGNZNMSA-N -2 3 298.298 1.984 20 0 CDADHL CC(=O)c1ccc(-c2nnn[n-]2)c(NCCCC(=O)[O-])c1 ZINC001609066160 1164755420 /nfs/dbraw/zinc/75/54/20/1164755420.db2.gz PVXIAWRWZZEXQI-UHFFFAOYSA-N -2 3 289.295 1.346 20 0 CDADHL CC(=O)c1ccc(-c2nn[n-]n2)c(NCCCC(=O)[O-])c1 ZINC001609066160 1164755425 /nfs/dbraw/zinc/75/54/25/1164755425.db2.gz PVXIAWRWZZEXQI-UHFFFAOYSA-N -2 3 289.295 1.346 20 0 CDADHL C[C@@H](CC(=O)[O-])Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000095241487 1166614105 /nfs/dbraw/zinc/61/41/05/1166614105.db2.gz WIGGJOUCUFYUDY-LURJTMIESA-N -2 3 281.703 1.795 20 0 CDADHL C[C@@H](CC(=O)[O-])Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000095241487 1166614108 /nfs/dbraw/zinc/61/41/08/1166614108.db2.gz WIGGJOUCUFYUDY-LURJTMIESA-N -2 3 281.703 1.795 20 0 CDADHL Cc1ccnc(N[C@@H](CC(C)C)C(=O)[O-])c1-c1nnn[n-]1 ZINC001592275717 1173844745 /nfs/dbraw/zinc/84/47/45/1173844745.db2.gz WCESMUYUKYQPKJ-VIFPVBQESA-N -2 3 290.327 1.481 20 0 CDADHL Cc1ccnc(N[C@@H](CC(C)C)C(=O)[O-])c1-c1nn[n-]n1 ZINC001592275717 1173844748 /nfs/dbraw/zinc/84/47/48/1173844748.db2.gz WCESMUYUKYQPKJ-VIFPVBQESA-N -2 3 290.327 1.481 20 0 CDADHL Cc1ccc(CCC(=O)[N-]OCCCC(=O)[O-])cc1 ZINC001600405789 1174464681 /nfs/dbraw/zinc/46/46/81/1174464681.db2.gz SSLTWTTZKQICEL-UHFFFAOYSA-N -2 3 265.309 1.840 20 0 CDADHL Cc1nc2c(c(=O)[n-]1)CN(Cc1cc(C(=O)[O-])co1)C2 ZINC001600717867 1174579834 /nfs/dbraw/zinc/57/98/34/1174579834.db2.gz HVBOJRWZVSWOIX-UHFFFAOYSA-N -2 3 275.264 1.298 20 0 CDADHL O=C([O-])CSCCC(=O)[N-]OCCCC(F)(F)F ZINC001602098711 1175130341 /nfs/dbraw/zinc/13/03/41/1175130341.db2.gz UUCBYTUOGRWJHD-UHFFFAOYSA-N -2 3 289.275 1.585 20 0 CDADHL O=C([O-])[C@@H](OC(=O)c1cccc2nn[n-]c21)c1ccccc1 ZINC001602600406 1175317153 /nfs/dbraw/zinc/31/71/53/1175317153.db2.gz DSZJPVOSHXCDQQ-ZDUSSCGKSA-N -2 3 297.270 1.941 20 0 CDADHL O=C([O-])[C@@H](OC(=O)c1cccc2n[n-]nc21)c1ccccc1 ZINC001602600406 1175317161 /nfs/dbraw/zinc/31/71/61/1175317161.db2.gz DSZJPVOSHXCDQQ-ZDUSSCGKSA-N -2 3 297.270 1.941 20 0 CDADHL CC(C)c1ccc(C(=O)N[C@H]2CCO[C@H]2C(=O)[O-])c([O-])c1 ZINC001603996932 1175712283 /nfs/dbraw/zinc/71/22/83/1175712283.db2.gz NNLZDZJUJRWACZ-WCQYABFASA-N -2 3 293.319 1.488 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]Cc1ccccc1 ZINC001608956209 1164695519 /nfs/dbraw/zinc/69/55/19/1164695519.db2.gz JWYJLPRBDRWQHK-UHFFFAOYSA-N -2 3 281.289 1.456 20 0 CDADHL O=C(OCc1n[nH]c(=O)[n-]1)c1cccc(Cl)c1[O-] ZINC000775929452 757920554 /nfs/dbraw/zinc/92/05/54/757920554.db2.gz KPEBOPPLVHUJLA-UHFFFAOYSA-N -2 3 269.644 1.226 20 0 CDADHL COC(=O)c1ccc([N-]S(=O)(=O)CC2CC2)c([O-])c1 ZINC001188963607 921242754 /nfs/dbraw/zinc/24/27/54/921242754.db2.gz IQMGGTJYTHBVHV-UHFFFAOYSA-N -2 3 285.321 1.331 20 0 CDADHL COc1ccccc1[C@H](C)OCCP(=O)([O-])[O-] ZINC001224603894 909921113 /nfs/dbraw/zinc/92/11/13/909921113.db2.gz CILDJHYJJYVHPF-VIFPVBQESA-N -2 3 260.226 1.951 20 0 CDADHL Nc1ccccc1S(=O)(=O)[N-]c1cncc([O-])c1 ZINC001193893244 923960133 /nfs/dbraw/zinc/96/01/33/923960133.db2.gz ROPTZXPMMGRGCT-UHFFFAOYSA-N -2 3 265.294 1.170 20 0 CDADHL Cc1ccc(F)cc1NC(=S)NCCP(=O)([O-])[O-] ZINC001195925686 924767115 /nfs/dbraw/zinc/76/71/15/924767115.db2.gz GLPFDVCMUBJKHL-UHFFFAOYSA-N -2 3 292.272 1.598 20 0 CDADHL CC1=C(Oc2nc3ncnc-3c([S-])[n-]2)C(=O)O[C@H]1C ZINC001226786349 942071593 /nfs/dbraw/zinc/07/15/93/942071593.db2.gz PWPNZMMSSHABGB-YFKPBYRVSA-N -2 3 278.293 1.240 20 0 CDADHL COc1cccc([C@@H](C)Oc2[n-]c(=O)nc3cn[n-]c32)c1 ZINC001233939711 943696544 /nfs/dbraw/zinc/69/65/44/943696544.db2.gz MWRVWBPGMGUMPT-MRVPVSSYSA-N -2 3 286.291 1.795 20 0 CDADHL CC(=O)c1cccc([N-]S(=O)(=O)CC(C)C)c1[O-] ZINC001259886533 945682607 /nfs/dbraw/zinc/68/26/07/945682607.db2.gz GQCNLJHGWUTVNF-UHFFFAOYSA-N -2 3 271.338 1.993 20 0 CDADHL O=c1cc(CC2CCCC2)[n-]n1-c1cc(=O)[n-]cn1 ZINC001245932457 947853567 /nfs/dbraw/zinc/85/35/67/947853567.db2.gz PHRQKSWUMZXPQL-UHFFFAOYSA-N -2 3 260.297 1.806 20 0 CDADHL COc1cccc(C(=O)Nc2ccc(C(=O)[O-])cn2)c1[O-] ZINC000041114702 948866065 /nfs/dbraw/zinc/86/60/65/948866065.db2.gz NIXRJEPQTFXSQP-UHFFFAOYSA-N -2 3 288.259 1.746 20 0 CDADHL O=C([O-])CCCCC(=O)[N-]OCc1ccccn1 ZINC001595032838 951383265 /nfs/dbraw/zinc/38/32/65/951383265.db2.gz ZPZGYJMMPOJXGP-UHFFFAOYSA-N -2 3 252.270 1.274 20 0 CDADHL COc1cc(C(=O)[N-]c2sccc2C(=O)[O-])on1 ZINC000704755109 954930033 /nfs/dbraw/zinc/93/00/33/954930033.db2.gz MYXCTYRDZYFAHN-UHFFFAOYSA-N -2 3 268.250 1.695 20 0 CDADHL CON(C(=O)CCCc1ccc([O-])c(F)c1)[C@H](C)C(=O)[O-] ZINC001594037693 957831033 /nfs/dbraw/zinc/83/10/33/957831033.db2.gz YZOOELIIQNYUFH-SECBINFHSA-N -2 3 299.298 1.717 20 0 CDADHL O=C([O-])C1(CNC(=O)c2c([O-])cccc2O)CCCCC1 ZINC000232429966 960268803 /nfs/dbraw/zinc/26/88/03/960268803.db2.gz QKUVZRMKPMJBTL-UHFFFAOYSA-N -2 3 293.319 1.863 20 0 CDADHL O=C([O-])C[C@H]([N-]C(=O)C(F)(F)C(F)F)C1CC1 ZINC000236434779 960596425 /nfs/dbraw/zinc/59/64/25/960596425.db2.gz ARGQAUYYIJMSJL-YFKPBYRVSA-N -2 3 257.183 1.256 20 0 CDADHL O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001574345407 960966789 /nfs/dbraw/zinc/96/67/89/960966789.db2.gz LICLDJNQRCVNIM-NKWVEPMBSA-N -2 3 276.252 1.114 20 0 CDADHL CCc1ccc([O-])c(C(=O)Nc2n[nH]cc2C(=O)[O-])c1 ZINC001573957092 961677243 /nfs/dbraw/zinc/67/72/43/961677243.db2.gz WIYACCDHTPWKIO-UHFFFAOYSA-N -2 3 275.264 1.628 20 0 CDADHL O=C([O-])CCCC(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001574697604 962669922 /nfs/dbraw/zinc/66/99/22/962669922.db2.gz UCPPLEGXQCIKRP-UHFFFAOYSA-N -2 3 291.307 1.157 20 0 CDADHL Cc1cc(=O)[n-]c(CNC(=O)c2ccc(Cl)cc2[O-])n1 ZINC001452737630 968172217 /nfs/dbraw/zinc/17/22/17/968172217.db2.gz POBHUMGMKSDNGL-UHFFFAOYSA-N -2 3 293.710 1.780 20 0 CDADHL C[C@H](CC(=O)[O-])CC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001592396734 977962305 /nfs/dbraw/zinc/96/23/05/977962305.db2.gz ZYDNQMODLKABRT-ZETCQYMHSA-N -2 3 277.280 1.708 20 0 CDADHL CCCCOc1ccc(C(=O)N[C@@H](CF)C(=O)[O-])c([O-])c1 ZINC001595776849 982544750 /nfs/dbraw/zinc/54/47/50/982544750.db2.gz IJTFZUPNMWNDCE-NSHDSACASA-N -2 3 299.298 1.724 20 0 CDADHL CCOc1nnc(NC(=O)C=Cc2cc(C(=O)[O-])co2)[n-]1 ZINC001597193987 987083214 /nfs/dbraw/zinc/08/32/14/987083214.db2.gz UOWIRGTXTGBRCS-ARJAWSKDSA-N -2 3 292.251 1.147 20 0 CDADHL CCOc1nc(NC(=O)C=Cc2cc(C(=O)[O-])co2)n[n-]1 ZINC001597193987 987083225 /nfs/dbraw/zinc/08/32/25/987083225.db2.gz UOWIRGTXTGBRCS-ARJAWSKDSA-N -2 3 292.251 1.147 20 0 CDADHL CCOc1n[n-]c(NC(=O)C=Cc2cc(C(=O)[O-])co2)n1 ZINC001597193987 987083233 /nfs/dbraw/zinc/08/32/33/987083233.db2.gz UOWIRGTXTGBRCS-ARJAWSKDSA-N -2 3 292.251 1.147 20 0 CDADHL C[C@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC001593525639 995564282 /nfs/dbraw/zinc/56/42/82/995564282.db2.gz NXUBIXNLABGCCR-QMMMGPOBSA-N -2 3 270.256 1.870 20 0 CDADHL COc1cc(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)cc(OC)c1[O-] ZINC001599354699 998159322 /nfs/dbraw/zinc/15/93/22/998159322.db2.gz PXJZHUYNPGPCNI-KYZUINATSA-N -2 3 295.291 1.002 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CC2)c(F)c1 ZINC000405019324 361856505 /nfs/dbraw/zinc/85/65/05/361856505.db2.gz WAKSEUVDFOYLTM-NSHDSACASA-N -2 3 287.312 1.276 20 0 CDADHL CC(C)(CC(=O)Nc1ccc(-c2nnn[n-]2)cc1)C(=O)[O-] ZINC000095197197 342430902 /nfs/dbraw/zinc/43/09/02/342430902.db2.gz CCHCPJMPWSMZEB-UHFFFAOYSA-N -2 3 289.295 1.306 20 0 CDADHL CC(C)(CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000095197197 342430903 /nfs/dbraw/zinc/43/09/03/342430903.db2.gz CCHCPJMPWSMZEB-UHFFFAOYSA-N -2 3 289.295 1.306 20 0 CDADHL O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ncccc1[O-] ZINC000608353464 345731821 /nfs/dbraw/zinc/73/18/21/345731821.db2.gz MCMOCFBURYRZCV-UHFFFAOYSA-N -2 3 282.263 1.220 20 0 CDADHL O=C(Nc1nc(-c2ccccn2)n[n-]1)c1ncccc1[O-] ZINC000608353464 345731823 /nfs/dbraw/zinc/73/18/23/345731823.db2.gz MCMOCFBURYRZCV-UHFFFAOYSA-N -2 3 282.263 1.220 20 0 CDADHL O=C(Nc1n[n-]c(-c2ccccn2)n1)c1ncccc1[O-] ZINC000608353464 345731825 /nfs/dbraw/zinc/73/18/25/345731825.db2.gz MCMOCFBURYRZCV-UHFFFAOYSA-N -2 3 282.263 1.220 20 0 CDADHL CC[C@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1F)C(=O)[O-] ZINC000274994405 365883657 /nfs/dbraw/zinc/88/36/57/365883657.db2.gz ZPMRPUIRWXLTIP-VIFPVBQESA-N -2 3 293.291 1.415 20 0 CDADHL CC1CC(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC000622039537 350946498 /nfs/dbraw/zinc/94/64/98/350946498.db2.gz IQVNQEVDHUOLJJ-UHFFFAOYSA-N -2 3 289.378 1.771 20 0 CDADHL CC(C)(C)[C@H](C[N-]S(=O)(=O)c1ccco1)CC(=O)[O-] ZINC000277357941 366422089 /nfs/dbraw/zinc/42/20/89/366422089.db2.gz YDBATHLJWLIBTH-VIFPVBQESA-N -2 3 289.353 1.695 20 0 CDADHL O=C([O-])[C@H]1CCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000263146941 359235767 /nfs/dbraw/zinc/23/57/67/359235767.db2.gz ARJQFIDTRBHAMB-VIFPVBQESA-N -2 3 282.271 1.147 20 0 CDADHL Cc1ccc(NC(=O)[C@@H](C)O[C@@H](C)C(=O)[O-])c([O-])c1 ZINC000421804168 359433623 /nfs/dbraw/zinc/43/36/23/359433623.db2.gz JHNMGULMMYHRFY-BDAKNGLRSA-N -2 3 267.281 1.517 20 0 CDADHL CC[C@H](C)CO[N-]C(=O)C(=O)c1ccc([O-])cc1 ZINC000293646474 370728966 /nfs/dbraw/zinc/72/89/66/370728966.db2.gz GPJHOKIIWHHECK-VIFPVBQESA-N -2 3 251.282 1.669 20 0 CDADHL CC(C)[C@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000034972487 364385709 /nfs/dbraw/zinc/38/57/09/364385709.db2.gz VBBAVHSATORJJL-ZETCQYMHSA-N -2 3 261.299 1.301 20 0 CDADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(Cl)s2)CCC1 ZINC000164939814 364843777 /nfs/dbraw/zinc/84/37/77/364843777.db2.gz IDHLHGUTZAPDOJ-UHFFFAOYSA-N -2 3 295.769 1.687 20 0 CDADHL COCCS(=O)(=O)[N-]c1cc([O-])c(F)cc1F ZINC000414391997 241182180 /nfs/dbraw/zinc/18/21/80/241182180.db2.gz FAAJGHUZMAOXRW-UHFFFAOYSA-N -2 3 267.253 1.059 20 0 CDADHL CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000575806447 317017748 /nfs/dbraw/zinc/01/77/48/317017748.db2.gz WIUUEHUKYVVRKV-ZJUUUORDSA-N -2 3 267.256 1.827 20 0 CDADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)C1CC1 ZINC000294087083 370937300 /nfs/dbraw/zinc/93/73/00/370937300.db2.gz ATPSHHGWFSRCKC-UHFFFAOYSA-N -2 3 271.294 1.083 20 0 CDADHL CCC(CC)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000564922895 370298365 /nfs/dbraw/zinc/29/83/65/370298365.db2.gz HULRILDMXRDXKY-UHFFFAOYSA-N -2 3 278.355 1.308 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]C2(C)CCCC2)cc1C(=O)[O-] ZINC000566178728 370635978 /nfs/dbraw/zinc/63/59/78/370635978.db2.gz IAFKWYZTQKZUIW-UHFFFAOYSA-N -2 3 287.337 1.897 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@H](CC(C)(C)C)C(=O)[O-])o1 ZINC000567809839 371153232 /nfs/dbraw/zinc/15/32/32/371153232.db2.gz CHBLRZUVKVHJAD-SECBINFHSA-N -2 3 289.353 1.756 20 0 CDADHL COc1ccc(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)c([O-])c1 ZINC000035390194 371334815 /nfs/dbraw/zinc/33/48/15/371334815.db2.gz JHKPBIYMTQQWBH-LLVKDONJSA-N -2 3 281.308 1.630 20 0 CDADHL COc1ccccc1[C@@H]1C[C@H]1C(=O)N=c1ccc([O-])n[n-]1 ZINC000575152601 371762692 /nfs/dbraw/zinc/76/26/92/371762692.db2.gz JRMHSJSYBSZTNT-WDEREUQCSA-N -2 3 285.303 1.355 20 0 CDADHL Cc1ccc(C(=O)NC[C@H](CC(=O)[O-])C2CC2)c([O-])c1 ZINC000659209657 412970443 /nfs/dbraw/zinc/97/04/43/412970443.db2.gz OVGGTYXWKKLKNX-NSHDSACASA-N -2 3 277.320 1.931 20 0 CDADHL CC[C@H](CS(=O)(=O)[N-]c1ccccc1[O-])OC ZINC000421142986 391824361 /nfs/dbraw/zinc/82/43/61/391824361.db2.gz SILQAYIAEFIBJB-SECBINFHSA-N -2 3 259.327 1.559 20 0 CDADHL CCC[C@@H](C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000645941116 393411768 /nfs/dbraw/zinc/41/17/68/393411768.db2.gz KLYUOAGSXPXFFD-ZCFIWIBFSA-N -2 3 278.355 1.308 20 0 CDADHL Cc1ccc([C@H](C)[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)o1 ZINC000037025637 398054992 /nfs/dbraw/zinc/05/49/92/398054992.db2.gz DPXQRSCRSPKFSG-QMMMGPOBSA-N -2 3 299.304 1.919 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccco2)c(F)c1 ZINC000092114007 147000185 /nfs/dbraw/zinc/00/01/85/147000185.db2.gz UGKVJVVTPNSQRB-UHFFFAOYSA-N -2 3 299.279 1.595 20 0 CDADHL O=C(Nc1nnn[n-]1)c1cc([O-])ccc1C(F)(F)F ZINC000356119651 157361528 /nfs/dbraw/zinc/36/15/28/157361528.db2.gz SNDLURMHAAEPOC-UHFFFAOYSA-N -2 3 273.174 1.176 20 0 CDADHL O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1cccs1 ZINC000285277002 196239397 /nfs/dbraw/zinc/23/93/97/196239397.db2.gz WJNICWPDVZJMHD-QMMMGPOBSA-N -2 3 275.351 1.280 20 0 CDADHL CO[C@](C)(C(=O)[O-])C(=O)Nc1ccc(C)cc1[O-] ZINC000663039862 413848499 /nfs/dbraw/zinc/84/84/99/413848499.db2.gz XRAFSZZFWBCRIK-LBPRGKRZSA-N -2 3 253.254 1.129 20 0 CDADHL O=C([O-])CC[C@H](NC(=O)c1c[n-]nn1)c1ccccc1 ZINC000071215096 176085997 /nfs/dbraw/zinc/08/59/97/176085997.db2.gz GBCYMQXPMOXYGN-JTQLQIEISA-N -2 3 274.280 1.141 20 0 CDADHL O=C([O-])CC[C@H](NC(=O)c1cn[n-]n1)c1ccccc1 ZINC000071215096 176085998 /nfs/dbraw/zinc/08/59/98/176085998.db2.gz GBCYMQXPMOXYGN-JTQLQIEISA-N -2 3 274.280 1.141 20 0 CDADHL O=C([O-])CC[C@H](NC(=O)c1cnn[n-]1)c1ccccc1 ZINC000071215096 176085999 /nfs/dbraw/zinc/08/59/99/176085999.db2.gz GBCYMQXPMOXYGN-JTQLQIEISA-N -2 3 274.280 1.141 20 0 CDADHL CC(C)[C@H](CNc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC001589457329 1173146993 /nfs/dbraw/zinc/14/69/93/1173146993.db2.gz TVCSIHUNCIEINR-NSHDSACASA-N -2 3 275.312 1.635 20 0 CDADHL CC[C@H](CNc1ccc(C)c(-c2nnn[n-]2)n1)C(=O)[O-] ZINC001590447076 1173412253 /nfs/dbraw/zinc/41/22/53/1173412253.db2.gz XSOSHAXYLRQSFI-MRVPVSSYSA-N -2 3 276.300 1.093 20 0 CDADHL CC(C)OCCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000383337563 323664794 /nfs/dbraw/zinc/66/47/94/323664794.db2.gz XACCVZIHNMRMSE-UHFFFAOYSA-N -2 3 291.325 1.071 20 0 CDADHL CCc1ncc(S(=O)(=O)[N-][C@@H](C)[C@@H](C)C(=O)[O-])s1 ZINC000579561488 324216175 /nfs/dbraw/zinc/21/61/75/324216175.db2.gz QEBTZYGIUPOLFR-RQJHMYQMSA-N -2 3 292.382 1.093 20 0 CDADHL COc1ccc([O-])c(C(=O)NC[C@H](C(=O)[O-])C(C)C)c1 ZINC000087476755 482856693 /nfs/dbraw/zinc/85/66/93/482856693.db2.gz WIFKNNSPSBWXAW-NSHDSACASA-N -2 3 281.308 1.487 20 0 CDADHL COc1cnc2ccccc2c1C(=O)N=c1ccc([O-])n[n-]1 ZINC000338458923 524911912 /nfs/dbraw/zinc/91/19/12/524911912.db2.gz UKGSVKNEMJWTFN-UHFFFAOYSA-N -2 3 296.286 1.413 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]CC(=O)[O-])c(Cl)cc1F ZINC000340459571 525407247 /nfs/dbraw/zinc/40/72/47/525407247.db2.gz KCOFGQURPAOEII-UHFFFAOYSA-N -2 3 281.692 1.150 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc[nH]2)oc1C(=O)[O-] ZINC001600298285 1174439977 /nfs/dbraw/zinc/43/99/77/1174439977.db2.gz ZGWWCVGZUPTGSD-QMMMGPOBSA-N -2 3 298.320 1.654 20 0 CDADHL CC[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000087497728 538173335 /nfs/dbraw/zinc/17/33/35/538173335.db2.gz WIZPHOKCRNDMAT-LURJTMIESA-N -2 3 297.785 1.791 20 0 CDADHL Cc1ccc(NC(=O)CCSCC(=O)[O-])c([O-])c1 ZINC000738622658 574923199 /nfs/dbraw/zinc/92/31/99/574923199.db2.gz ZNTQJIUMUHXNHX-UHFFFAOYSA-N -2 3 269.322 1.847 20 0 CDADHL C[C@@H](CN(C(=O)c1ccccc1[O-])C1CC1)C(=O)[O-] ZINC000736571789 575693157 /nfs/dbraw/zinc/69/31/57/575693157.db2.gz UWPJFQQJPZNBPQ-VIFPVBQESA-N -2 3 263.293 1.718 20 0 CDADHL Cc1ccoc1C(=O)[N-]c1nnc(CCC(=O)[O-])s1 ZINC000738799377 576115320 /nfs/dbraw/zinc/11/53/20/576115320.db2.gz BJEUOZCFUQJWTE-UHFFFAOYSA-N -2 3 281.293 1.709 20 0 CDADHL CSc1nnc(NC(=O)c2ccc([O-])c(F)c2)[n-]1 ZINC000767922149 576238859 /nfs/dbraw/zinc/23/88/59/576238859.db2.gz FXYKJIBHYALBRZ-UHFFFAOYSA-N -2 3 268.273 1.624 20 0 CDADHL CSc1n[n-]c(NC(=O)c2ccc([O-])c(F)c2)n1 ZINC000767922149 576238862 /nfs/dbraw/zinc/23/88/62/576238862.db2.gz FXYKJIBHYALBRZ-UHFFFAOYSA-N -2 3 268.273 1.624 20 0 CDADHL CSc1nc(NC(=O)c2ccc([O-])c(F)c2)n[n-]1 ZINC000767922149 576238865 /nfs/dbraw/zinc/23/88/65/576238865.db2.gz FXYKJIBHYALBRZ-UHFFFAOYSA-N -2 3 268.273 1.624 20 0 CDADHL O=C([O-])c1cccc(C(=O)OCc2cc(=O)c([O-])co2)c1 ZINC000740221621 576444305 /nfs/dbraw/zinc/44/43/05/576444305.db2.gz WGUAKULBPYYIJR-UHFFFAOYSA-N -2 3 290.227 1.401 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]Cc1ccccc1F ZINC001602488762 1175261508 /nfs/dbraw/zinc/26/15/08/1175261508.db2.gz STNKWFHEJZVFMS-UHFFFAOYSA-N -2 3 299.279 1.595 20 0 CDADHL CC(C)(CCC(=O)[O-])C(=O)[N-]O[C@H]1CCCCO1 ZINC000911801222 629529983 /nfs/dbraw/zinc/52/99/83/629529983.db2.gz UVCGECYYRSPTEK-JTQLQIEISA-N -2 3 259.302 1.452 20 0 CDADHL CC(C)OCCS(=O)(=O)[N-]c1ccsc1C(=O)[O-] ZINC000093665230 600831123 /nfs/dbraw/zinc/83/11/23/600831123.db2.gz BJHALPUBYKHGMV-UHFFFAOYSA-N -2 3 293.366 1.613 20 0 CDADHL CCc1ccc([O-])c(C(=O)N2C[C@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000830253640 601801519 /nfs/dbraw/zinc/80/15/19/601801519.db2.gz JIBIRNFKZAKVMQ-CABZTGNLSA-N -2 3 277.320 1.747 20 0 CDADHL C[C@@H](OC(=O)c1cc(F)cc(Cl)c1[O-])C(=O)[O-] ZINC000820177989 618515645 /nfs/dbraw/zinc/51/56/45/618515645.db2.gz WTOWMBQYARZOGQ-SCSAIBSYSA-N -2 3 262.620 1.815 20 0 CDADHL C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)[C@@H](C)C(=O)[O-] ZINC000909650205 620545280 /nfs/dbraw/zinc/54/52/80/620545280.db2.gz UNGSQJQCNIREAL-HTQZYQBOSA-N -2 3 269.272 1.299 20 0 CDADHL O=C([O-])CC1(NC(=O)Cc2ccc([O-])c(F)c2)CCC1 ZINC000909060797 628499457 /nfs/dbraw/zinc/49/94/57/628499457.db2.gz RTJWAPCHLXXYGP-UHFFFAOYSA-N -2 3 281.283 1.587 20 0 CDADHL Cc1cc(NCCC(C)(C)C(=O)[O-])cc(-c2nnn[n-]2)n1 ZINC001605731354 1163653359 /nfs/dbraw/zinc/65/33/59/1163653359.db2.gz WDQMDBBSHZWJIC-UHFFFAOYSA-N -2 3 290.327 1.483 20 0 CDADHL O=C([O-])[C@@H]1CCC[C@H]1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC001608410287 1164511793 /nfs/dbraw/zinc/51/17/93/1164511793.db2.gz QZNAAIGANXMIRS-VXNVDRBHSA-N -2 3 293.275 1.104 20 0 CDADHL Cc1ccc(C(=O)Nc2cc(C(=O)[O-])n[nH]2)c([O-])c1C ZINC001574356560 1170957422 /nfs/dbraw/zinc/95/74/22/1170957422.db2.gz AJHBHDBVSQGXHT-UHFFFAOYSA-N -2 3 275.264 1.683 20 0 CDADHL CC(C)Cn1[n-]c(-c2cccc(-c3nn[n-]n3)c2)cc1=O ZINC001589633175 1173163745 /nfs/dbraw/zinc/16/37/45/1173163745.db2.gz NYXUMOOZASQAGD-UHFFFAOYSA-N -2 3 284.323 1.459 20 0 CDADHL C[C@H](CNc1c(Cl)cccc1-c1nnn[n-]1)C(=O)[O-] ZINC001589876177 1173193839 /nfs/dbraw/zinc/19/38/39/1173193839.db2.gz PRTYITCXZUTRAZ-ZCFIWIBFSA-N -2 3 281.703 1.653 20 0 CDADHL C[C@H](CNc1c(Cl)cccc1-c1nn[n-]n1)C(=O)[O-] ZINC001589876177 1173193846 /nfs/dbraw/zinc/19/38/46/1173193846.db2.gz PRTYITCXZUTRAZ-ZCFIWIBFSA-N -2 3 281.703 1.653 20 0 CDADHL O=C([N-]Cc1ccc(-c2nnn[n-]2)c(F)c1)C(F)(F)F ZINC001593129630 1174022755 /nfs/dbraw/zinc/02/27/55/1174022755.db2.gz MKXXFQBDFSRWDF-UHFFFAOYSA-N -2 3 289.192 1.184 20 0 CDADHL O=C([N-]Cc1ccc(-c2nn[n-]n2)c(F)c1)C(F)(F)F ZINC001593129630 1174022759 /nfs/dbraw/zinc/02/27/59/1174022759.db2.gz MKXXFQBDFSRWDF-UHFFFAOYSA-N -2 3 289.192 1.184 20 0 CDADHL O=C([O-])[C@@H](CNc1cnccc1-c1nnn[n-]1)C1CCC1 ZINC001593277089 1174046325 /nfs/dbraw/zinc/04/63/25/1174046325.db2.gz YROGLIMGNNAEHA-JTQLQIEISA-N -2 3 288.311 1.175 20 0 CDADHL O=C([O-])[C@@H](CNc1cnccc1-c1nn[n-]n1)C1CCC1 ZINC001593277089 1174046332 /nfs/dbraw/zinc/04/63/32/1174046332.db2.gz YROGLIMGNNAEHA-JTQLQIEISA-N -2 3 288.311 1.175 20 0 CDADHL O=C([O-])c1ccc(CNc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001593283479 1174048776 /nfs/dbraw/zinc/04/87/76/1174048776.db2.gz SOSVEBRVTFDYOY-UHFFFAOYSA-N -2 3 296.290 1.572 20 0 CDADHL O=C([O-])c1ccc(CNc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001593283479 1174048779 /nfs/dbraw/zinc/04/87/79/1174048779.db2.gz SOSVEBRVTFDYOY-UHFFFAOYSA-N -2 3 296.290 1.572 20 0 CDADHL Cc1cc(=O)[n-]c(N2CCc3cccc(C(=O)[O-])c3C2)n1 ZINC001600286455 1174439327 /nfs/dbraw/zinc/43/93/27/1174439327.db2.gz ZRVYFVNOKKIQDB-UHFFFAOYSA-N -2 3 285.303 1.752 20 0 CDADHL Cc1cc(=O)[n-]c(N2CCC(CCC(=O)[O-])CC2)n1 ZINC001600285793 1174439512 /nfs/dbraw/zinc/43/95/12/1174439512.db2.gz QPCBFXZAVHXAEC-UHFFFAOYSA-N -2 3 265.313 1.572 20 0 CDADHL Cc1ccc(-c2nc(NC(=O)[C@H]3C[C@@H](C(=O)[O-])C3)n[n-]2)o1 ZINC001600320327 1174442616 /nfs/dbraw/zinc/44/26/16/1174442616.db2.gz USKDYRASPGIDFP-OCAPTIKFSA-N -2 3 290.279 1.422 20 0 CDADHL O=C([O-])C1CN(c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000095141549 1174496869 /nfs/dbraw/zinc/49/68/69/1174496869.db2.gz MZEDTOQATUQDMN-UHFFFAOYSA-N -2 3 279.687 1.041 20 0 CDADHL O=C([O-])C1CN(c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000095141549 1174496875 /nfs/dbraw/zinc/49/68/75/1174496875.db2.gz MZEDTOQATUQDMN-UHFFFAOYSA-N -2 3 279.687 1.041 20 0 CDADHL O=C([O-])CC1(NC(=O)c2cc(=O)[n-]cn2)CCCCC1 ZINC001601929847 1175069806 /nfs/dbraw/zinc/06/98/06/1175069806.db2.gz JARWVDNCGFFMKT-UHFFFAOYSA-N -2 3 279.296 1.090 20 0 CDADHL O=C([O-])c1ccoc1CSc1nc2nncc-2c(O)[n-]1 ZINC001602487448 1175259513 /nfs/dbraw/zinc/25/95/13/1175259513.db2.gz OBSOTWTVOHWFPW-UHFFFAOYSA-N -2 3 292.276 1.642 20 0 CDADHL CSc1ccc([O-])c(C(=O)NC[C@H](F)C(=O)[O-])c1 ZINC001607409749 1164171143 /nfs/dbraw/zinc/17/11/43/1164171143.db2.gz FNPYRMRVBOUGKX-QMMMGPOBSA-N -2 3 273.285 1.267 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)CC[C@H]1CCCCO1 ZINC001608715942 1164617998 /nfs/dbraw/zinc/61/79/98/1164617998.db2.gz MXRIEWBNMSWHBF-SNVBAGLBSA-N -2 3 259.302 1.248 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2C=CCC2)o1 ZINC000711699288 772750219 /nfs/dbraw/zinc/75/02/19/772750219.db2.gz VULAVWLNMMCOFO-MRVPVSSYSA-N -2 3 271.294 1.222 20 0 CDADHL COc1cc(Nc2cnc[n-]c2=O)ccc1C(=O)[O-] ZINC001174684565 913287262 /nfs/dbraw/zinc/28/72/62/913287262.db2.gz UTJQHIOMNVPXEO-UHFFFAOYSA-N -2 3 261.237 1.633 20 0 CDADHL CC(C)n1nccc1C(=O)NCCCCP(=O)([O-])[O-] ZINC001189373704 921447331 /nfs/dbraw/zinc/44/73/31/921447331.db2.gz JITMRSIRAZHUIJ-UHFFFAOYSA-N -2 3 289.272 1.152 20 0 CDADHL C[C@H](OCCCCP(=O)([O-])[O-])c1cnccn1 ZINC001225018630 911596324 /nfs/dbraw/zinc/59/63/24/911596324.db2.gz CWEYNACSBWLOJY-VIFPVBQESA-N -2 3 260.230 1.512 20 0 CDADHL CO[C@@]1(C(=O)[O-])CCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000703730337 922797993 /nfs/dbraw/zinc/79/79/93/922797993.db2.gz WAPLXWHACWCZND-ZDUSSCGKSA-N -2 3 299.710 1.361 20 0 CDADHL O=C(NCCP(=O)([O-])[O-])Oc1ccc(F)cc1 ZINC001195055613 924445561 /nfs/dbraw/zinc/44/55/61/924445561.db2.gz SQTFDOJGDZSPJV-UHFFFAOYSA-N -2 3 263.161 1.092 20 0 CDADHL Nc1ccc(S(=O)(=O)[N-]c2cncc([O-])c2)cc1Cl ZINC001201635708 926349701 /nfs/dbraw/zinc/34/97/01/926349701.db2.gz GXLIMOQMFPWIJS-UHFFFAOYSA-N -2 3 299.739 1.824 20 0 CDADHL Cc1ccc(NCc2cc(=O)[n-]o2)cc1-c1nnn[n-]1 ZINC001169491467 928134325 /nfs/dbraw/zinc/13/43/25/928134325.db2.gz RXVYQQHXMSOJPR-UHFFFAOYSA-N -2 3 272.268 1.481 20 0 CDADHL Cc1ccc(NCc2cc(=O)[n-]o2)cc1-c1nn[n-]n1 ZINC001169491467 928134331 /nfs/dbraw/zinc/13/43/31/928134331.db2.gz RXVYQQHXMSOJPR-UHFFFAOYSA-N -2 3 272.268 1.481 20 0 CDADHL COC(=O)c1ccc([C@@H](C)OCCP(=O)([O-])[O-])cc1 ZINC001224607106 941775229 /nfs/dbraw/zinc/77/52/29/941775229.db2.gz TWOIZFGAZCFEFG-SECBINFHSA-N -2 3 288.236 1.729 20 0 CDADHL CC1=C(OCCCCP(=O)([O-])[O-])C(=O)O[C@@H]1C ZINC001225018731 941815284 /nfs/dbraw/zinc/81/52/84/941815284.db2.gz GPXDKZYWKBNMJW-MRVPVSSYSA-N -2 3 264.214 1.180 20 0 CDADHL O=C1CCC(Oc2nc3ncnc-3c([S-])[n-]2)CC1 ZINC001226781271 942069735 /nfs/dbraw/zinc/06/97/35/942069735.db2.gz ZKVBWBWNFQIQLE-UHFFFAOYSA-N -2 3 264.310 1.532 20 0 CDADHL CC(C)C1CCC(Oc2nc(=O)[n-]c(=O)[n-]2)CC1 ZINC001227571492 942190191 /nfs/dbraw/zinc/19/01/91/942190191.db2.gz UWUZZRQXZWBFDP-UHFFFAOYSA-N -2 3 253.302 1.876 20 0 CDADHL COc1cccc2c1[C@@H](Oc1nc(=O)[n-]c(=O)[n-]1)CCO2 ZINC001227571600 942191127 /nfs/dbraw/zinc/19/11/27/942191127.db2.gz WWZMJTVXJNBFQL-VIFPVBQESA-N -2 3 291.263 1.194 20 0 CDADHL C[C@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1cccc(N(C)C)c1 ZINC001233939800 943697257 /nfs/dbraw/zinc/69/72/57/943697257.db2.gz OJUMRKMPZYSVDV-VIFPVBQESA-N -2 3 299.334 1.852 20 0 CDADHL O=C([O-])Cc1ccccc1NC([O-])=NO[C@H]1CCCCO1 ZINC001611513850 971090194 /nfs/dbraw/zinc/09/01/94/971090194.db2.gz CAVYJFYKVHIRIJ-ZDUSSCGKSA-N -2 3 294.307 1.893 20 0 CDADHL O=C([O-])Cc1ccccc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC001611513850 971090199 /nfs/dbraw/zinc/09/01/99/971090199.db2.gz CAVYJFYKVHIRIJ-ZDUSSCGKSA-N -2 3 294.307 1.893 20 0 CDADHL O=C([N-]OCc1ccccn1)c1cc(=O)[n-]c(C2CC2)n1 ZINC001262177204 946493741 /nfs/dbraw/zinc/49/37/41/946493741.db2.gz OGYVJFBACCDXTJ-UHFFFAOYSA-N -2 3 286.291 1.316 20 0 CDADHL C[C@@]1(C(=O)[O-])CCN(Cc2c(F)ccc([O-])c2F)C1 ZINC001589199129 956628416 /nfs/dbraw/zinc/62/84/16/956628416.db2.gz SIDKGBDUVYBPGV-CYBMUJFWSA-N -2 3 271.263 1.967 20 0 CDADHL C[C@@H](N=c1cc(-c2ccccc2)n2[n-]cnc2n1)C(=O)[O-] ZINC001594208879 959282318 /nfs/dbraw/zinc/28/23/18/959282318.db2.gz XOPYNZHNEUZHAR-SECBINFHSA-N -2 3 283.291 1.098 20 0 CDADHL Cc1nc[n-]c(=O)c1CCC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC001594468691 959529730 /nfs/dbraw/zinc/52/97/30/959529730.db2.gz XLOVCXBLPKFKPQ-LLVKDONJSA-N -2 3 295.339 1.039 20 0 CDADHL Cc1ccc(C(=O)N2CCSC[C@@H]2C(=O)[O-])c([O-])c1 ZINC000214795867 959741397 /nfs/dbraw/zinc/74/13/97/959741397.db2.gz NDRKKLVXOHINHB-SNVBAGLBSA-N -2 3 281.333 1.343 20 0 CDADHL CCOc1nnc(NC(=O)c2cc(C)c(C(=O)[O-])o2)[n-]1 ZINC001571013727 963302383 /nfs/dbraw/zinc/30/23/83/963302383.db2.gz OTWHJIQXNXIBDG-UHFFFAOYSA-N -2 3 280.240 1.055 20 0 CDADHL CCOc1nc(NC(=O)c2cc(C)c(C(=O)[O-])o2)n[n-]1 ZINC001571013727 963302396 /nfs/dbraw/zinc/30/23/96/963302396.db2.gz OTWHJIQXNXIBDG-UHFFFAOYSA-N -2 3 280.240 1.055 20 0 CDADHL CCOc1n[n-]c(NC(=O)c2cc(C)c(C(=O)[O-])o2)n1 ZINC001571013727 963302403 /nfs/dbraw/zinc/30/24/03/963302403.db2.gz OTWHJIQXNXIBDG-UHFFFAOYSA-N -2 3 280.240 1.055 20 0 CDADHL C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)CCC(=O)[O-])cn1 ZINC001592180738 977096905 /nfs/dbraw/zinc/09/69/05/977096905.db2.gz FGQSKJYLFYDCDE-QMMMGPOBSA-N -2 3 287.341 1.071 20 0 CDADHL CCc1oc(C(=O)[O-])cc1CSCCc1nnn[n-]1 ZINC001597772102 989233877 /nfs/dbraw/zinc/23/38/77/989233877.db2.gz GQIMUKFKRPWSCM-UHFFFAOYSA-N -2 3 282.325 1.529 20 0 CDADHL CCc1oc(C(=O)[O-])cc1CSCCc1nn[n-]n1 ZINC001597772102 989233884 /nfs/dbraw/zinc/23/38/84/989233884.db2.gz GQIMUKFKRPWSCM-UHFFFAOYSA-N -2 3 282.325 1.529 20 0 CDADHL Cc1c(Cl)cnc(N[C@H](C)CC(=O)[O-])c1-c1nnn[n-]1 ZINC001605492373 1163584951 /nfs/dbraw/zinc/58/49/51/1163584951.db2.gz PDDJROLLBWLPFO-RXMQYKEDSA-N -2 3 296.718 1.499 20 0 CDADHL Cc1c(Cl)cnc(N[C@H](C)CC(=O)[O-])c1-c1nn[n-]n1 ZINC001605492373 1163584955 /nfs/dbraw/zinc/58/49/55/1163584955.db2.gz PDDJROLLBWLPFO-RXMQYKEDSA-N -2 3 296.718 1.499 20 0 CDADHL CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001573671781 1170726621 /nfs/dbraw/zinc/72/66/21/1170726621.db2.gz DZRHHAGDYMXTNW-RNFRBKRXSA-N -2 3 289.357 1.129 20 0 CDADHL C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)[C@H](C)C(=O)[O-] ZINC000133165941 342069821 /nfs/dbraw/zinc/06/98/21/342069821.db2.gz ZSNLUSWYMFWSER-NTSWFWBYSA-N -2 3 297.785 1.789 20 0 CDADHL O=C(N=c1ccc([O-])n[n-]1)C1[C@H]2CCCCCC[C@H]12 ZINC000622847534 342261262 /nfs/dbraw/zinc/26/12/62/342261262.db2.gz YYVVPJPKZCVOGQ-UWVGGRQHSA-N -2 3 261.325 1.759 20 0 CDADHL COc1ccc(C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC000566235791 370654945 /nfs/dbraw/zinc/65/49/45/370654945.db2.gz SXCMNCJUDYMZHN-SKDRFNHKSA-N -2 3 293.319 1.584 20 0 CDADHL O=C([O-])[C@H]1C=C[C@H]([N-]S(=O)(=O)c2cccs2)C1 ZINC000092182138 180339080 /nfs/dbraw/zinc/33/90/80/180339080.db2.gz ITIZDNJCHUOXDK-YUMQZZPRSA-N -2 3 273.335 1.056 20 0 CDADHL CSc1nc([N-]C(=O)c2cc(C(C)C)no2)n[n-]1 ZINC000265084603 363230335 /nfs/dbraw/zinc/23/03/35/363230335.db2.gz YSTRSABWSRAMSS-UHFFFAOYSA-N -2 3 267.314 1.890 20 0 CDADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]CC(C)(F)F ZINC000569450470 358480803 /nfs/dbraw/zinc/48/08/03/358480803.db2.gz CBIFEIVPXRGBHK-UHFFFAOYSA-N -2 3 283.252 1.220 20 0 CDADHL Cc1cccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)c1[O-] ZINC000019423487 356484609 /nfs/dbraw/zinc/48/46/09/356484609.db2.gz SCYIFSIUXXFECH-JTQLQIEISA-N -2 3 263.293 1.637 20 0 CDADHL CCC[C@H](CNC(=O)c1ccc(C)cc1[O-])C(=O)[O-] ZINC000087488166 358344217 /nfs/dbraw/zinc/34/42/17/358344217.db2.gz KPQCDYVUYUHKAF-SNVBAGLBSA-N -2 3 265.309 1.931 20 0 CDADHL Cc1cccc([O-])c1[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000063156141 358812504 /nfs/dbraw/zinc/81/25/04/358812504.db2.gz XOYOFMKVXMCXGV-JTQLQIEISA-N -2 3 271.338 1.621 20 0 CDADHL CCc1ccc([O-])c(C(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC000263442281 359282283 /nfs/dbraw/zinc/28/22/83/359282283.db2.gz QAMGEXTYBKMGST-LLVKDONJSA-N -2 3 263.293 1.644 20 0 CDADHL O=C([O-])c1cccc(CNc2ncccc2-c2nnn[n-]2)c1 ZINC000521398456 359969356 /nfs/dbraw/zinc/96/93/56/359969356.db2.gz HMZYFUBTJODQOZ-UHFFFAOYSA-N -2 3 296.290 1.572 20 0 CDADHL O=C([O-])c1cccc(CNc2ncccc2-c2nn[n-]n2)c1 ZINC000521398456 359969362 /nfs/dbraw/zinc/96/93/62/359969362.db2.gz HMZYFUBTJODQOZ-UHFFFAOYSA-N -2 3 296.290 1.572 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]C[C@@H](CC(C)C)C(=O)[O-])o1 ZINC000424393069 360036524 /nfs/dbraw/zinc/03/65/24/360036524.db2.gz QRNMREWZBXGECZ-SNVBAGLBSA-N -2 3 289.353 1.613 20 0 CDADHL CCCc1nc(=NC(=O)[N-]c2cn(C)nc2OC)s[n-]1 ZINC000350872975 361311319 /nfs/dbraw/zinc/31/13/19/361311319.db2.gz ZDJQURUPPDJYGV-UHFFFAOYSA-N -2 3 296.356 1.299 20 0 CDADHL O=c1cc(/C=C\c2cc([O-])cc(F)c2)nc2nc[n-]n21 ZINC000436925594 361609928 /nfs/dbraw/zinc/60/99/28/361609928.db2.gz CIGFPDUBPPZGFG-UPHRSURJSA-N -2 3 272.239 1.433 20 0 CDADHL COc1cccc(NC(=O)C(=O)c2ccc([O-])cc2)c1[O-] ZINC000437001493 361636750 /nfs/dbraw/zinc/63/67/50/361636750.db2.gz PMZTYPRPASHEFS-UHFFFAOYSA-N -2 3 287.271 1.928 20 0 CDADHL O=C([O-])[C@H]1CSCCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000565252423 364024910 /nfs/dbraw/zinc/02/49/10/364024910.db2.gz BKBGFUNFDAWQBA-SNVBAGLBSA-N -2 3 295.364 1.062 20 0 CDADHL COc1ccc([O-])c(C(=O)N2C3CCC2(C(=O)[O-])CC3)c1 ZINC000630323111 368724208 /nfs/dbraw/zinc/72/42/08/368724208.db2.gz AOXIXKCURUMVEM-UHFFFAOYSA-N -2 3 291.303 1.623 20 0 CDADHL COc1ccc(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c([O-])c1 ZINC000035390195 371334772 /nfs/dbraw/zinc/33/47/72/371334772.db2.gz JHKPBIYMTQQWBH-NSHDSACASA-N -2 3 281.308 1.630 20 0 CDADHL CC[C@@H](CC[N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000297289380 371979565 /nfs/dbraw/zinc/97/95/65/371979565.db2.gz UQYYRSJWSAETTF-QMMMGPOBSA-N -2 3 277.367 1.527 20 0 CDADHL O=C(c1cccc([O-])c1)N1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000580649873 372059415 /nfs/dbraw/zinc/05/94/15/372059415.db2.gz NKLRRBCFYBTZCI-JTQLQIEISA-N -2 3 288.307 1.236 20 0 CDADHL O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccco2)C1 ZINC000581942110 373384879 /nfs/dbraw/zinc/38/48/79/373384879.db2.gz WTIKRYQUXWTOSB-BDAKNGLRSA-N -2 3 273.310 1.201 20 0 CDADHL O=C([O-])c1csc(S(=O)(=O)[N-]CC2CCC2)c1 ZINC000034653262 373740912 /nfs/dbraw/zinc/74/09/12/373740912.db2.gz MGJNVQHRHWZLOR-UHFFFAOYSA-N -2 3 275.351 1.525 20 0 CDADHL CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000571707849 377467030 /nfs/dbraw/zinc/46/70/30/377467030.db2.gz MLFWOZNWLCEUIZ-IUCAKERBSA-N -2 3 275.326 1.447 20 0 CDADHL C[C@H](OCCc1ccccc1)C(=O)N=c1ccc([O-])n[n-]1 ZINC000410715920 391328604 /nfs/dbraw/zinc/32/86/04/391328604.db2.gz GGZHZMGWBIJLDI-NSHDSACASA-N -2 3 287.319 1.190 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]CCC2CC2)cc1C(=O)[O-] ZINC000645972585 393441681 /nfs/dbraw/zinc/44/16/81/393441681.db2.gz MVCIQJWAXFVWGS-UHFFFAOYSA-N -2 3 273.310 1.365 20 0 CDADHL Cc1ncc(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])s1 ZINC000230275744 140209995 /nfs/dbraw/zinc/20/99/95/140209995.db2.gz JTUUTLRGWNVTEB-UHFFFAOYSA-N -2 3 292.382 1.373 20 0 CDADHL C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2cccs2)CC1 ZINC000650425226 397924790 /nfs/dbraw/zinc/92/47/90/397924790.db2.gz AGVIYBHZQNVBOR-SSDOTTSWSA-N -2 3 275.351 1.280 20 0 CDADHL O=C(/C=C/c1cncc([O-])c1)Nc1ncccc1[O-] ZINC000181003444 398069498 /nfs/dbraw/zinc/06/94/98/398069498.db2.gz GQRKAUMRNLVXMO-ONEGZZNKSA-N -2 3 257.249 1.540 20 0 CDADHL Cc1nn(C)cc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000349113135 154054341 /nfs/dbraw/zinc/05/43/41/154054341.db2.gz QFEMWMZWPXUOOZ-SNAWJCMRSA-N -2 3 288.307 1.330 20 0 CDADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@]23C[C@H]2CCC3)c1 ZINC000656715910 413595142 /nfs/dbraw/zinc/59/51/42/413595142.db2.gz CPBGZSCLEALDOT-LDYMZIIASA-N -2 3 287.362 1.667 20 0 CDADHL Cn1ncc2c1[n-]cc(C(=O)Nc1cccc([O-])c1)c2=O ZINC000181704696 270248786 /nfs/dbraw/zinc/24/87/86/270248786.db2.gz NOHASQBWMORHPP-UHFFFAOYSA-N -2 3 284.275 1.632 20 0 CDADHL CC[C@H](Sc1ccc(-c2nnn[n-]2)c(C)n1)C(=O)[O-] ZINC001590482918 1173432002 /nfs/dbraw/zinc/43/20/02/1173432002.db2.gz SHBBCRYWPJFVSM-QMMMGPOBSA-N -2 3 279.325 1.525 20 0 CDADHL CC[C@H](Sc1ccc(-c2nn[n-]n2)c(C)n1)C(=O)[O-] ZINC001590482918 1173432007 /nfs/dbraw/zinc/43/20/07/1173432007.db2.gz SHBBCRYWPJFVSM-QMMMGPOBSA-N -2 3 279.325 1.525 20 0 CDADHL CC[C@@H](C[N-]S(=O)(=O)c1sc(C)nc1C)C(=O)[O-] ZINC000681570444 482912285 /nfs/dbraw/zinc/91/22/85/482912285.db2.gz GMMQASQRCZBDOO-QMMMGPOBSA-N -2 3 292.382 1.149 20 0 CDADHL C[C@H](NC(=O)c1cc2c(cc1[O-])CCCC2)C(=O)[O-] ZINC000738220183 576049413 /nfs/dbraw/zinc/04/94/13/576049413.db2.gz WVEXJRSFULDUHB-QMMMGPOBSA-N -2 3 263.293 1.474 20 0 CDADHL O=C(OCc1cccc(-c2nnn[n-]2)c1)c1cncc([O-])c1 ZINC000738233789 576051799 /nfs/dbraw/zinc/05/17/99/576051799.db2.gz UKIYDTCNPTWTHA-UHFFFAOYSA-N -2 3 297.274 1.324 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)c1c(F)cc(F)cc1F ZINC001601994918 1175103491 /nfs/dbraw/zinc/10/34/91/1175103491.db2.gz MYUDPLZQBKMRGI-UHFFFAOYSA-N -2 3 277.198 1.630 20 0 CDADHL CC(C)N(CCC(=O)[O-])C(=O)c1cc2c(cc1[O-])OCO2 ZINC000833497191 604711407 /nfs/dbraw/zinc/71/14/07/604711407.db2.gz UBCIPQPQWJRSJW-UHFFFAOYSA-N -2 3 295.291 1.446 20 0 CDADHL O=C([O-])C[C@H](NC(=O)c1ccc(O)cc1[O-])C1CC1 ZINC000137159728 604788057 /nfs/dbraw/zinc/78/80/57/604788057.db2.gz PPQGJNXVIMPVHA-JTQLQIEISA-N -2 3 265.265 1.081 20 0 CDADHL C[C@@]1(NC(=O)c2ccc(O)cc2[O-])CCCC[C@@H]1C(=O)[O-] ZINC000833567066 604963765 /nfs/dbraw/zinc/96/37/65/604963765.db2.gz FWPWEVVAMMADAP-IAQYHMDHSA-N -2 3 293.319 1.861 20 0 CDADHL COC(=O)c1cccc2[n-]c(NC(=O)CCC(=O)[O-])nc21 ZINC000833717322 605061626 /nfs/dbraw/zinc/06/16/26/605061626.db2.gz YAAHKKGZQADPHW-UHFFFAOYSA-N -2 3 291.263 1.153 20 0 CDADHL CN(CCCC(=O)[O-])C(=O)Cc1ccc([O-])c(F)c1 ZINC000908638087 628306781 /nfs/dbraw/zinc/30/67/81/628306781.db2.gz MVXCPSJCPFKQBB-UHFFFAOYSA-N -2 3 269.272 1.397 20 0 CDADHL CC(=O)c1ccc(C(=O)N2CC([C@H](F)C(=O)[O-])C2)cc1[O-] ZINC000910132136 628874052 /nfs/dbraw/zinc/87/40/52/628874052.db2.gz MEPDPPQAXFDYEG-LBPRGKRZSA-N -2 3 295.266 1.090 20 0 CDADHL CCCN(C(=O)c1ccc(C(C)=O)c([O-])c1)[C@H](C)C(=O)[O-] ZINC000911713675 629429698 /nfs/dbraw/zinc/42/96/98/629429698.db2.gz LNHBZITVYNUKFF-SECBINFHSA-N -2 3 293.319 1.920 20 0 CDADHL C[C@@H](NC(=O)c1cc2sccc2c([O-])c1)C(=O)[O-] ZINC001607421826 1164174714 /nfs/dbraw/zinc/17/47/14/1164174714.db2.gz PPYFZGXKXWXYAC-ZCFIWIBFSA-N -2 3 265.290 1.810 20 0 CDADHL O=C([O-])[C@@H](CNC(=O)c1cc(=O)[n-]cn1)CC1CCCC1 ZINC001608421417 1164512565 /nfs/dbraw/zinc/51/25/65/1164512565.db2.gz TXPOICFTTQMPEM-SNVBAGLBSA-N -2 3 293.323 1.193 20 0 CDADHL CC/C=C(/F)C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001590534918 1173454850 /nfs/dbraw/zinc/45/48/50/1173454850.db2.gz VMMVFKFRKVKHLO-ONNFQVAWSA-N -2 3 277.259 1.540 20 0 CDADHL CC/C=C(/F)C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001590534918 1173454854 /nfs/dbraw/zinc/45/48/54/1173454854.db2.gz VMMVFKFRKVKHLO-ONNFQVAWSA-N -2 3 277.259 1.540 20 0 CDADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)[C@H]1C[C@@H]1C(F)F ZINC001593171011 1174029552 /nfs/dbraw/zinc/02/95/52/1174029552.db2.gz PYCVHAVFDFJARV-IUCAKERBSA-N -2 3 295.249 1.178 20 0 CDADHL O=C([O-])CCCCNc1c(F)cc(-c2nn[n-]n2)cc1F ZINC001593277791 1174046521 /nfs/dbraw/zinc/04/65/21/1174046521.db2.gz HWMWPNPUTYLRGI-UHFFFAOYSA-N -2 3 297.265 1.812 20 0 CDADHL Cc1cc(=O)[n-]c(N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)n1 ZINC001600285758 1174437468 /nfs/dbraw/zinc/43/74/68/1174437468.db2.gz PVTKKQNSAGWKFR-QMTHXVAHSA-N -2 3 277.324 1.572 20 0 CDADHL Cc1ccc(CC(=O)[N-]OCc2oncc2C(=O)[O-])cc1 ZINC001600400001 1174463744 /nfs/dbraw/zinc/46/37/44/1174463744.db2.gz JLHYJABTSYXMGP-UHFFFAOYSA-N -2 3 290.275 1.472 20 0 CDADHL Nc1ccc(C(=O)NCC2(C(=O)[O-])CCCC2)c([O-])c1 ZINC001601214723 1174792798 /nfs/dbraw/zinc/79/27/98/1174792798.db2.gz KYMDPGUTPIZTSJ-UHFFFAOYSA-N -2 3 278.308 1.349 20 0 CDADHL CCC[C@@H](CNC(=O)c1c([O-])cccc1OC)C(=O)[O-] ZINC000404911771 1186548602 /nfs/dbraw/zinc/54/86/02/1186548602.db2.gz FOXBUNDQCPYTJT-VIFPVBQESA-N -2 3 281.308 1.632 20 0 CDADHL O=C([N-]OCCC1CC1)c1n[n-]c2ccccc2c1=O ZINC000817399712 773983451 /nfs/dbraw/zinc/98/34/51/773983451.db2.gz XSYPHKBBOFPGAS-UHFFFAOYSA-N -2 3 273.292 1.797 20 0 CDADHL CSC(C)(C)C[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871992966 774788074 /nfs/dbraw/zinc/78/80/74/774788074.db2.gz BKOOZMSTAHWRSL-UHFFFAOYSA-N -2 3 293.366 1.398 20 0 CDADHL CCC[C@@H](C)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871992726 775360679 /nfs/dbraw/zinc/36/06/79/775360679.db2.gz CGJHSGLKGMGADM-SSDOTTSWSA-N -2 3 261.299 1.445 20 0 CDADHL CCC(CC)C[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871994076 779382447 /nfs/dbraw/zinc/38/24/47/779382447.db2.gz VBYFXOZAMHZRPG-UHFFFAOYSA-N -2 3 275.326 1.692 20 0 CDADHL COc1cc(C(=O)[O-])ccc1Nc1cc(=O)[n-]c(=S)[nH]1 ZINC001174674370 913280513 /nfs/dbraw/zinc/28/05/13/913280513.db2.gz WSVUTVXIMCKPSQ-UHFFFAOYSA-N -2 3 293.304 1.921 20 0 CDADHL O=C(Cc1ccc([S-])cc1)NCCCc1c[n-][nH]c1=O ZINC001183186938 918334665 /nfs/dbraw/zinc/33/46/65/918334665.db2.gz HYUGWKWOUDOACY-LLVKDONJSA-N -2 3 291.376 1.146 20 0 CDADHL O=S(=O)([N-][C@H]1[CH]CC=C1)c1cccnc1Cl ZINC001184909271 919337472 /nfs/dbraw/zinc/33/74/72/919337472.db2.gz KCKBJYUXRUPAGV-MRVPVSSYSA-N -2 3 257.722 1.546 20 0 CDADHL O=C(NCCCc1c[n-][nH]c1=O)c1cccc([S-])c1 ZINC001186156793 919910526 /nfs/dbraw/zinc/91/05/26/919910526.db2.gz QVTZIPUKQUMQMK-JTQLQIEISA-N -2 3 277.349 1.217 20 0 CDADHL CCOCCS(=O)(=O)[N-]c1cccc(C(C)=O)c1[O-] ZINC001187288136 920456551 /nfs/dbraw/zinc/45/65/51/920456551.db2.gz ZUTHACVSXYERQG-UHFFFAOYSA-N -2 3 287.337 1.373 20 0 CDADHL O=S(=O)([N-]c1cccc([O-])c1Cl)c1ncc[nH]1 ZINC001190728212 922159877 /nfs/dbraw/zinc/15/98/77/922159877.db2.gz IPWGFJFGJXLYTI-UHFFFAOYSA-N -2 3 273.701 1.570 20 0 CDADHL CCCCCCNC(=O)NCCCCP(=O)([O-])[O-] ZINC001191991379 922840934 /nfs/dbraw/zinc/84/09/34/922840934.db2.gz POJBBIROCCRASI-UHFFFAOYSA-N -2 3 280.305 1.824 20 0 CDADHL O=C(NCCP(=O)([O-])[O-])Nc1ccc(Cl)cc1 ZINC001202378505 926550946 /nfs/dbraw/zinc/55/09/46/926550946.db2.gz MFBWSLGOTALCKT-UHFFFAOYSA-N -2 3 278.632 1.639 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1ccc2[nH]cnc2c1 ZINC001151095583 937268461 /nfs/dbraw/zinc/26/84/61/937268461.db2.gz XXCZYVFMZMXFAB-UHFFFAOYSA-N -2 3 297.251 1.251 20 0 CDADHL Cc1ccc(NC(=O)NCCP(=O)([O-])[O-])c(C)c1 ZINC001202751489 931065451 /nfs/dbraw/zinc/06/54/51/931065451.db2.gz PFVBFPJFECTAJD-UHFFFAOYSA-N -2 3 272.241 1.603 20 0 CDADHL Cc1nc(NC(=O)c2[n-][nH]c3cc(=O)ccc2-3)cc(=O)[n-]1 ZINC001155261999 937654987 /nfs/dbraw/zinc/65/49/87/937654987.db2.gz ANTVHVAJAMELGD-UHFFFAOYSA-N -2 3 285.263 1.325 20 0 CDADHL O=C([O-])c1cc(Nc2cnc[n-]c2=O)cc(F)c1F ZINC001215461672 940888048 /nfs/dbraw/zinc/88/80/48/940888048.db2.gz UHACZTCPHHBZNV-UHFFFAOYSA-N -2 3 267.191 1.902 20 0 CDADHL O=c1nc(O[C@H]2CCCc3ccccc32)[n-]c(=O)[n-]1 ZINC001227566130 942189166 /nfs/dbraw/zinc/18/91/66/942189166.db2.gz FSNOEDPWUKWGCF-JTQLQIEISA-N -2 3 259.265 1.739 20 0 CDADHL CC(C)C(Oc1[n-]c(=O)nc2cn[n-]c21)C(C)C ZINC001233939749 943696473 /nfs/dbraw/zinc/69/64/73/943696473.db2.gz NXPRQDWOHVNKQN-UHFFFAOYSA-N -2 3 250.302 1.706 20 0 CDADHL CC1(C)CC(=O)CC[C@@H]1Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233939722 943696924 /nfs/dbraw/zinc/69/69/24/943696924.db2.gz NESLWIMOVZPQPR-VIFPVBQESA-N -2 3 276.296 1.173 20 0 CDADHL COCCS(=O)(=O)[N-]c1nc2c(cccc2[O-])s1 ZINC001259965302 945761581 /nfs/dbraw/zinc/76/15/81/945761581.db2.gz SBFPMVXMTFWVIO-UHFFFAOYSA-N -2 3 288.350 1.390 20 0 CDADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cncc([O-])c2)c1 ZINC001260183498 945804343 /nfs/dbraw/zinc/80/43/43/945804343.db2.gz SMDOBIOEYVCBLX-UHFFFAOYSA-N -3 3 294.288 1.286 20 0 CDADHL CC(=O)c1cccc([N-]S(=O)(=O)C(F)(F)F)c1[O-] ZINC001252354807 951207466 /nfs/dbraw/zinc/20/74/66/951207466.db2.gz BEVQCTNYMZEDNZ-UHFFFAOYSA-N -2 3 283.227 1.856 20 0 CDADHL O=C([O-])CCCC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001595028344 951360533 /nfs/dbraw/zinc/36/05/33/951360533.db2.gz AFZDKRRZPKTJMC-UHFFFAOYSA-N -2 3 264.241 1.258 20 0 CDADHL O=C([O-])CNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC001595103419 951874330 /nfs/dbraw/zinc/87/43/30/951874330.db2.gz GETLTZOEDGQUFA-UHFFFAOYSA-N -2 3 263.171 1.225 20 0 CDADHL COc1cccc([O-])c1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000404587479 953379530 /nfs/dbraw/zinc/37/95/30/953379530.db2.gz FYMPHOIEGMLYDK-UHFFFAOYSA-N -2 3 293.319 1.774 20 0 CDADHL COc1cccc([O-])c1C(=O)N1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000404739189 953381088 /nfs/dbraw/zinc/38/10/88/953381088.db2.gz VUMXJNPSOPMNKL-UWVGGRQHSA-N -2 3 293.319 1.584 20 0 CDADHL O=C([N-]OCC(F)(F)F)c1cnc(C2CC2)[n-]c1=O ZINC001333110164 953771568 /nfs/dbraw/zinc/77/15/68/953771568.db2.gz JOIZSYFQPXALBC-UHFFFAOYSA-N -2 3 277.202 1.283 20 0 CDADHL O=C([O-])CN(C(=O)c1cccc(O)c1[O-])C1CCCC1 ZINC000126001894 958577866 /nfs/dbraw/zinc/57/78/66/958577866.db2.gz QFEUFQNTUZIFNM-UHFFFAOYSA-N -2 3 279.292 1.567 20 0 CDADHL CSc1nc(NC(=O)c2cc(F)cc(C(=O)[O-])c2)n[n-]1 ZINC001571057502 960741515 /nfs/dbraw/zinc/74/15/15/960741515.db2.gz DYJMEJIPPNDGNQ-UHFFFAOYSA-N -2 3 296.283 1.616 20 0 CDADHL O=P([O-])([O-])CCNC(=S)Nc1ccc(F)c(F)c1 ZINC001200702307 968771221 /nfs/dbraw/zinc/77/12/21/968771221.db2.gz KLPSZKOVTJKFES-UHFFFAOYSA-N -2 3 296.235 1.429 20 0 CDADHL O=C([O-])[C@H](C(=O)Nc1cccc([O-])c1F)C1CC1 ZINC001605900842 972729267 /nfs/dbraw/zinc/72/92/67/972729267.db2.gz HZLQPZJCUNQIAG-VIFPVBQESA-N -2 3 253.229 1.581 20 0 CDADHL O=C([O-])CC1(C(=O)NCc2ccc([O-])c(F)c2)CCC1 ZINC001606071757 973220014 /nfs/dbraw/zinc/22/00/14/973220014.db2.gz PRHDOEMPQJQCHV-UHFFFAOYSA-N -2 3 281.283 1.793 20 0 CDADHL O=C([O-])CCCOC(=O)Cc1ccc([O-])c(F)c1 ZINC001606182042 973430406 /nfs/dbraw/zinc/43/04/06/973430406.db2.gz XYCBHFKCBAZZGQ-UHFFFAOYSA-N -2 3 256.229 1.482 20 0 CDADHL O=C([O-])CCCC(=O)[N-]OCCCC(F)(F)F ZINC000710053633 977477491 /nfs/dbraw/zinc/47/74/91/977477491.db2.gz FOCHXFZFCGPUTA-UHFFFAOYSA-N -2 3 257.208 1.632 20 0 CDADHL CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(N)cc1[O-] ZINC001594821760 981972772 /nfs/dbraw/zinc/97/27/72/981972772.db2.gz JFIWALYPCNTVFP-ZDUSSCGKSA-N -2 3 266.297 1.348 20 0 CDADHL Cc1cc(CSc2n[nH]c(=O)[n-]2)ccc1-c1nnn[n-]1 ZINC001605667285 1163638125 /nfs/dbraw/zinc/63/81/25/1163638125.db2.gz NARYCNJWRLTJAM-UHFFFAOYSA-N -2 3 289.324 1.291 20 0 CDADHL Cc1cc(CSc2n[nH]c(=O)[n-]2)ccc1-c1nn[n-]n1 ZINC001605667285 1163638133 /nfs/dbraw/zinc/63/81/33/1163638133.db2.gz NARYCNJWRLTJAM-UHFFFAOYSA-N -2 3 289.324 1.291 20 0 CDADHL CC(C)CC[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134667380 342071311 /nfs/dbraw/zinc/07/13/11/342071311.db2.gz AKGKZTUZZZFQEB-UHFFFAOYSA-N -2 3 278.355 1.166 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@@H]2C=C[C@@H](C(=O)[O-])C2)c(F)c1 ZINC000404997613 361853670 /nfs/dbraw/zinc/85/36/70/361853670.db2.gz HSSYQBMXEMWYQO-NXEZZACHSA-N -2 3 299.323 1.442 20 0 CDADHL COC(=O)c1ccc(C(=O)Nc2nc(C)ccc2[O-])[n-]1 ZINC000351773921 361936633 /nfs/dbraw/zinc/93/66/33/361936633.db2.gz ITYWVKOTRWJJLF-UHFFFAOYSA-N -2 3 275.264 1.463 20 0 CDADHL COc1ccc([O-])c(C(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000036972881 356297836 /nfs/dbraw/zinc/29/78/36/356297836.db2.gz FGGKVRAKVLZHPA-UHFFFAOYSA-N -2 3 279.292 1.338 20 0 CDADHL CC[C@H](C)c1cc(=O)n(-c2cn[n-]c(=O)c2Cl)[n-]1 ZINC000634587305 356466547 /nfs/dbraw/zinc/46/65/47/356466547.db2.gz KMHAXRHDYBKLGS-LURJTMIESA-N -2 3 268.704 1.974 20 0 CDADHL CC[C@H](C)[C@H](NC(=O)c1cccc(C)c1[O-])C(=O)[O-] ZINC000019807179 356506754 /nfs/dbraw/zinc/50/67/54/356506754.db2.gz VBZAHNOKAAYCES-KWQFWETISA-N -2 3 265.309 1.930 20 0 CDADHL O=C([O-])c1cccc([N-]S(=O)(=O)C[C@@H]2CCCO2)c1 ZINC000063155394 357508434 /nfs/dbraw/zinc/50/84/34/357508434.db2.gz GPRVSYUGUHFUER-NSHDSACASA-N -2 3 285.321 1.306 20 0 CDADHL CCC[C@@H]([N-]S(=O)(=O)c1cc(C)cs1)C(=O)[O-] ZINC000263214532 359243852 /nfs/dbraw/zinc/24/38/52/359243852.db2.gz PJPQXNGLKHDAAO-MRVPVSSYSA-N -2 3 277.367 1.588 20 0 CDADHL CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000566913386 370839415 /nfs/dbraw/zinc/83/94/15/370839415.db2.gz VEBMKRFYWYGXQQ-RQJHMYQMSA-N -2 3 292.382 1.554 20 0 CDADHL CSCCO[N-]C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000279994685 367221836 /nfs/dbraw/zinc/22/18/36/367221836.db2.gz LWMROOCEVTUIDT-UHFFFAOYSA-N -2 3 299.396 1.813 20 0 CDADHL C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccco1 ZINC000567298450 370947626 /nfs/dbraw/zinc/94/76/26/370947626.db2.gz XOBFUSFBBRWULI-UWVGGRQHSA-N -2 3 289.353 1.837 20 0 CDADHL CC(C)CCC[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000567805444 371152127 /nfs/dbraw/zinc/15/21/27/371152127.db2.gz CSXFYHWRBWRZQR-UHFFFAOYSA-N -2 3 292.382 1.556 20 0 CDADHL Cc1cccc(S(=O)(=O)[N-][C@@H](C)CC(=O)[O-])c1F ZINC000274984313 371199509 /nfs/dbraw/zinc/19/95/09/371199509.db2.gz YBVSRFFAQFICLC-QMMMGPOBSA-N -2 3 275.301 1.276 20 0 CDADHL CCO[N-]C(=O)CCc1c(C)nc(SC)[n-]c1=O ZINC000295717115 371421024 /nfs/dbraw/zinc/42/10/24/371421024.db2.gz NIDZIUCKMDTASD-UHFFFAOYSA-N -2 3 271.342 1.213 20 0 CDADHL CC(C)c1nc(=NCCCc2c[n-][nH]c2=O)s[n-]1 ZINC000631362903 376153232 /nfs/dbraw/zinc/15/32/32/376153232.db2.gz ZYSXOVVAKFSQTC-MRVPVSSYSA-N -2 3 267.358 1.007 20 0 CDADHL C[C@@H]([N-]S(=O)(=O)c1cccs1)[C@@H](C)C(=O)[O-] ZINC000164882633 292854299 /nfs/dbraw/zinc/85/42/99/292854299.db2.gz URJOMZOGIOXGKR-RNFRBKRXSA-N -2 3 263.340 1.136 20 0 CDADHL CC[C@@H](C)C[C@@H](NC(=O)c1ccc2n[n-]nc2c1)C(=O)[O-] ZINC000400408620 391992592 /nfs/dbraw/zinc/99/25/92/391992592.db2.gz VFTPYMDXAMPXSD-PRHODGIISA-N -2 3 290.323 1.577 20 0 CDADHL CC(C)C[C@@H]([N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000262453033 131221777 /nfs/dbraw/zinc/22/17/77/131221777.db2.gz ZUSYDOABIALTCQ-MRVPVSSYSA-N -2 3 261.299 1.057 20 0 CDADHL Cc1nc(C=CC=Cc2ccncc2)[n-]c(=O)c1CC(=O)[O-] ZINC000349106295 154052729 /nfs/dbraw/zinc/05/27/29/154052729.db2.gz HSTVWIHTHOCJTB-VOERYJCWSA-N -2 3 297.314 1.827 20 0 CDADHL O=C(N=c1ccc([O-])n[n-]1)c1ccccc1-n1cccn1 ZINC000361952247 159024092 /nfs/dbraw/zinc/02/40/92/159024092.db2.gz PHSCSFKQDIGOGO-UHFFFAOYSA-N -2 3 281.275 1.042 20 0 CDADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)(C)C ZINC000035390621 172173815 /nfs/dbraw/zinc/17/38/15/172173815.db2.gz GRSNTJDGZBXAEX-VIFPVBQESA-N -2 3 290.341 1.069 20 0 CDADHL C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000037254940 173066311 /nfs/dbraw/zinc/06/63/11/173066311.db2.gz QZFNRAKBUYYAAH-BDAKNGLRSA-N -2 3 287.337 1.835 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCc2ccco2)o1 ZINC000663429981 414250540 /nfs/dbraw/zinc/25/05/40/414250540.db2.gz QJYDNRVKTSBNCR-UHFFFAOYSA-N -2 3 299.304 1.482 20 0 CDADHL Cc1cccc(C(=O)Nc2cnn(CC(=O)[O-])c2)c1[O-] ZINC000038029790 174021098 /nfs/dbraw/zinc/02/10/98/174021098.db2.gz RPUKBLMMTSGOSM-UHFFFAOYSA-N -2 3 275.264 1.234 20 0 CDADHL Cc1cnc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)o1 ZINC000185036582 262301251 /nfs/dbraw/zinc/30/12/51/262301251.db2.gz AACVYSBLEVFQIK-UHFFFAOYSA-N -2 3 296.304 1.160 20 0 CDADHL CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000570916835 294331554 /nfs/dbraw/zinc/33/15/54/294331554.db2.gz PZESLGGDWLSFPS-ZJUUUORDSA-N -2 3 289.353 1.837 20 0 CDADHL CC(C)C(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000572045342 294547652 /nfs/dbraw/zinc/54/76/52/294547652.db2.gz RYYSSSNJYFIXBO-UHFFFAOYSA-N -2 3 275.326 1.691 20 0 CDADHL C/C=C\C[C@H]([N-]S(=O)(=O)c1cnc(C)s1)C(=O)[O-] ZINC000575057105 295093459 /nfs/dbraw/zinc/09/34/59/295093459.db2.gz DKEXXARJKAMCPW-VEMNSZJBSA-N -2 3 290.366 1.149 20 0 CDADHL CCC1(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])CC1 ZINC000578886990 324050969 /nfs/dbraw/zinc/05/09/69/324050969.db2.gz DHXFDLMRKQQCRQ-UHFFFAOYSA-N -2 3 290.366 1.310 20 0 CDADHL Cc1csc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CC2)c1 ZINC000579442202 324185046 /nfs/dbraw/zinc/18/50/46/324185046.db2.gz QWODGEQAGAKWCQ-VIFPVBQESA-N -2 3 275.351 1.198 20 0 CDADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]CC(C)(F)F ZINC000579965677 324332078 /nfs/dbraw/zinc/33/20/78/324332078.db2.gz NHAZHUJYSAXYAF-UHFFFAOYSA-N -2 3 299.320 1.688 20 0 CDADHL Cc1ccc([O-])c([N-]S(=O)(=O)CC2CCC2)n1 ZINC000395960458 1159637705 /nfs/dbraw/zinc/63/77/05/1159637705.db2.gz JIMJXUSPFHYFNX-UHFFFAOYSA-N -2 3 256.327 1.637 20 0 CDADHL O=C(c1ccc([O-])c(F)c1)N1CCc2c(=O)[n-]cnc2C1 ZINC000681069302 482682745 /nfs/dbraw/zinc/68/27/45/482682745.db2.gz XVVYEYQCNOPVLA-UHFFFAOYSA-N -2 3 289.266 1.225 20 0 CDADHL Cc1cccc(C(=O)Nc2ccn(CC(=O)[O-])n2)c1[O-] ZINC000677793964 482780855 /nfs/dbraw/zinc/78/08/55/482780855.db2.gz DNAAZLBZUHJMKA-UHFFFAOYSA-N -2 3 275.264 1.234 20 0 CDADHL COc1ccc(C(=O)NCC2(C(=O)[O-])CCC2)c([O-])c1 ZINC000166654110 482829775 /nfs/dbraw/zinc/82/97/75/482829775.db2.gz MJFQLIRRCZJMNC-UHFFFAOYSA-N -2 3 279.292 1.386 20 0 CDADHL CCN(C(=O)c1cccc([O-])c1)C(C)(C)C(=O)[O-] ZINC000061149031 520101564 /nfs/dbraw/zinc/10/15/64/520101564.db2.gz MCEJVQRRGKJYLN-UHFFFAOYSA-N -2 3 251.282 1.718 20 0 CDADHL CC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000184839542 522229813 /nfs/dbraw/zinc/22/98/13/522229813.db2.gz SSOCPUIYBCKYOE-MRVPVSSYSA-N -2 3 289.328 1.909 20 0 CDADHL COc1ccc([O-])c(C(=O)N2C[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000111251699 524726504 /nfs/dbraw/zinc/72/65/04/524726504.db2.gz LVZBTXAMVBBUDT-GZMMTYOYSA-N -2 3 279.292 1.194 20 0 CDADHL N[C@H](CCC(=O)[O-])c1nc(-c2ccc([O-])c(F)c2)no1 ZINC001601176589 1174773993 /nfs/dbraw/zinc/77/39/93/1174773993.db2.gz HGYDUVANROWHCA-MRVPVSSYSA-N -2 3 281.243 1.446 20 0 CDADHL O=C([O-])CCCOC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000738579526 574726780 /nfs/dbraw/zinc/72/67/80/574726780.db2.gz AUSUQNBSSVVENY-UHFFFAOYSA-N -2 3 264.237 1.691 20 0 CDADHL O=C([O-])CCCOC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000738579526 574726783 /nfs/dbraw/zinc/72/67/83/574726783.db2.gz AUSUQNBSSVVENY-UHFFFAOYSA-N -2 3 264.237 1.691 20 0 CDADHL C[C@@H](CN(C(=O)c1ccc(O)cc1[O-])C1CC1)C(=O)[O-] ZINC000736566726 575692376 /nfs/dbraw/zinc/69/23/76/575692376.db2.gz XGUZMZYSVMPOIK-QMMMGPOBSA-N -2 3 279.292 1.423 20 0 CDADHL C[C@H](OC(=O)c1cncc([O-])c1)c1ccc(C(=O)[O-])o1 ZINC000736696270 575724637 /nfs/dbraw/zinc/72/46/37/575724637.db2.gz JXQAHXBSRJLDHR-ZETCQYMHSA-N -2 3 277.232 1.996 20 0 CDADHL CC(C)C[C@@H](NC(=O)c1ccc(N)cc1[O-])C(=O)[O-] ZINC000763030115 576701839 /nfs/dbraw/zinc/70/18/39/576701839.db2.gz CDRWYOIMGRYWAV-SNVBAGLBSA-N -2 3 266.297 1.204 20 0 CDADHL CC[C@H](C)[C@H](NC(=O)c1ccc(N)cc1[O-])C(=O)[O-] ZINC000763033864 576702017 /nfs/dbraw/zinc/70/20/17/576702017.db2.gz WMXJLICMVCNBRN-CPCISQLKSA-N -2 3 266.297 1.204 20 0 CDADHL O=C([O-])c1ccc(C(=O)NCc2ccc([O-])c(F)c2)o1 ZINC001602323864 1175205334 /nfs/dbraw/zinc/20/53/34/1175205334.db2.gz JLBKLJBOXBRANS-UHFFFAOYSA-N -2 3 279.223 1.753 20 0 CDADHL CCC[C@H](CC)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000050401833 599775119 /nfs/dbraw/zinc/77/51/19/599775119.db2.gz VKYVOUFWWNLQFL-QMMMGPOBSA-N -2 3 275.326 1.835 20 0 CDADHL Cc1cc(=O)[n-]c(CN2CCc3ccccc3[C@@H]2C(=O)[O-])n1 ZINC000832899075 602315215 /nfs/dbraw/zinc/31/52/15/602315215.db2.gz GQBMTLPHYCELMG-OAHLLOKOSA-N -2 3 299.330 1.675 20 0 CDADHL CCc1cc(=O)[n-]c(CN(C)[C@H](COC(C)C)C(=O)[O-])n1 ZINC000830224386 604516079 /nfs/dbraw/zinc/51/60/79/604516079.db2.gz MFOMAYJUDIWJAD-LLVKDONJSA-N -2 3 297.355 1.055 20 0 CDADHL COCCN(CCC(=O)[O-])C(=O)c1ccc(C)cc1[O-] ZINC000737798228 620813447 /nfs/dbraw/zinc/81/34/47/620813447.db2.gz CZBGQFSBUNYENI-UHFFFAOYSA-N -2 3 281.308 1.264 20 0 CDADHL O=C([O-])C1([N-]S(=O)(=O)c2cscn2)CCCCC1 ZINC000843302673 618702051 /nfs/dbraw/zinc/70/20/51/618702051.db2.gz QNSJWJDWUJTGMX-UHFFFAOYSA-N -2 3 290.366 1.209 20 0 CDADHL C[C@@H](CN(C)C(=O)c1cc(=O)c2ccccc2[n-]1)C(=O)[O-] ZINC000042696490 625983398 /nfs/dbraw/zinc/98/33/98/625983398.db2.gz QBGCXOJAWCSONS-VIFPVBQESA-N -2 3 288.303 1.321 20 0 CDADHL O=C([O-])[C@@H]1CCCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000908597621 628286216 /nfs/dbraw/zinc/28/62/16/628286216.db2.gz LWIIHWWKFNOCAK-SNVBAGLBSA-N -2 3 281.283 1.397 20 0 CDADHL C[C@@H]1CCN(C(=O)Cc2ccc([O-])c(F)c2)[C@H](C(=O)[O-])C1 ZINC000909779720 628672780 /nfs/dbraw/zinc/67/27/80/628672780.db2.gz KUGAJSPYIJBDFJ-SKDRFNHKSA-N -2 3 295.310 1.786 20 0 CDADHL CC(=O)c1ccc(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)cc1[O-] ZINC000909802294 628680262 /nfs/dbraw/zinc/68/02/62/628680262.db2.gz CATFHLOMJWGOCA-GZMMTYOYSA-N -2 3 291.303 1.530 20 0 CDADHL CC(C)[C@H](C(=O)[O-])C(=O)NCc1ccc([O-])c(F)c1 ZINC000909923416 628776775 /nfs/dbraw/zinc/77/67/75/628776775.db2.gz QJXRSXKMCROKSJ-NSHDSACASA-N -2 3 269.272 1.504 20 0 CDADHL Cc1nc(NCCC(C)(C)C(=O)[O-])ccc1-c1nn[n-]n1 ZINC001606071019 1163764273 /nfs/dbraw/zinc/76/42/73/1163764273.db2.gz DJKIPESDLDUAJM-UHFFFAOYSA-N -2 3 290.327 1.483 20 0 CDADHL O=C([O-])c1ccc(C(=O)[N-]n2ccccc2=O)c(F)c1 ZINC001608876451 1164670304 /nfs/dbraw/zinc/67/03/04/1164670304.db2.gz RCKUGBKOVNOTKM-UHFFFAOYSA-N -2 3 276.223 1.070 20 0 CDADHL O=C([O-])c1coc(CN2CCC[C@@H](c3n[n-]c(=O)o3)C2)c1 ZINC001608987888 1164711057 /nfs/dbraw/zinc/71/10/57/1164711057.db2.gz YACPRRLDAUBEML-MRVPVSSYSA-N -2 3 293.279 1.446 20 0 CDADHL CC[C@H](C)CON=c1nc(-c2nn[n-]n2)cc(C)[n-]1 ZINC001609184520 1164826125 /nfs/dbraw/zinc/82/61/25/1164826125.db2.gz DOMBYAWPYFVZEQ-ZETCQYMHSA-N -2 3 263.305 1.355 20 0 CDADHL O=C([O-])CC[C@H](NCc1c(F)cccc1Cl)C(=O)[O-] ZINC000075424080 1172117794 /nfs/dbraw/zinc/11/77/94/1172117794.db2.gz OGKKVELBBGNJTI-JTQLQIEISA-N -2 3 289.690 1.887 20 0 CDADHL O=C([O-])C1(CNc2ccc(-c3nnn[n-]3)nc2)CCCC1 ZINC001593274628 1174045233 /nfs/dbraw/zinc/04/52/33/1174045233.db2.gz POUCJTKIWGRENC-UHFFFAOYSA-N -2 3 288.311 1.319 20 0 CDADHL O=C([O-])C1(CNc2ccc(-c3nn[n-]n3)nc2)CCCC1 ZINC001593274628 1174045240 /nfs/dbraw/zinc/04/52/40/1174045240.db2.gz POUCJTKIWGRENC-UHFFFAOYSA-N -2 3 288.311 1.319 20 0 CDADHL Cc1cccnc1C(F)(F)C(=O)[N-][C@H](CF)C(=O)[O-] ZINC001600592486 1174516805 /nfs/dbraw/zinc/51/68/05/1174516805.db2.gz YZUXCXGXSJTXCB-SSDOTTSWSA-N -2 3 276.214 1.021 20 0 CDADHL Cn1cc(CNCc2ccc(C(=O)[O-])cc2)cc1C(=O)[O-] ZINC001600953902 1174678958 /nfs/dbraw/zinc/67/89/58/1174678958.db2.gz BMUSOIXRVJPQJT-UHFFFAOYSA-N -2 3 288.303 1.711 20 0 CDADHL O=C([O-])c1ccc(CN2CCC[C@@H](C(=O)[O-])C2)[nH]1 ZINC001602337047 1175212488 /nfs/dbraw/zinc/21/24/88/1175212488.db2.gz IOKHBVINHQMNQC-MRVPVSSYSA-N -2 3 252.270 1.010 20 0 CDADHL C[C@@H]1CCc2c(=O)n(-c3ccc(-c4nnn[n-]4)cn3)[n-]c21 ZINC001603880958 1175667813 /nfs/dbraw/zinc/66/78/13/1175667813.db2.gz IFAMAVXODLLIQT-VXNVDRBHSA-N -2 3 283.295 1.010 20 0 CDADHL C[C@@H]1CCc2c(=O)n(-c3ccc(-c4nn[n-]n4)cn3)[n-]c21 ZINC001603880958 1175667817 /nfs/dbraw/zinc/66/78/17/1175667817.db2.gz IFAMAVXODLLIQT-VXNVDRBHSA-N -2 3 283.295 1.010 20 0 CDADHL O=C([O-])CC[C@@H](NCc1csc(C2CC2)n1)C(=O)[O-] ZINC001771909768 1186173239 /nfs/dbraw/zinc/17/32/39/1186173239.db2.gz QAPBHUTUMVILNM-SECBINFHSA-N -2 3 284.337 1.428 20 0 CDADHL O=C([O-])C1CCC(Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000313766120 1186715881 /nfs/dbraw/zinc/71/58/81/1186715881.db2.gz WAADLXWUPJFGBZ-UHFFFAOYSA-N -2 3 287.323 1.922 20 0 CDADHL CSc1ccc([O-])c(C(=O)N2CC(C(=O)[O-])C2)c1 ZINC001607409312 1164170641 /nfs/dbraw/zinc/17/06/41/1164170641.db2.gz HQKMWZMGDPRGMQ-UHFFFAOYSA-N -2 3 267.306 1.271 20 0 CDADHL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)C1CC1 ZINC001610410791 1165310491 /nfs/dbraw/zinc/31/04/91/1165310491.db2.gz HADIGUOILNMEGH-UHFFFAOYSA-N -2 3 261.324 1.659 20 0 CDADHL O=C([N-]OCCC1CC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000848129097 782980838 /nfs/dbraw/zinc/98/08/38/782980838.db2.gz NLFWZEABCJQUBG-UHFFFAOYSA-N -2 3 263.297 1.521 20 0 CDADHL C[C@H](CC(=O)[O-])NC(=O)c1cc([O-])ccc1Cl ZINC000235412482 782998008 /nfs/dbraw/zinc/99/80/08/782998008.db2.gz YGSHPYABOROQBH-ZCFIWIBFSA-N -2 3 257.673 1.639 20 0 CDADHL O=C(CCCc1ccc([O-])c(F)c1)OCc1n[nH]c(=O)[n-]1 ZINC000787848060 783195375 /nfs/dbraw/zinc/19/53/75/783195375.db2.gz KKQPNGBPUVNCBG-UHFFFAOYSA-N -2 3 295.270 1.421 20 0 CDADHL C[C@H](F)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000702604797 780254494 /nfs/dbraw/zinc/25/44/94/780254494.db2.gz YIYVSNDWRQWMJL-ZETCQYMHSA-N -2 3 293.291 1.550 20 0 CDADHL C[C@H](COC(C)(C)C)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233933453 913150757 /nfs/dbraw/zinc/15/07/57/913150757.db2.gz AUOIMVOVOXIKPB-SSDOTTSWSA-N -2 3 266.301 1.229 20 0 CDADHL CC(=O)c1cccc([O-])c1[N-]S(=O)(=O)CCCF ZINC001189916294 921719948 /nfs/dbraw/zinc/71/99/48/921719948.db2.gz VXPPRJXNLGTJHJ-UHFFFAOYSA-N -2 3 275.301 1.696 20 0 CDADHL O=C([O-])C(F)(F)C(F)(F)C(=O)[N-][C@@H]1CC=CCC1 ZINC001180176493 916172548 /nfs/dbraw/zinc/17/25/48/916172548.db2.gz CUMJMNGJCJMKKR-ZCFIWIBFSA-N -2 3 269.194 1.567 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])[C@H](O)C1CCCCC1 ZINC001187008665 920290646 /nfs/dbraw/zinc/29/06/46/920290646.db2.gz KWKDQDPVFYKNHN-LLVKDONJSA-N -2 3 293.300 1.002 20 0 CDADHL C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(N)cc1[O-] ZINC000844936647 931730790 /nfs/dbraw/zinc/73/07/90/931730790.db2.gz YHHLTFOUZKZVML-IUCAKERBSA-N -2 3 278.308 1.300 20 0 CDADHL CC[C@H](C(=O)[O-])N(C)C(=O)c1nnc2ccccc2c1[O-] ZINC000846713874 932117508 /nfs/dbraw/zinc/11/75/08/932117508.db2.gz IKMGYBFUVBRMFD-SNVBAGLBSA-N -2 3 289.291 1.271 20 0 CDADHL Cc1ccc(C(=O)NC[C@H](C)CC(=O)[O-])c([O-])c1 ZINC000158527577 934294465 /nfs/dbraw/zinc/29/44/65/934294465.db2.gz QZDJNONUQNMKAA-SECBINFHSA-N -2 3 251.282 1.541 20 0 CDADHL COc1cc(C(=O)[N-]c2cc(C(=O)[O-])ccc2F)on1 ZINC000191057109 934546360 /nfs/dbraw/zinc/54/63/60/934546360.db2.gz TYQSMCPOPSXBCB-UHFFFAOYSA-N -2 3 280.211 1.773 20 0 CDADHL COc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)c([O-])c1 ZINC000092917265 934902339 /nfs/dbraw/zinc/90/23/39/934902339.db2.gz XJKIMXOJLPEAAA-PSASIEDQSA-N -2 3 279.292 1.336 20 0 CDADHL Cc1cccc(OC[C@H](C)OCCP(=O)([O-])[O-])c1 ZINC001224602998 941774239 /nfs/dbraw/zinc/77/42/39/941774239.db2.gz UUHUBEDYFHVHSN-NSHDSACASA-N -2 3 274.253 1.957 20 0 CDADHL O=P([O-])([O-])CCO[C@@H]1CCCN(c2ccccc2)C1 ZINC001224607997 941775465 /nfs/dbraw/zinc/77/54/65/941775465.db2.gz XOKFQKBNJDBOER-CYBMUJFWSA-N -2 3 285.280 1.850 20 0 CDADHL CC[C@H](Oc1[n-]c(=O)nc2cn[n-]c21)C(C)(C)C ZINC001233939615 943694525 /nfs/dbraw/zinc/69/45/25/943694525.db2.gz MAQDVTZTQUAQES-QMMMGPOBSA-N -2 3 250.302 1.850 20 0 CDADHL O=C([N-]N1CCCC1=O)c1ncc2ccccc2c1[O-] ZINC001362279835 971109997 /nfs/dbraw/zinc/10/99/97/971109997.db2.gz YBBLKUOFSPOUQW-UHFFFAOYSA-N -2 3 271.276 1.208 20 0 CDADHL [O-]c1c(F)cc(-c2ccc(-c3nnn[n-]3)nc2)cc1F ZINC001244094995 947312184 /nfs/dbraw/zinc/31/21/84/947312184.db2.gz YMIJSXITWWCFBR-UHFFFAOYSA-N -2 3 275.218 1.913 20 0 CDADHL [O-]c1c(F)cc(-c2ccc(-c3nn[n-]n3)nc2)cc1F ZINC001244094995 947312197 /nfs/dbraw/zinc/31/21/97/947312197.db2.gz YMIJSXITWWCFBR-UHFFFAOYSA-N -2 3 275.218 1.913 20 0 CDADHL CC[C@@](COC)(NC(=O)c1ccc(OC)cc1[O-])C(=O)[O-] ZINC000328562293 971502464 /nfs/dbraw/zinc/50/24/64/971502464.db2.gz HRFUPCYJBPCUGI-AWEZNQCLSA-N -2 3 297.307 1.010 20 0 CDADHL CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000126023717 949261127 /nfs/dbraw/zinc/26/11/27/949261127.db2.gz NJLPIYOTYBJRLA-OAHLLOKOSA-N -2 3 293.319 1.815 20 0 CDADHL CCCN(CC(=O)[O-])C(=O)c1ccc(CC)cc1[O-] ZINC001589666059 949893397 /nfs/dbraw/zinc/89/33/97/949893397.db2.gz DCWYOHMLQSZTAZ-UHFFFAOYSA-N -2 3 265.309 1.891 20 0 CDADHL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000398750905 951606010 /nfs/dbraw/zinc/60/60/10/951606010.db2.gz VWHDTJSMTSEOJA-DTWKUNHWSA-N -2 3 279.292 1.281 20 0 CDADHL CC[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000387977014 972150886 /nfs/dbraw/zinc/15/08/86/972150886.db2.gz HLXOLMOLLHWYJR-RQJHMYQMSA-N -2 3 290.366 1.166 20 0 CDADHL C[C@@](O)(CNC(=O)c1cc2sccc2c([O-])c1)C(=O)[O-] ZINC001589144911 956284443 /nfs/dbraw/zinc/28/44/43/956284443.db2.gz YTDFPALNHQUBEC-CYBMUJFWSA-N -2 3 295.316 1.172 20 0 CDADHL O=C([O-])c1ccccc1CC(=O)NCc1ncccc1[O-] ZINC001594709784 956869446 /nfs/dbraw/zinc/86/94/46/956869446.db2.gz OAETVOFDRDFJJS-UHFFFAOYSA-N -2 3 286.287 1.344 20 0 CDADHL O=C([O-])CCS(=O)(=O)[N-]c1cc(F)c(F)c(F)c1 ZINC000061117798 957572711 /nfs/dbraw/zinc/57/27/11/957572711.db2.gz WPZIPVCGXHEDJF-UHFFFAOYSA-N -2 3 283.227 1.320 20 0 CDADHL Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])[C@H](C3CC3)C2)c([O-])c1 ZINC001549107454 968018573 /nfs/dbraw/zinc/01/85/73/968018573.db2.gz CBXVWDPMLFSFLG-STQMWFEESA-N -2 3 289.331 1.883 20 0 CDADHL C[C@@H]1CCN(C(=O)Cc2ccc([O-])c(F)c2)C[C@@H]1C(=O)[O-] ZINC001603417537 973129490 /nfs/dbraw/zinc/12/94/90/973129490.db2.gz SXJRNDDYTVILNX-KOLCDFICSA-N -2 3 295.310 1.643 20 0 CDADHL CC[C@H](C)CO[N-]C(=O)C1(CC(=O)[O-])CCOCC1 ZINC001603512847 973515761 /nfs/dbraw/zinc/51/57/61/973515761.db2.gz RUJDAXQEBADTGB-JTQLQIEISA-N -2 3 273.329 1.352 20 0 CDADHL CCN(C(=O)c1cc(OC)c([O-])c(OC)c1)[C@H](C)C(=O)[O-] ZINC001603716076 974142112 /nfs/dbraw/zinc/14/21/12/974142112.db2.gz XDRDFCMQGQTXFC-MRVPVSSYSA-N -2 3 297.307 1.345 20 0 CDADHL Cc1cccc([O-])c1C(=O)NC1CC(CC(=O)[O-])C1 ZINC000718059066 977937625 /nfs/dbraw/zinc/93/76/25/977937625.db2.gz RPHUAFSJABPFLL-UHFFFAOYSA-N -2 3 263.293 1.684 20 0 CDADHL CC[C@](C)(CC(=O)[O-])NC(=O)c1cccc2n[n-]nc21 ZINC001594823876 981979109 /nfs/dbraw/zinc/97/91/09/981979109.db2.gz OZTSIIPHAHWTPZ-CYBMUJFWSA-N -2 3 276.296 1.331 20 0 CDADHL CCCN(C(=O)c1ccccc1[O-])[C@H](C)C(=O)[O-] ZINC001573749491 983098611 /nfs/dbraw/zinc/09/86/11/983098611.db2.gz QSEKTPITHRXNSM-SECBINFHSA-N -2 3 251.282 1.718 20 0 CDADHL CCCc1nnc([N-]C(=O)c2csc(C(=O)[O-])n2)s1 ZINC001596094949 983416012 /nfs/dbraw/zinc/41/60/12/983416012.db2.gz BFVQMXQJVFMAPO-UHFFFAOYSA-N -2 3 298.349 1.898 20 0 CDADHL C=C/C=C/CC[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001588721406 983971753 /nfs/dbraw/zinc/97/17/53/983971753.db2.gz OPEBAIWZSRJYIK-ONEGZZNKSA-N -2 3 288.350 1.252 20 0 CDADHL COc1cccc2c(C(=O)OCC3(C(=O)[O-])CC3)n[n-]c21 ZINC001599689233 991038565 /nfs/dbraw/zinc/03/85/65/991038565.db2.gz GANIEAAEIDLHHA-UHFFFAOYSA-N -2 3 290.275 1.593 20 0 CDADHL CC[C@@H](CNC(=O)c1cc(OC)c([O-])c(OC)c1)C(=O)[O-] ZINC001605037498 1163426259 /nfs/dbraw/zinc/42/62/59/1163426259.db2.gz KIFAHFWYIOYLLV-QMMMGPOBSA-N -2 3 297.307 1.250 20 0 CDADHL C/C=C/C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000629343259 361848485 /nfs/dbraw/zinc/84/84/85/361848485.db2.gz VNZXOQTWUILHBN-ONEGZZNKSA-N -2 3 259.283 1.141 20 0 CDADHL O=C([O-])[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000085326778 179018252 /nfs/dbraw/zinc/01/82/52/179018252.db2.gz FARDSIWZXQTLAT-WCBMZHEXSA-N -2 3 287.312 1.357 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-])c(C)o1 ZINC000275188587 365955761 /nfs/dbraw/zinc/95/57/61/365955761.db2.gz FGQBESJXZPEGBB-ZETCQYMHSA-N -2 3 297.279 1.283 20 0 CDADHL COc1ccc(C(=O)N2CC3CC2(C(=O)[O-])C3)c([O-])c1 ZINC000622000188 350925564 /nfs/dbraw/zinc/92/55/64/350925564.db2.gz AGDKALPESBXNBZ-UHFFFAOYSA-N -2 3 277.276 1.090 20 0 CDADHL O=C([O-])C1([N-]S(=O)(=O)c2cccs2)CCCC1 ZINC000036947351 356891375 /nfs/dbraw/zinc/89/13/75/356891375.db2.gz AOIYSZZKUJEOLI-UHFFFAOYSA-N -2 3 275.351 1.424 20 0 CDADHL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccccc2[O-])C1 ZINC000263348386 357441952 /nfs/dbraw/zinc/44/19/52/357441952.db2.gz PDJFOCCFWBQZQQ-NXEZZACHSA-N -2 3 263.293 1.575 20 0 CDADHL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccco1 ZINC000277348152 366416813 /nfs/dbraw/zinc/41/68/13/366416813.db2.gz WZDNVABUOZNKSO-MRVPVSSYSA-N -2 3 261.299 1.201 20 0 CDADHL Cc1noc(C)c1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000347414809 359392850 /nfs/dbraw/zinc/39/28/50/359392850.db2.gz MATZBBOSUONANI-PLNGDYQASA-N -2 3 289.291 1.893 20 0 CDADHL O=C(N=c1nc2n([n-]1)CCCC2)c1cc(-c2ccco2)n[n-]1 ZINC000457135828 363925472 /nfs/dbraw/zinc/92/54/72/363925472.db2.gz CQLAKXZMFMPNOB-UHFFFAOYSA-N -2 3 298.306 1.272 20 0 CDADHL O=C(N=c1nc2n([n-]1)CCCC2)c1cc(-c2ccco2)[n-]n1 ZINC000457135828 363925474 /nfs/dbraw/zinc/92/54/74/363925474.db2.gz CQLAKXZMFMPNOB-UHFFFAOYSA-N -2 3 298.306 1.272 20 0 CDADHL O=C([O-])[C@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccccc1 ZINC000192837719 363997645 /nfs/dbraw/zinc/99/76/45/363997645.db2.gz PXFLMCFZFGKBQO-CYBMUJFWSA-N -2 3 296.286 1.514 20 0 CDADHL CCC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000034972404 364383885 /nfs/dbraw/zinc/38/38/85/364383885.db2.gz KIHWFPZFVOPDBD-UHFFFAOYSA-N -2 3 261.299 1.445 20 0 CDADHL CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000566913384 370839713 /nfs/dbraw/zinc/83/97/13/370839713.db2.gz VEBMKRFYWYGXQQ-NKWVEPMBSA-N -2 3 292.382 1.554 20 0 CDADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CC(=O)[O-] ZINC000340454142 370978469 /nfs/dbraw/zinc/97/84/69/370978469.db2.gz FRBUOYZBPVLKHQ-UHFFFAOYSA-N -2 3 287.268 1.243 20 0 CDADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000022145014 171356404 /nfs/dbraw/zinc/35/64/04/171356404.db2.gz PRGOGPZRTNMQMC-KWQFWETISA-N -2 3 289.328 1.603 20 0 CDADHL CC[C@@H](C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000022152191 171359145 /nfs/dbraw/zinc/35/91/45/171359145.db2.gz CRTABSCYPHVCME-ZCFIWIBFSA-N -2 3 293.291 1.740 20 0 CDADHL C[C@@H](CN(C)c1cc(Cl)ccc1-c1nnn[n-]1)C(=O)[O-] ZINC001589845769 1173190546 /nfs/dbraw/zinc/19/05/46/1173190546.db2.gz ZDFHLHZFQSXVIA-ZETCQYMHSA-N -2 3 295.730 1.677 20 0 CDADHL C[C@@H](CN(C)c1cc(Cl)ccc1-c1nn[n-]n1)C(=O)[O-] ZINC001589845769 1173190551 /nfs/dbraw/zinc/19/05/51/1173190551.db2.gz ZDFHLHZFQSXVIA-ZETCQYMHSA-N -2 3 295.730 1.677 20 0 CDADHL O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cc(F)ccc2[O-])C1 ZINC000653291420 424381109 /nfs/dbraw/zinc/38/11/09/424381109.db2.gz DWTRXIMRWVUXNZ-JGVFFNPUSA-N -2 3 267.256 1.971 20 0 CDADHL CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cccc(OC)c1[O-] ZINC000037589664 270224444 /nfs/dbraw/zinc/22/44/44/270224444.db2.gz VBLVEMCUIKVVCT-SECBINFHSA-N -2 3 281.308 1.726 20 0 CDADHL CCCC[C@H](Sc1nc2n[nH]cc2c(=O)[n-]1)C(=O)[O-] ZINC000036673835 279140789 /nfs/dbraw/zinc/14/07/89/279140789.db2.gz MFPRPMHLGOCRFC-ZETCQYMHSA-N -2 3 282.325 1.382 20 0 CDADHL CC[C@@H](CNc1ccc(C)c(-c2nnn[n-]2)n1)C(=O)[O-] ZINC001590447077 1173411600 /nfs/dbraw/zinc/41/16/00/1173411600.db2.gz XSOSHAXYLRQSFI-QMMMGPOBSA-N -2 3 276.300 1.093 20 0 CDADHL O=C([O-])c1nscc1S(=O)(=O)[N-]CC1CCCC1 ZINC000584111272 327008894 /nfs/dbraw/zinc/00/88/94/327008894.db2.gz UFZAYNXYNAWABU-UHFFFAOYSA-N -2 3 290.366 1.310 20 0 CDADHL CCC[C@H](NC(=O)c1ccc([O-])c(CC)c1)c1nnn[n-]1 ZINC000291843512 528203597 /nfs/dbraw/zinc/20/35/97/528203597.db2.gz FOWICRXJDDVMHB-NSHDSACASA-N -2 3 289.339 1.739 20 0 CDADHL O=C([O-])c1ccc(CC(=O)[N-]OC/C=C\Cl)cc1 ZINC001601356336 1174843144 /nfs/dbraw/zinc/84/31/44/1174843144.db2.gz NSZRYEOLXOHCID-BHQIHCQQSA-N -2 3 269.684 1.728 20 0 CDADHL Cc1ccc([C@H](CN=c2ncnc3[nH][n-]cc2-3)C(=O)[O-])cc1 ZINC000738567495 574706909 /nfs/dbraw/zinc/70/69/09/574706909.db2.gz GEUUELXJBPXUFK-NSHDSACASA-N -2 3 297.318 1.315 20 0 CDADHL CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C(=O)[O-])c([O-])c1 ZINC000737154811 575833204 /nfs/dbraw/zinc/83/32/04/575833204.db2.gz DIOGDQOLOAPENC-DTWKUNHWSA-N -2 3 293.275 1.228 20 0 CDADHL O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1cncc([O-])c1 ZINC000738232118 576051399 /nfs/dbraw/zinc/05/13/99/576051399.db2.gz PKACFZDZNFADLT-UHFFFAOYSA-N -2 3 297.274 1.324 20 0 CDADHL O=C([O-])c1ccc(COC(=O)c2cncc([O-])c2)cc1 ZINC000740134302 576429470 /nfs/dbraw/zinc/42/94/70/576429470.db2.gz SMKNZAYAZYDZJX-UHFFFAOYSA-N -2 3 273.244 1.842 20 0 CDADHL O=C([O-])c1coc(CSc2nc3nncc-3c(O)[n-]2)c1 ZINC000740269293 576455417 /nfs/dbraw/zinc/45/54/17/576455417.db2.gz NMPOBVFGACSIDY-UHFFFAOYSA-N -2 3 292.276 1.642 20 0 CDADHL C[C@H]([N-]C(=O)C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820316079 599530467 /nfs/dbraw/zinc/53/04/67/599530467.db2.gz SEUSIWWOZCZGTF-LURJTMIESA-N -2 3 285.229 1.606 20 0 CDADHL C[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000037030722 599769519 /nfs/dbraw/zinc/76/95/19/599769519.db2.gz QYTHMQICXMHWSW-QMMMGPOBSA-N -2 3 299.304 1.480 20 0 CDADHL CC(C)(CC(=O)[O-])NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000084144881 600788624 /nfs/dbraw/zinc/78/86/24/600788624.db2.gz IQLFXDNXVBFYIM-UHFFFAOYSA-N -2 3 288.303 1.511 20 0 CDADHL CCc1cccc(C(=O)N(C)C[C@H](C)C(=O)[O-])c1[O-] ZINC000830259885 601387776 /nfs/dbraw/zinc/38/77/76/601387776.db2.gz IQLSQOLCEDVMGZ-VIFPVBQESA-N -2 3 265.309 1.747 20 0 CDADHL CC(C)(CCC(=O)[O-])NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000819940503 604708916 /nfs/dbraw/zinc/70/89/16/604708916.db2.gz LOUYGNCTOAAEIN-UHFFFAOYSA-N -2 3 295.291 1.494 20 0 CDADHL O=C([N-]OC[C@@H]1CCOC1)c1n[n-]c2ccccc2c1=O ZINC000788274194 625945237 /nfs/dbraw/zinc/94/52/37/625945237.db2.gz NIKYNRRSIQHHOM-SECBINFHSA-N -2 3 289.291 1.033 20 0 CDADHL C[C@@H](C(=O)[O-])N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000908984014 628456375 /nfs/dbraw/zinc/45/63/75/628456375.db2.gz FGRUTJCJEVJHQF-ZETCQYMHSA-N -2 3 255.245 1.005 20 0 CDADHL COc1cc(C(=O)N(C)C[C@H](C)C(=O)[O-])cc(OC)c1[O-] ZINC000909153866 628535170 /nfs/dbraw/zinc/53/51/70/628535170.db2.gz GFRBIIMRWZHKDP-QMMMGPOBSA-N -2 3 297.307 1.202 20 0 CDADHL O=C([O-])CSCCNC(=O)Cc1ccc([O-])c(F)c1 ZINC000909231185 628580618 /nfs/dbraw/zinc/58/06/18/628580618.db2.gz HABDZFUDJRJMQP-UHFFFAOYSA-N -2 3 287.312 1.008 20 0 CDADHL O=C([O-])[C@]1(F)CCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000909306176 628623359 /nfs/dbraw/zinc/62/33/59/628623359.db2.gz DXAJQWQWFHAMCV-ZDUSSCGKSA-N -2 3 285.246 1.099 20 0 CDADHL CC(C)(O)CO[N-]C(=O)CCc1ccccc1C(=O)[O-] ZINC000911808970 629539911 /nfs/dbraw/zinc/53/99/11/629539911.db2.gz SBQBNCRUPLVXDY-UHFFFAOYSA-N -2 3 281.308 1.136 20 0 CDADHL CC(C)[C@H](CO)O[N-]C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000911810697 629542485 /nfs/dbraw/zinc/54/24/85/629542485.db2.gz DDWPMRNLXXLSOR-ZDUSSCGKSA-N -2 3 295.335 1.382 20 0 CDADHL Cc1ccc(CC(=O)[N-]OCCCC(=O)[O-])c(Cl)n1 ZINC001607769480 1164289863 /nfs/dbraw/zinc/28/98/63/1164289863.db2.gz VRSJFUBPLCFDEZ-UHFFFAOYSA-N -2 3 286.715 1.499 20 0 CDADHL Cc1nc(N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc(=O)[n-]1 ZINC001607967968 1164356296 /nfs/dbraw/zinc/35/62/96/1164356296.db2.gz PGBZJSGIFWKBAG-QWHCGFSZSA-N -2 3 299.330 1.795 20 0 CDADHL CCCO[N-]C(=O)C(C)(C)c1ccc(-c2nn[n-]n2)cc1 ZINC001590644329 1173480542 /nfs/dbraw/zinc/48/05/42/1173480542.db2.gz CWVNRFXSOKTKJZ-UHFFFAOYSA-N -2 3 289.339 1.602 20 0 CDADHL O=C([O-])c1ccn(CC(=O)Nc2cccc([O-])c2F)n1 ZINC001601385451 1174851714 /nfs/dbraw/zinc/85/17/14/1174851714.db2.gz LZMRRMQPPZLFDY-UHFFFAOYSA-N -2 3 279.227 1.065 20 0 CDADHL O=C([O-])C1(NC(=O)c2ccccc2[O-])CCSCC1 ZINC001601431164 1174869499 /nfs/dbraw/zinc/86/94/99/1174869499.db2.gz RFQNEMNLPNLRQZ-UHFFFAOYSA-N -2 3 281.333 1.472 20 0 CDADHL CC(C)(C)O[N-]C(=O)CCc1ocnc1C(=O)[O-] ZINC001603515021 1175560138 /nfs/dbraw/zinc/56/01/38/1175560138.db2.gz JGCFDQSOINVICU-UHFFFAOYSA-N -2 3 256.258 1.152 20 0 CDADHL CC[C@H](CNc1cc(C)cc(-c2nnn[n-]2)n1)C(=O)[O-] ZINC001604037622 1175728115 /nfs/dbraw/zinc/72/81/15/1175728115.db2.gz GUEKOUBZTCJAOL-MRVPVSSYSA-N -2 3 276.300 1.093 20 0 CDADHL C[C@@H](CC(=O)[O-])CC(=O)[N-]Oc1ccccc1F ZINC001604106742 1175764298 /nfs/dbraw/zinc/76/42/98/1175764298.db2.gz PPKVBEXLQBYSNJ-MRVPVSSYSA-N -2 3 255.245 1.737 20 0 CDADHL O=C([O-])COCCNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001606958531 1164038866 /nfs/dbraw/zinc/03/88/66/1164038866.db2.gz WRATYIUFLXHQKC-UHFFFAOYSA-N -2 3 297.702 1.033 20 0 CDADHL O=C([O-])COCCNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001606958531 1164038873 /nfs/dbraw/zinc/03/88/73/1164038873.db2.gz WRATYIUFLXHQKC-UHFFFAOYSA-N -2 3 297.702 1.033 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]C2CCC2)cc1C(=O)[O-] ZINC001608057121 1164397707 /nfs/dbraw/zinc/39/77/07/1164397707.db2.gz VVEJSKNSSRZIDZ-UHFFFAOYSA-N -2 3 259.283 1.117 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)C[C@H]1CCC(F)(F)C1 ZINC001601995375 1167813200 /nfs/dbraw/zinc/81/32/00/1167813200.db2.gz RDJCZYUJUKPZAU-MRVPVSSYSA-N -2 3 265.256 1.725 20 0 CDADHL CC[C@H](NC(=O)c1cc([O-])ccc1Cl)C(=O)[O-] ZINC000234023441 894407636 /nfs/dbraw/zinc/40/76/36/894407636.db2.gz VMIKCWKPYZUPAX-VIFPVBQESA-N -2 3 257.673 1.639 20 0 CDADHL CC[C@@H](NC(=O)c1cc([O-])ccc1Cl)C(=O)[O-] ZINC000233897253 915053034 /nfs/dbraw/zinc/05/30/34/915053034.db2.gz VMIKCWKPYZUPAX-SECBINFHSA-N -2 3 257.673 1.639 20 0 CDADHL CCCC[C@H](C)NC(=O)NCCCCP(=O)([O-])[O-] ZINC001193086306 923435280 /nfs/dbraw/zinc/43/52/80/923435280.db2.gz IYXBVEVOQYNRGV-JTQLQIEISA-N -2 3 280.305 1.822 20 0 CDADHL COc1ccc(C(=O)N2CC[C@H](C(=O)[O-])C[C@@H]2C)c([O-])c1 ZINC000234956420 932639878 /nfs/dbraw/zinc/63/98/78/932639878.db2.gz IRNXQYKLXFGWBL-UWVGGRQHSA-N -2 3 293.319 1.726 20 0 CDADHL COC(=O)[C@@H]1CCC[C@H](OCCCCP(=O)([O-])[O-])C1 ZINC001225018777 941815397 /nfs/dbraw/zinc/81/53/97/941815397.db2.gz HPSAZENNKDRXRU-MNOVXSKESA-N -2 3 294.284 1.693 20 0 CDADHL O=c1cc(-c2ccncc2)[n-]n1-c1cc(=O)[n-]cn1 ZINC001245910715 947841788 /nfs/dbraw/zinc/84/17/88/947841788.db2.gz MKDMNLRCUMOUFF-UHFFFAOYSA-N -2 3 255.237 1.136 20 0 CDADHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1cccc(Cl)c1F ZINC001362720551 971559307 /nfs/dbraw/zinc/55/93/07/971559307.db2.gz RFYMZHYAJCRYPP-UHFFFAOYSA-N -2 3 297.673 1.610 20 0 CDADHL CCc1cccc(C(=O)N(CC)[C@@H](C)C(=O)[O-])c1[O-] ZINC001593640189 953638902 /nfs/dbraw/zinc/63/89/02/953638902.db2.gz SIQSLNGWUUYFBW-VIFPVBQESA-N -2 3 265.309 1.890 20 0 CDADHL COC(=O)c1ccc(C(=O)Nc2cncc(C(=O)[O-])c2)[n-]1 ZINC001593876866 955683125 /nfs/dbraw/zinc/68/31/25/955683125.db2.gz LNWTXQLPKBUPPQ-UHFFFAOYSA-N -2 3 289.247 1.147 20 0 CDADHL CSc1ccc([O-])c(C(=O)N[C@H](C)CC(=O)[O-])c1 ZINC001328443648 957676712 /nfs/dbraw/zinc/67/67/12/957676712.db2.gz SHUOSGCIOUVKJB-SSDOTTSWSA-N -2 3 269.322 1.707 20 0 CDADHL O=C([O-])[C@@H]1CSCCN1C(=O)c1ccccc1[O-] ZINC000110293612 958387132 /nfs/dbraw/zinc/38/71/32/958387132.db2.gz VWGGKJUZGILRIE-VIFPVBQESA-N -2 3 267.306 1.034 20 0 CDADHL O=C([O-])CC1CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000126062633 958579960 /nfs/dbraw/zinc/57/99/60/958579960.db2.gz YYOWDABOBDEQMK-UHFFFAOYSA-N -2 3 279.292 1.425 20 0 CDADHL O=C([O-])[C@@H]1CC[C@H](NC(=O)c2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001574592185 962132840 /nfs/dbraw/zinc/13/28/40/962132840.db2.gz KPZSXBJOJCGBPJ-BDAKNGLRSA-N -2 3 291.307 1.043 20 0 CDADHL Cc1ccc(-c2nc(NC(=O)[C@H](C(=O)[O-])C(C)C)n[n-]2)o1 ZINC001605240506 972998823 /nfs/dbraw/zinc/99/88/23/972998823.db2.gz NYVJJMADMOZHFO-SECBINFHSA-N -2 3 292.295 1.668 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCC2(F)CCC2)o1 ZINC000702525870 977088135 /nfs/dbraw/zinc/08/81/35/977088135.db2.gz MZOVSQCNPSFDQW-UHFFFAOYSA-N -2 3 291.300 1.538 20 0 CDADHL CC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000710641659 977517924 /nfs/dbraw/zinc/51/79/24/977517924.db2.gz PMKXUKOHLSYUBD-SCZZXKLOSA-N -2 3 287.337 1.835 20 0 CDADHL CC[C@H](C)[C@H](OC(=O)c1cncc([O-])c1)C(=O)[O-] ZINC001594926836 982516660 /nfs/dbraw/zinc/51/66/60/982516660.db2.gz KXKVSHIOMAEGQQ-XVKPBYJWSA-N -2 3 253.254 1.443 20 0 CDADHL CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1conc1C)C(=O)[O-] ZINC001594951784 982661172 /nfs/dbraw/zinc/66/11/72/982661172.db2.gz BLXRMMUCGBHCPE-IONNQARKSA-N -2 3 290.341 1.151 20 0 CDADHL CCc1ccc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)c([O-])c1 ZINC001597498482 988045201 /nfs/dbraw/zinc/04/52/01/988045201.db2.gz FVYGHGGRAOXHJQ-AWEZNQCLSA-N -2 3 281.283 1.593 20 0 CDADHL CCc1ccc(C(=O)N[C@@]2(CC(=O)[O-])CCOC2)c([O-])c1 ZINC001597500843 988059826 /nfs/dbraw/zinc/05/98/26/988059826.db2.gz YDSIJFUDGOJEGQ-OAHLLOKOSA-N -2 3 293.319 1.318 20 0 CDADHL COc1cccc([O-])c1C(=O)N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001599680511 994973275 /nfs/dbraw/zinc/97/32/75/994973275.db2.gz VESJBRNSVHOZEL-VFZGTOFNSA-N -2 3 293.319 1.584 20 0 CDADHL COc1cc(C(=O)NC/C=C(/C)C(=O)[O-])cc(OC)c1[O-] ZINC001599354218 998150600 /nfs/dbraw/zinc/15/06/00/998150600.db2.gz LILHFXRSAGLXCS-YWEYNIOJSA-N -2 3 295.291 1.170 20 0 CDADHL Cc1c(C(=O)[O-])cc(CNC(=O)c2ccccc2[O-])n1C ZINC001599993116 1174333780 /nfs/dbraw/zinc/33/37/80/1174333780.db2.gz PAPYTMLQWVNFII-UHFFFAOYSA-N -2 3 288.303 1.667 20 0 CDADHL CCC[C@](C)([N-]S(=O)(=O)c1cnc(C)s1)C(=O)[O-] ZINC000233398006 342037998 /nfs/dbraw/zinc/03/79/98/342037998.db2.gz RJBZBXGRISPLTG-JTQLQIEISA-N -2 3 292.382 1.373 20 0 CDADHL Cc1cc(C(=O)[N-]c2n[n-]c(-c3ccccn3)n2)on1 ZINC000047343111 342098356 /nfs/dbraw/zinc/09/83/56/342098356.db2.gz UUTZDKITPQCNBR-UHFFFAOYSA-N -2 3 270.252 1.415 20 0 CDADHL C[C@@H](CSCC[N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000592450764 342693513 /nfs/dbraw/zinc/69/35/13/342693513.db2.gz PDUZDWGYGTZDTQ-QMMMGPOBSA-N -2 3 293.366 1.012 20 0 CDADHL Cc1nc(C)c(CCC(=O)[N-]OC(C)C)c(=O)[n-]1 ZINC000294222582 362084715 /nfs/dbraw/zinc/08/47/15/362084715.db2.gz UYOACXSPURHQRA-UHFFFAOYSA-N -2 3 253.302 1.188 20 0 CDADHL COCCS(=O)(=O)[N-]c1cc(Cl)ccc1[O-] ZINC000042809660 357081268 /nfs/dbraw/zinc/08/12/68/357081268.db2.gz KQRCNOLDPUUWQG-UHFFFAOYSA-N -2 3 265.718 1.434 20 0 CDADHL COc1ccc(C(=O)N2CCC[C@H](CC(=O)[O-])C2)c([O-])c1 ZINC000054294117 358710628 /nfs/dbraw/zinc/71/06/28/358710628.db2.gz PIXCSMRWMLFYJH-SNVBAGLBSA-N -2 3 293.319 1.728 20 0 CDADHL CC[C@@](C)(C[N-]S(=O)(=O)c1c(C)noc1C)C(=O)[O-] ZINC000217093984 358979487 /nfs/dbraw/zinc/97/94/87/358979487.db2.gz PIXBKQUBUNCRJJ-NSHDSACASA-N -2 3 290.341 1.071 20 0 CDADHL CC[C@H](CC[N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000297209007 200115184 /nfs/dbraw/zinc/11/51/84/200115184.db2.gz NGYXTRCOVKIGBA-SECBINFHSA-N -2 3 289.328 1.605 20 0 CDADHL CC(C)(NC(=O)c1ccc2ccccc2c1[O-])c1nnn[n-]1 ZINC000436592273 361537265 /nfs/dbraw/zinc/53/72/65/361537265.db2.gz SSBBQNFGZKZGEE-UHFFFAOYSA-N -2 3 297.318 1.724 20 0 CDADHL CC(C)(NC(=O)c1ccc2ccccc2c1[O-])c1nn[n-]n1 ZINC000436592273 361537268 /nfs/dbraw/zinc/53/72/68/361537268.db2.gz SSBBQNFGZKZGEE-UHFFFAOYSA-N -2 3 297.318 1.724 20 0 CDADHL O=C(NCc1ncccc1[O-])c1ccc([O-])cc1F ZINC000436997307 361635159 /nfs/dbraw/zinc/63/51/59/361635159.db2.gz FGEIVARDVABSMR-UHFFFAOYSA-N -2 3 262.240 1.562 20 0 CDADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2CCC[C@H]2F)c1 ZINC000414333058 241158767 /nfs/dbraw/zinc/15/87/67/241158767.db2.gz VVKZTJRZDUVRGA-SFYZADRCSA-N -2 3 293.341 1.615 20 0 CDADHL C[C@H]1CCCN(C(=O)c2ccc3n[n-]nc3c2)[C@H]1C(=O)[O-] ZINC000235708146 367644190 /nfs/dbraw/zinc/64/41/90/367644190.db2.gz MSFACTYRHQLHRC-QPUJVOFHSA-N -2 3 288.307 1.283 20 0 CDADHL C[C@@H](CC[N-]S(=O)(=O)c1ccccc1F)CC(=O)[O-] ZINC000275073612 371199288 /nfs/dbraw/zinc/19/92/88/371199288.db2.gz XBCNPSMTFTYKPE-VIFPVBQESA-N -2 3 289.328 1.605 20 0 CDADHL CC[C@@H](CC[N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000297186474 371966603 /nfs/dbraw/zinc/96/66/03/371966603.db2.gz LNBRLTVZWHEYCF-QMMMGPOBSA-N -2 3 261.299 1.059 20 0 CDADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(C)n(C)n2)c1 ZINC000342787526 374481729 /nfs/dbraw/zinc/48/17/29/374481729.db2.gz XDLDPNZVOZQYFA-UHFFFAOYSA-N -2 3 297.336 1.244 20 0 CDADHL O=C([O-])[C@H]1CCCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000263438420 131293322 /nfs/dbraw/zinc/29/33/22/131293322.db2.gz PCFAYRQJNICOMW-CYBMUJFWSA-N -2 3 289.331 1.960 20 0 CDADHL O=C([O-])CCNC(=O)c1ccc2c(c1[O-])CCCC2 ZINC000263577201 131298945 /nfs/dbraw/zinc/29/89/45/131298945.db2.gz RFYNKBGNDQYHPY-UHFFFAOYSA-N -2 3 263.293 1.476 20 0 CDADHL COc1cccc(C(=O)N([C@@H](C)C(=O)[O-])C2CC2)c1[O-] ZINC000263317244 140468815 /nfs/dbraw/zinc/46/88/15/140468815.db2.gz HYBONERSKUSMAQ-QMMMGPOBSA-N -2 3 279.292 1.479 20 0 CDADHL Cc1n[nH]c(C)c1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000349108156 154053561 /nfs/dbraw/zinc/05/35/61/154053561.db2.gz KVBGBSQUQKUMPV-PLNGDYQASA-N -2 3 288.307 1.628 20 0 CDADHL O=C([N-]c1n[n-]c(-c2ccco2)n1)c1cnns1 ZINC000077459864 177270932 /nfs/dbraw/zinc/27/09/32/177270932.db2.gz PARKEGOOLJZFIN-UHFFFAOYSA-N -2 3 262.254 1.169 20 0 CDADHL CCc1cc(=O)[n-]c(S[C@H](C)c2nc(C)cc(=O)[n-]2)n1 ZINC000188082083 424020143 /nfs/dbraw/zinc/02/01/43/424020143.db2.gz YYQWSVVLWHTPFI-MRVPVSSYSA-N -2 3 292.364 1.990 20 0 CDADHL Cc1csc(S(=O)(=O)[N-]C2([C@@H](C)C(=O)[O-])CC2)c1 ZINC000650427142 424607276 /nfs/dbraw/zinc/60/72/76/424607276.db2.gz ASVVICQKUYDWDX-QMMMGPOBSA-N -2 3 289.378 1.588 20 0 CDADHL CC(C)C[C@H](C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000514860984 270414358 /nfs/dbraw/zinc/41/43/58/270414358.db2.gz SRBKIICSMBQYBV-ZETCQYMHSA-N -2 3 292.382 1.554 20 0 CDADHL CCC(CC)([N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000556054642 290251511 /nfs/dbraw/zinc/25/15/11/290251511.db2.gz GDEZDMNDSMSMPI-UHFFFAOYSA-N -2 3 261.299 1.201 20 0 CDADHL COc1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)cn1 ZINC000556800956 290300648 /nfs/dbraw/zinc/30/06/48/290300648.db2.gz JHXHFDLVNHISGS-UHFFFAOYSA-N -2 3 298.295 1.736 20 0 CDADHL Cc1csc(S(=O)(=O)[N-]C[C@H](C(=O)[O-])C(C)C)c1 ZINC000562643467 293163532 /nfs/dbraw/zinc/16/35/32/293163532.db2.gz JSKKTQRIZAUDLU-VIFPVBQESA-N -2 3 291.394 1.692 20 0 CDADHL CN(CC(=O)[O-])c1c(Cl)cccc1-c1nnn[n-]1 ZINC001591039195 1173565685 /nfs/dbraw/zinc/56/56/85/1173565685.db2.gz YBJCHQHGSBTKOQ-UHFFFAOYSA-N -2 3 267.676 1.041 20 0 CDADHL CN(CC(=O)[O-])c1c(Cl)cccc1-c1nn[n-]n1 ZINC001591039195 1173565689 /nfs/dbraw/zinc/56/56/89/1173565689.db2.gz YBJCHQHGSBTKOQ-UHFFFAOYSA-N -2 3 267.676 1.041 20 0 CDADHL Cn1cnc([N-]C(=O)c2cc(F)c(F)c([O-])c2F)n1 ZINC000349412024 303016352 /nfs/dbraw/zinc/01/63/52/303016352.db2.gz LJMHCAOSPUNSMM-UHFFFAOYSA-N -2 3 272.186 1.190 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]CCC(C)C)cc1C(=O)[O-] ZINC000576752239 317200068 /nfs/dbraw/zinc/20/00/68/317200068.db2.gz YIZIBBRUCUZKKE-UHFFFAOYSA-N -2 3 275.326 1.611 20 0 CDADHL O=C([O-])[C@H](CNC(=O)c1ccccc1[O-])c1ccccc1 ZINC000061608492 526304080 /nfs/dbraw/zinc/30/40/80/526304080.db2.gz KFNARIOLKRALOG-CYBMUJFWSA-N -2 3 285.299 1.990 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc[nH]2)oc1C(=O)[O-] ZINC001600298283 1174439966 /nfs/dbraw/zinc/43/99/66/1174439966.db2.gz ZGWWCVGZUPTGSD-MRVPVSSYSA-N -2 3 298.320 1.654 20 0 CDADHL Cc1ccc(F)c([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c1 ZINC001600429665 1174473374 /nfs/dbraw/zinc/47/33/74/1174473374.db2.gz YOEWREVRHKOLGN-UHFFFAOYSA-N -2 3 289.328 1.987 20 0 CDADHL O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ncccc1[O-] ZINC001601633107 1174918371 /nfs/dbraw/zinc/91/83/71/1174918371.db2.gz FRCGYWKRQZQFQN-DTWKUNHWSA-N -2 3 264.281 1.617 20 0 CDADHL O=C([O-])C1=NO[C@@]2(CCN(Cc3ccc([O-])c(F)c3)C2)C1 ZINC001601747042 1174980491 /nfs/dbraw/zinc/98/04/91/1174980491.db2.gz XFKPFLZPNWRFIO-AWEZNQCLSA-N -2 3 294.282 1.337 20 0 CDADHL Cc1ncc(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)s1 ZINC000738883239 575973914 /nfs/dbraw/zinc/97/39/14/575973914.db2.gz HVIANYMTSKFMOL-UHFFFAOYSA-N -2 3 298.349 1.573 20 0 CDADHL O=C([O-])C1CCN(C(=O)c2cc3c(cc2[O-])OCO3)CC1 ZINC000740479327 576477241 /nfs/dbraw/zinc/47/72/41/576477241.db2.gz DDYDUUMSTSBWQM-UHFFFAOYSA-N -2 3 293.275 1.058 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)Cc1cncc2ccccc21 ZINC001601994795 1175103368 /nfs/dbraw/zinc/10/33/68/1175103368.db2.gz HLJKEZHHHYYKRK-UHFFFAOYSA-N -2 3 288.303 1.690 20 0 CDADHL O=C([O-])Cc1occc1C(=O)NCc1ccc([O-])c(F)c1 ZINC001602155461 1175145742 /nfs/dbraw/zinc/14/57/42/1175145742.db2.gz HXSOPAKRQPBTJU-UHFFFAOYSA-N -2 3 293.250 1.681 20 0 CDADHL COc1ccc([O-])c(C(=O)Nc2cc(C)[nH]c2C(=O)[O-])c1 ZINC000163393584 600250791 /nfs/dbraw/zinc/25/07/91/600250791.db2.gz MGPPRLKKXRHANC-UHFFFAOYSA-N -2 3 290.275 1.988 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]Cc2cccnc2)cc1C(=O)[O-] ZINC000833026957 601214090 /nfs/dbraw/zinc/21/40/90/601214090.db2.gz LTFKZDJHDNDUCT-UHFFFAOYSA-N -2 3 296.304 1.160 20 0 CDADHL Cc1[n-]ncc1S(=O)(=O)Oc1ccccc1NC(=O)[O-] ZINC000832848830 601226892 /nfs/dbraw/zinc/22/68/92/601226892.db2.gz NZAUZHNAYWCYRM-UHFFFAOYSA-N -2 3 297.292 1.576 20 0 CDADHL Cc1cc(=O)[n-]c(CN2CCC(CC(=O)[O-])CC2)n1 ZINC000700432720 602310648 /nfs/dbraw/zinc/31/06/48/602310648.db2.gz ADSKYRNDEKQPGC-UHFFFAOYSA-N -2 3 265.313 1.177 20 0 CDADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C[C@@H]1C=CCC1 ZINC000902987197 625729407 /nfs/dbraw/zinc/72/94/07/625729407.db2.gz FGBUOBQIFQRHMA-SSDOTTSWSA-N -2 3 288.350 1.086 20 0 CDADHL O=C([O-])[C@H](CC1CC1)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000909471564 619351284 /nfs/dbraw/zinc/35/12/84/619351284.db2.gz IFSNEXUZNHXFHJ-NSHDSACASA-N -2 3 281.283 1.443 20 0 CDADHL O=C([O-])C1CCN(C(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000908588465 628296819 /nfs/dbraw/zinc/29/68/19/628296819.db2.gz GVOSTMSOVJHSSJ-UHFFFAOYSA-N -2 3 281.283 1.397 20 0 CDADHL C[C@@H](CNC(=O)CCCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909201164 628564838 /nfs/dbraw/zinc/56/48/38/628564838.db2.gz CFQXWDYJVVBTBJ-VIFPVBQESA-N -2 3 283.299 1.691 20 0 CDADHL C[C@H]1[C@H](C(=O)[O-])CCN1Cc1c(F)ccc([O-])c1F ZINC001604638224 1163262619 /nfs/dbraw/zinc/26/26/19/1163262619.db2.gz VZPHEUOIRLSSGX-JGVFFNPUSA-N -2 3 271.263 1.965 20 0 CDADHL Cc1c(Cl)cnc(N[C@@H](C)CC(=O)[O-])c1-c1nnn[n-]1 ZINC001605492374 1163584711 /nfs/dbraw/zinc/58/47/11/1163584711.db2.gz PDDJROLLBWLPFO-YFKPBYRVSA-N -2 3 296.718 1.499 20 0 CDADHL Cc1c(Cl)cnc(N[C@@H](C)CC(=O)[O-])c1-c1nn[n-]n1 ZINC001605492374 1163584714 /nfs/dbraw/zinc/58/47/14/1163584714.db2.gz PDDJROLLBWLPFO-YFKPBYRVSA-N -2 3 296.718 1.499 20 0 CDADHL CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC001605753945 1163660686 /nfs/dbraw/zinc/66/06/86/1163660686.db2.gz FWYRXRVYWCREEL-VXNVDRBHSA-N -2 3 273.310 1.363 20 0 CDADHL O=C(/C=C\c1cc(C(=O)[O-])co1)[N-]OCc1ccccn1 ZINC001608283008 1164479712 /nfs/dbraw/zinc/47/97/12/1164479712.db2.gz ANKMPVHBLPEZQN-PLNGDYQASA-N -2 3 288.259 1.634 20 0 CDADHL O=C([O-])[C@]1(C(=O)Nc2ncccc2[O-])C[C@H]1c1ccccc1 ZINC001608567426 1164549261 /nfs/dbraw/zinc/54/92/61/1164549261.db2.gz UXNOEIMVKVFNRP-MEDUHNTESA-N -2 3 298.298 1.984 20 0 CDADHL O=C([O-])c1cc(C(=O)[N-]c2ncsc2C2CC2)on1 ZINC001608838148 1164657784 /nfs/dbraw/zinc/65/77/84/1164657784.db2.gz UKHUJZWSAWNTAP-UHFFFAOYSA-N -2 3 279.277 1.959 20 0 CDADHL O=C([O-])c1cc([N-]C(=O)c2ncoc2[C@@H]2CCCO2)on1 ZINC001608855737 1164664413 /nfs/dbraw/zinc/66/44/13/1164664413.db2.gz DUZNXMCYYWYYRW-ZETCQYMHSA-N -2 3 293.235 1.465 20 0 CDADHL CC(C)(F)C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001589311491 1173138183 /nfs/dbraw/zinc/13/81/83/1173138183.db2.gz PICAMRKPZBBRMM-UHFFFAOYSA-N -2 3 265.248 1.025 20 0 CDADHL CC(C)(F)C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001589311491 1173138187 /nfs/dbraw/zinc/13/81/87/1173138187.db2.gz PICAMRKPZBBRMM-UHFFFAOYSA-N -2 3 265.248 1.025 20 0 CDADHL CC(C)SCC(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001589761499 1173177226 /nfs/dbraw/zinc/17/72/26/1173177226.db2.gz UYYFUTGQAIJOAG-UHFFFAOYSA-N -2 3 293.352 1.418 20 0 CDADHL CC(C)SCC(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001589761499 1173177228 /nfs/dbraw/zinc/17/72/28/1173177228.db2.gz UYYFUTGQAIJOAG-UHFFFAOYSA-N -2 3 293.352 1.418 20 0 CDADHL Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)nc1 ZINC001592182470 1173826219 /nfs/dbraw/zinc/82/62/19/1173826219.db2.gz NJPIMFVTZWSOFJ-UHFFFAOYSA-N -2 3 296.290 1.528 20 0 CDADHL Cc1ccnc(NCC2(C(=O)[O-])CCC2)c1-c1nnn[n-]1 ZINC001592275824 1173843616 /nfs/dbraw/zinc/84/36/16/1173843616.db2.gz UBYCVVPJCISEEX-UHFFFAOYSA-N -2 3 288.311 1.237 20 0 CDADHL Cc1ccnc(NCC2(C(=O)[O-])CCC2)c1-c1nn[n-]n1 ZINC001592275824 1173843622 /nfs/dbraw/zinc/84/36/22/1173843622.db2.gz UBYCVVPJCISEEX-UHFFFAOYSA-N -2 3 288.311 1.237 20 0 CDADHL Cc1ccc(C(=O)N[C@H](CCF)C(=O)[O-])c([O-])c1 ZINC001600336418 1174447867 /nfs/dbraw/zinc/44/78/67/1174447867.db2.gz AHCZFWMSISTKJL-SECBINFHSA-N -2 3 255.245 1.243 20 0 CDADHL Cn1cc(/C=C2\C(=O)[N-]C(=O)c3ccccc32)cc1C(=O)[O-] ZINC001600947510 1174673038 /nfs/dbraw/zinc/67/30/38/1174673038.db2.gz VOWBFYQSISEZNT-SDQBBNPISA-N -2 3 296.282 1.534 20 0 CDADHL O=C([O-])c1cccc(CC(=O)[N-]OC2CCOCC2)c1 ZINC001601364425 1174845317 /nfs/dbraw/zinc/84/53/17/1174845317.db2.gz FUJGHIDRFMCISJ-UHFFFAOYSA-N -2 3 279.292 1.154 20 0 CDADHL O=C([O-])CC1(COC(=O)c2ccc([O-])cc2)CC1 ZINC001601921445 1175066701 /nfs/dbraw/zinc/06/67/01/1175066701.db2.gz BSVOFHKDCURRIW-UHFFFAOYSA-N -2 3 250.250 1.804 20 0 CDADHL CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cc(=O)[n-]cn2)C1 ZINC001603252891 1175527151 /nfs/dbraw/zinc/52/71/51/1175527151.db2.gz KVCUZFJSYYYHFD-SECBINFHSA-N -2 3 293.323 1.145 20 0 CDADHL C[C@@H]1CCc2c(=O)n(Cc3ccc(-c4nn[n-]n4)cc3)[n-]c21 ZINC001603880609 1175668515 /nfs/dbraw/zinc/66/85/15/1175668515.db2.gz GKGBYCAYWPNQOC-SKDRFNHKSA-N -2 3 296.334 1.611 20 0 CDADHL CC(C)OC(=O)c1cc(NC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)[n-]n1 ZINC001603907507 1175680348 /nfs/dbraw/zinc/68/03/48/1175680348.db2.gz HOAGFLRIMYJZGE-OCAPTIKFSA-N -2 3 295.295 1.024 20 0 CDADHL CC(C)OC(=O)c1cc(NC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)n[n-]1 ZINC001603907507 1175680351 /nfs/dbraw/zinc/68/03/51/1175680351.db2.gz HOAGFLRIMYJZGE-OCAPTIKFSA-N -2 3 295.295 1.024 20 0 CDADHL COCCCO[N-]C(=O)Cc1ccccc1C(=O)[O-] ZINC001606872067 1164021468 /nfs/dbraw/zinc/02/14/68/1164021468.db2.gz AUDLHILIQOLWAJ-UHFFFAOYSA-N -2 3 267.281 1.012 20 0 CDADHL COc1cc(C(=O)OCCCCC(=O)[O-])cc(OC)c1[O-] ZINC001607145925 1164122043 /nfs/dbraw/zinc/12/20/43/1164122043.db2.gz UBKLBOQXCDWEOL-UHFFFAOYSA-N -2 3 298.291 1.821 20 0 CDADHL Cc1cc(NC([O-])=NO[C@H]2CCCCO2)ncc1C(=O)[O-] ZINC001607690300 1164270673 /nfs/dbraw/zinc/27/06/73/1164270673.db2.gz DDLXRCNMHSFRFH-NSHDSACASA-N -2 3 295.295 1.668 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CCC1CCC1 ZINC000871994580 784800013 /nfs/dbraw/zinc/80/00/13/784800013.db2.gz YIHVWBISDJYGMI-UHFFFAOYSA-N -2 3 273.310 1.446 20 0 CDADHL COc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)c([O-])c1 ZINC000313757596 786128302 /nfs/dbraw/zinc/12/83/02/786128302.db2.gz HROPGLVFJVGUKK-ONGXEEELSA-N -2 3 293.319 1.584 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000871993127 786830454 /nfs/dbraw/zinc/83/04/54/786830454.db2.gz LIWIMDPLDKCCBU-UHFFFAOYSA-N -2 3 287.337 1.979 20 0 CDADHL CCCCC[C@@H]([N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000829932559 789761599 /nfs/dbraw/zinc/76/15/99/789761599.db2.gz KRFBBECVUDSULQ-SECBINFHSA-N -2 3 275.326 1.591 20 0 CDADHL O=C([O-])Cn1cc(Nc2cc([O-])c(F)cc2F)cn1 ZINC001176270046 914043160 /nfs/dbraw/zinc/04/31/60/914043160.db2.gz QGDZEMZKHDTGCD-UHFFFAOYSA-N -2 3 269.207 1.695 20 0 CDADHL CC1=C(OCCCCP(=O)([O-])[O-])C(=O)O[C@H]1C ZINC001225018732 911593637 /nfs/dbraw/zinc/59/36/37/911593637.db2.gz GPXDKZYWKBNMJW-QMMMGPOBSA-N -2 3 264.214 1.180 20 0 CDADHL CC(=O)c1cccc([N-]S(=O)(=O)CCCF)c1[O-] ZINC001189908916 921710827 /nfs/dbraw/zinc/71/08/27/921710827.db2.gz SFPQBYALFUKPSG-UHFFFAOYSA-N -2 3 275.301 1.696 20 0 CDADHL CCC1(CC)C[C@H]1C(=O)NCCCCP(=O)([O-])[O-] ZINC001181888596 917448234 /nfs/dbraw/zinc/44/82/34/917448234.db2.gz MQRKGFKLWVWSSR-JTQLQIEISA-N -2 3 277.301 1.887 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])[C@H]1C[C@H]1C(F)(F)F ZINC001182329301 917789685 /nfs/dbraw/zinc/78/96/85/917789685.db2.gz QKURNZAGIWNOPA-NKWVEPMBSA-N -2 3 289.190 1.259 20 0 CDADHL CCOC(=O)c1cnc(NC(=O)c2ccc([O-])cc2F)[n-]1 ZINC001186311579 919981476 /nfs/dbraw/zinc/98/14/76/919981476.db2.gz YOEOOCSUZVWPFI-UHFFFAOYSA-N -2 3 293.254 1.683 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])NCc1ccco1 ZINC001188189671 920891964 /nfs/dbraw/zinc/89/19/64/920891964.db2.gz JLFXMERSAYUHHY-UHFFFAOYSA-N -2 3 276.229 1.037 20 0 CDADHL CCOC(=O)CS(=O)(=O)[N-]c1cc([O-])cc(Cl)c1 ZINC001195975220 924774071 /nfs/dbraw/zinc/77/40/71/924774071.db2.gz YMMUIQHLQDQGMU-UHFFFAOYSA-N -2 3 293.728 1.350 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1ccc2c(c1)COC2 ZINC001198871559 925565489 /nfs/dbraw/zinc/56/54/89/925565489.db2.gz RQDXGHLNBIFZRX-UHFFFAOYSA-N -2 3 299.263 1.405 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])Nc1ccccc1F ZINC001202004275 926443602 /nfs/dbraw/zinc/44/36/02/926443602.db2.gz NJQHSDGXHBKJSJ-UHFFFAOYSA-N -2 3 290.231 1.905 20 0 CDADHL Cc1ncc(Nc2cnc(F)c(C(=O)[O-])c2)c(=O)[n-]1 ZINC001215105219 940857774 /nfs/dbraw/zinc/85/77/74/940857774.db2.gz PWXJGTCDGSTLEN-UHFFFAOYSA-N -2 3 264.216 1.467 20 0 CDADHL COC(=O)[C@@H](OCCP(=O)([O-])[O-])c1cccc(F)c1 ZINC001224605238 941774304 /nfs/dbraw/zinc/77/43/04/941774304.db2.gz GYWZGPQXKFSBRL-JTQLQIEISA-N -2 3 292.199 1.234 20 0 CDADHL CC[C@@H](CC(=O)OC)OCCCCP(=O)([O-])[O-] ZINC001225021793 941816519 /nfs/dbraw/zinc/81/65/19/941816519.db2.gz IMYHLJRKVAHJIZ-VIFPVBQESA-N -2 3 268.246 1.303 20 0 CDADHL CC1=C[C@@H](Oc2nc3ncnc-3c([S-])[n-]2)CC(=O)O1 ZINC001226780377 942068065 /nfs/dbraw/zinc/06/80/65/942068065.db2.gz IAJCPNHFFABTRX-ZCFIWIBFSA-N -2 3 278.293 1.240 20 0 CDADHL CC[C@@H]1CCCC[C@@H]1Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233934614 943693697 /nfs/dbraw/zinc/69/36/97/943693697.db2.gz MFHMHPZQJGNWEM-SCZZXKLOSA-N -2 3 262.313 1.994 20 0 CDADHL O=C([O-])Cc1cccc(NC([O-])=NO[C@H]2CCCCO2)c1 ZINC001611506531 971086887 /nfs/dbraw/zinc/08/68/87/971086887.db2.gz KDHNQNLZMKRDHJ-ZDUSSCGKSA-N -2 3 294.307 1.893 20 0 CDADHL O=C([O-])Cc1cccc(NC(=O)[N-]O[C@H]2CCCCO2)c1 ZINC001611506531 971086897 /nfs/dbraw/zinc/08/68/97/971086897.db2.gz KDHNQNLZMKRDHJ-ZDUSSCGKSA-N -2 3 294.307 1.893 20 0 CDADHL CC(=O)c1cccc(NC(=O)[C@@H](C)C(=O)[O-])c1[O-] ZINC001602773837 971507623 /nfs/dbraw/zinc/50/76/23/971507623.db2.gz JHJNZDVTEKXLNE-ZCFIWIBFSA-N -2 3 251.238 1.254 20 0 CDADHL O=C([O-])CCCC(=O)[N-]OCCOc1ccccc1 ZINC001595027768 951354970 /nfs/dbraw/zinc/35/49/70/951354970.db2.gz KXRYOVMLXVUJOT-UHFFFAOYSA-N -2 3 267.281 1.368 20 0 CDADHL O=C([O-])C(=O)COC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC001594822760 953917454 /nfs/dbraw/zinc/91/74/54/953917454.db2.gz IDLNIOAOJXDDRO-UHFFFAOYSA-N -2 3 298.201 1.311 20 0 CDADHL CC(C)(C)CN(CC(=O)[O-])C(=O)c1ccc(O)cc1[O-] ZINC000692546663 954699836 /nfs/dbraw/zinc/69/98/36/954699836.db2.gz BGTQQZNEYFZOEX-UHFFFAOYSA-N -2 3 281.308 1.671 20 0 CDADHL N[C@@H](CC(=O)[O-])c1noc(-c2cc(F)ccc2[O-])n1 ZINC001594659475 956519385 /nfs/dbraw/zinc/51/93/85/956519385.db2.gz AHQDHBLPXCITGX-ZETCQYMHSA-N -2 3 267.216 1.056 20 0 CDADHL CCOC(C)(C)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000159140125 959110154 /nfs/dbraw/zinc/11/01/54/959110154.db2.gz URCXAIONJLGKBT-UHFFFAOYSA-N -2 3 291.325 1.071 20 0 CDADHL CC(C)[C@@H](CNC(=O)c1ccc(O)cc1[O-])C(=O)[O-] ZINC000087478329 967578300 /nfs/dbraw/zinc/57/83/00/967578300.db2.gz FLFPYYRBZCOHTP-SNVBAGLBSA-N -2 3 267.281 1.184 20 0 CDADHL O=C([O-])C1=NO[C@H](C(=O)Nc2c([O-])cccc2Cl)C1 ZINC001594888295 970272897 /nfs/dbraw/zinc/27/28/97/970272897.db2.gz BKCXSIIVXJKHMQ-QMMMGPOBSA-N -2 3 284.655 1.214 20 0 CDADHL CC(C)[C@]1(C)C[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000397196768 972977466 /nfs/dbraw/zinc/97/74/66/972977466.db2.gz SFNWEGHKKZAXTH-SKDRFNHKSA-N -2 3 287.337 1.691 20 0 CDADHL CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694224336 976685827 /nfs/dbraw/zinc/68/58/27/976685827.db2.gz YVXOULICHYLIDQ-HTRCEHHLSA-N -2 3 259.283 1.055 20 0 CDADHL C[C@@]([N-]C(=O)C(F)(F)c1nccs1)(C(=O)[O-])C1CC1 ZINC001592994420 980204078 /nfs/dbraw/zinc/20/40/78/980204078.db2.gz XUHKRDRCLAJOBD-JTQLQIEISA-N -2 3 290.291 1.604 20 0 CDADHL CCC1([N-]S(=O)(=O)c2occc2C(=O)[O-])CC1 ZINC001595391972 980950013 /nfs/dbraw/zinc/95/00/13/980950013.db2.gz LRKJZLYPFTYNOL-UHFFFAOYSA-N -2 3 259.283 1.199 20 0 CDADHL CC[C@H](C)N(CC(=O)[O-])C(=O)c1cc2c(cc1[O-])OCO2 ZINC001594975688 982752052 /nfs/dbraw/zinc/75/20/52/982752052.db2.gz RAESERTYLGZCTN-QMMMGPOBSA-N -2 3 295.291 1.446 20 0 CDADHL CCc1ccc(C(=O)N(OC)[C@H](C)CC(=O)[O-])c([O-])c1 ZINC001597498361 988043838 /nfs/dbraw/zinc/04/38/38/988043838.db2.gz ALFAUSUVUCVSDS-SECBINFHSA-N -2 3 281.308 1.821 20 0 CDADHL CC(C)(C)N1CC[C@@](F)(C(=O)[N-]OCCCC(=O)[O-])C1 ZINC001589805617 988222396 /nfs/dbraw/zinc/22/23/96/988222396.db2.gz GYRTWMVNQUOXEE-ZDUSSCGKSA-N -2 3 290.335 1.112 20 0 CDADHL COCC1(S(=O)(=O)[N-]c2ccsc2C(=O)[O-])CC1 ZINC001599201272 997310330 /nfs/dbraw/zinc/31/03/30/997310330.db2.gz CMMVVYIXVSYENV-UHFFFAOYSA-N -2 3 291.350 1.367 20 0 CDADHL CC(C)C[C@@](C)(CNC(=O)c1c[n-]ncc1=O)C(=O)[O-] ZINC001573502716 1170676335 /nfs/dbraw/zinc/67/63/35/1170676335.db2.gz QANWMDVVLLUURP-ZDUSSCGKSA-N -2 3 281.312 1.049 20 0 CDADHL CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001573671782 1170727270 /nfs/dbraw/zinc/72/72/70/1170727270.db2.gz DZRHHAGDYMXTNW-RQJHMYQMSA-N -2 3 289.357 1.129 20 0 CDADHL CCOc1nc(NC(=O)c2ccc(NC(=O)[O-])cc2)n[n-]1 ZINC001573807644 1170784502 /nfs/dbraw/zinc/78/45/02/1170784502.db2.gz RKEYSWROPPSAFI-UHFFFAOYSA-N -2 3 291.267 1.546 20 0 CDADHL CCOc1nnc(NC(=O)c2ccc(NC(=O)[O-])cc2)[n-]1 ZINC001573807644 1170784508 /nfs/dbraw/zinc/78/45/08/1170784508.db2.gz RKEYSWROPPSAFI-UHFFFAOYSA-N -2 3 291.267 1.546 20 0 CDADHL CCOc1n[n-]c(NC(=O)c2ccc(NC(=O)[O-])cc2)n1 ZINC001573807644 1170784514 /nfs/dbraw/zinc/78/45/14/1170784514.db2.gz RKEYSWROPPSAFI-UHFFFAOYSA-N -2 3 291.267 1.546 20 0 CDADHL CCC(CC)([N-]S(=O)(=O)c1c(C)noc1C)C(=O)[O-] ZINC000094240526 342063663 /nfs/dbraw/zinc/06/36/63/342063663.db2.gz CSMUJYKCIYJUCI-UHFFFAOYSA-N -2 3 290.341 1.213 20 0 CDADHL O=C(c1ccc([O-])cc1F)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000163377173 539122583 /nfs/dbraw/zinc/12/25/83/539122583.db2.gz HFMWHEHSLQZDHN-QMMMGPOBSA-N -2 3 291.286 1.064 20 0 CDADHL O=C(c1ccc([O-])cc1F)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000163377173 539122584 /nfs/dbraw/zinc/12/25/84/539122584.db2.gz HFMWHEHSLQZDHN-QMMMGPOBSA-N -2 3 291.286 1.064 20 0 CDADHL O=C([O-])CCC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000082278334 342375446 /nfs/dbraw/zinc/37/54/46/342375446.db2.gz TUCYAMVPPHBONY-UHFFFAOYSA-N -2 3 252.152 1.276 20 0 CDADHL O=C([O-])CCC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000082278334 342375447 /nfs/dbraw/zinc/37/54/47/342375447.db2.gz TUCYAMVPPHBONY-UHFFFAOYSA-N -2 3 252.152 1.276 20 0 CDADHL COc1ccc(C(=O)NC[C@H](C)CC(=O)[O-])c([O-])c1 ZINC000211782548 345740796 /nfs/dbraw/zinc/74/07/96/345740796.db2.gz BUQQTTHQTIZYEJ-MRVPVSSYSA-N -2 3 267.281 1.241 20 0 CDADHL O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ncccc1[O-] ZINC000095157730 345761192 /nfs/dbraw/zinc/76/11/92/345761192.db2.gz JDIOXXKUXXXVMD-UHFFFAOYSA-N -2 3 282.263 1.220 20 0 CDADHL O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ncccc1[O-] ZINC000095157730 345761195 /nfs/dbraw/zinc/76/11/95/345761195.db2.gz JDIOXXKUXXXVMD-UHFFFAOYSA-N -2 3 282.263 1.220 20 0 CDADHL CC(C)(CCNC(=O)c1ccc2n[n-]nc2c1)C(=O)[O-] ZINC000261669346 535037271 /nfs/dbraw/zinc/03/72/71/535037271.db2.gz FSHFJHJHBAEIPZ-UHFFFAOYSA-N -2 3 276.296 1.189 20 0 CDADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@H](C)CC(=O)[O-] ZINC000274943027 365863685 /nfs/dbraw/zinc/86/36/85/365863685.db2.gz RIBREALVOGIBMF-MRVPVSSYSA-N -2 3 275.301 1.276 20 0 CDADHL CC(C)(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccco1 ZINC000276869438 366193106 /nfs/dbraw/zinc/19/31/06/366193106.db2.gz CPSOWYKTGRNFMZ-SECBINFHSA-N -2 3 289.353 1.837 20 0 CDADHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C1CCCC1 ZINC000070306390 412596437 /nfs/dbraw/zinc/59/64/37/412596437.db2.gz KPIGUVUEJVLHQN-MRVPVSSYSA-N -2 3 287.337 1.835 20 0 CDADHL COc1ccc(C(=O)N[C@@H](C(=O)[O-])C(C)C)c([O-])c1 ZINC000019479699 356486531 /nfs/dbraw/zinc/48/65/31/356486531.db2.gz KCXGLNXPEHBJFC-LLVKDONJSA-N -2 3 267.281 1.240 20 0 CDADHL Cc1ccc(C(=O)N(C)C[C@H](C)C(=O)[O-])c([O-])c1 ZINC000042694976 357076082 /nfs/dbraw/zinc/07/60/82/357076082.db2.gz IPXIQHGJZFMRBB-VIFPVBQESA-N -2 3 251.282 1.493 20 0 CDADHL CC[C@H](CNC(=O)c1ccc(C)cc1[O-])C(=O)[O-] ZINC000087483043 482861537 /nfs/dbraw/zinc/86/15/37/482861537.db2.gz ZQNKAJCQKLQHHJ-SECBINFHSA-N -2 3 251.282 1.541 20 0 CDADHL O=C([O-])C[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000054293440 361367327 /nfs/dbraw/zinc/36/73/27/361367327.db2.gz MIWLFBFXLZSSAG-JTQLQIEISA-N -2 3 263.293 1.719 20 0 CDADHL O=C(N=c1cc(CC2CC2)[nH][nH]1)c1ccc([O-])cc1[O-] ZINC000636363142 364136441 /nfs/dbraw/zinc/13/64/41/364136441.db2.gz LVTYDZFQKOMMMD-UHFFFAOYSA-N -2 3 273.292 1.448 20 0 CDADHL O=C([O-])[C@H](CC(F)F)[N-]S(=O)(=O)c1cccs1 ZINC000275370975 193013146 /nfs/dbraw/zinc/01/31/46/193013146.db2.gz YRHOHAUGEJSXCA-YFKPBYRVSA-N -2 3 285.293 1.135 20 0 CDADHL O=C([N-]O[C@H]1CCCCO1)C(=O)c1ccc([O-])cc1 ZINC000280805544 367543622 /nfs/dbraw/zinc/54/36/22/367543622.db2.gz PYATWPQIMJJEGP-NSHDSACASA-N -2 3 265.265 1.149 20 0 CDADHL Cc1nc(C)c(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)s1 ZINC000282907396 368097932 /nfs/dbraw/zinc/09/79/32/368097932.db2.gz RPFTYEXZZHHJHZ-UHFFFAOYSA-N -2 3 290.366 1.046 20 0 CDADHL Cc1nc(C)c(CCC(=O)[N-]OC2CCCC2)c(=O)[n-]1 ZINC000135142751 369640144 /nfs/dbraw/zinc/64/01/44/369640144.db2.gz IZXNBPRTMVPJRR-UHFFFAOYSA-N -2 3 279.340 1.310 20 0 CDADHL CC[C@@](C)(C[N-]S(=O)(=O)c1cc(C)cs1)C(=O)[O-] ZINC000565289868 370410632 /nfs/dbraw/zinc/41/06/32/370410632.db2.gz RVQHQCVMEIIKMM-NSHDSACASA-N -2 3 291.394 1.836 20 0 CDADHL COc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)c([O-])c1 ZINC000263376646 370542203 /nfs/dbraw/zinc/54/22/03/370542203.db2.gz WRBPQETXOGHBGA-ONGXEEELSA-N -2 3 293.319 1.726 20 0 CDADHL CO[C@@H](C)CS(=O)(=O)[N-]c1cccc([O-])c1F ZINC000193337718 372696152 /nfs/dbraw/zinc/69/61/52/372696152.db2.gz QWKOVVMOMBELBW-ZETCQYMHSA-N -2 3 263.290 1.308 20 0 CDADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2c(C)noc2C)c1 ZINC000342787496 374481520 /nfs/dbraw/zinc/48/15/20/374481520.db2.gz XIOZEYHWNSYVEY-UHFFFAOYSA-N -2 3 298.320 1.806 20 0 CDADHL Cc1csc(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])c1 ZINC000519684640 391686171 /nfs/dbraw/zinc/68/61/71/391686171.db2.gz FMWXIZMTXSSBSJ-UHFFFAOYSA-N -2 3 277.367 1.446 20 0 CDADHL C[C@H](NC(=O)c1ccc2c(c1[O-])CCCC2)C(=O)[O-] ZINC000263455006 131293863 /nfs/dbraw/zinc/29/38/63/131293863.db2.gz UHXNOHAISGRPAA-QMMMGPOBSA-N -2 3 263.293 1.474 20 0 CDADHL CC(C)c1cc(C(=O)[N-]c2n[n-]c(SCCO)n2)on1 ZINC000268685392 132049253 /nfs/dbraw/zinc/04/92/53/132049253.db2.gz HHBPTSXTQNCBMN-UHFFFAOYSA-N -2 3 297.340 1.253 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@]23C[C@H]2CCC3)oc1C(=O)[O-] ZINC000663428483 412192457 /nfs/dbraw/zinc/19/24/57/412192457.db2.gz SUOMXJHPWNWYKR-PRHODGIISA-N -2 3 285.321 1.507 20 0 CDADHL O=C([O-])[C@@H]1C[C@@H](O)[C@H]([N-]c2nc(-c3ccccc3)no2)C1 ZINC000662898207 413677910 /nfs/dbraw/zinc/67/79/10/413677910.db2.gz ZTTGQJVUKYCYRG-HBNTYKKESA-N -2 3 289.291 1.373 20 0 CDADHL C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000037418147 173195331 /nfs/dbraw/zinc/19/53/31/173195331.db2.gz YCDDQPMLGBWCON-YFKPBYRVSA-N -2 3 281.692 1.231 20 0 CDADHL CCCCC[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000663419861 414242968 /nfs/dbraw/zinc/24/29/68/414242968.db2.gz LQHBDHJEACKCBJ-UHFFFAOYSA-N -2 3 275.326 1.755 20 0 CDADHL Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@](C)(C(=O)[O-])C2)n1 ZINC000518200406 260355508 /nfs/dbraw/zinc/35/55/08/260355508.db2.gz JFTLLBYFPVBKST-HZMBPMFUSA-N -2 3 279.340 1.738 20 0 CDADHL CC[C@H](CSC)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000571675065 294485476 /nfs/dbraw/zinc/48/54/76/294485476.db2.gz ORQOSJWORFRQEO-MRVPVSSYSA-N -2 3 293.366 1.398 20 0 CDADHL Cc1[n-][nH]c(=O)c1CCN=c1nc(C2CCCC2)[n-]s1 ZINC000572949793 294721401 /nfs/dbraw/zinc/72/14/01/294721401.db2.gz GFSNBOKHWGQTNC-JTQLQIEISA-N -2 3 293.396 1.542 20 0 CDADHL CCO[N-]C(=O)C1(c2cc(F)cc(-c3nnn[n-]3)c2)CC1 ZINC001590819291 1173521137 /nfs/dbraw/zinc/52/11/37/1173521137.db2.gz PFCXZZLHDDDIQB-UHFFFAOYSA-N -2 3 291.286 1.105 20 0 CDADHL CCO[N-]C(=O)C1(c2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001590819291 1173521145 /nfs/dbraw/zinc/52/11/45/1173521145.db2.gz PFCXZZLHDDDIQB-UHFFFAOYSA-N -2 3 291.286 1.105 20 0 CDADHL C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)c1ccc2n[n-]nc2c1 ZINC000164606856 482507419 /nfs/dbraw/zinc/50/74/19/482507419.db2.gz KYBWGUYMXHPDHZ-FZMZJTMJSA-N -2 3 288.307 1.331 20 0 CDADHL CS(=O)(=O)[N-]c1ccc(Br)cc1[O-] ZINC000095720717 525217213 /nfs/dbraw/zinc/21/72/13/525217213.db2.gz XCWPTVIPDXMPSS-UHFFFAOYSA-N -2 3 266.116 1.526 20 0 CDADHL N[C@@H](CCC(=O)[O-])c1nc(-c2ccc([O-])cc2F)no1 ZINC001601175747 1174772789 /nfs/dbraw/zinc/77/27/89/1174772789.db2.gz AAJXPNJPHJGFRX-VIFPVBQESA-N -2 3 281.243 1.446 20 0 CDADHL O=C([O-])[C@H](CNC(=O)c1cn[n-]n1)C1CCCCCC1 ZINC001601452992 1174874679 /nfs/dbraw/zinc/87/46/79/1174874679.db2.gz DSIYCQAFEMBCBU-SNVBAGLBSA-N -2 3 280.328 1.206 20 0 CDADHL O=C([O-])[C@@H]1CCCN(C(=O)c2cc3c(cc2[O-])OCO3)C1 ZINC000739581762 576260736 /nfs/dbraw/zinc/26/07/36/576260736.db2.gz ZPAUIJXNLXJZNN-MRVPVSSYSA-N -2 3 293.275 1.058 20 0 CDADHL Cc1nc(C(C)C)[n-]c(=O)c1C(=O)[N-]O[C@@H]1CCCCO1 ZINC000747377005 576867509 /nfs/dbraw/zinc/86/75/09/576867509.db2.gz JHAXVGVYNRTTTE-SNVBAGLBSA-N -2 3 295.339 1.802 20 0 CDADHL CSc1nc(=O)[n-]c(C)c1C(=O)[N-]O[C@H]1CCCCO1 ZINC000747377828 576867731 /nfs/dbraw/zinc/86/77/31/576867731.db2.gz UBYKFOUNYPNJAQ-QMMMGPOBSA-N -2 3 299.352 1.401 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)C[C@H]1CCC2(CCC2)O1 ZINC001601995307 1175105320 /nfs/dbraw/zinc/10/53/20/1175105320.db2.gz OYQOJCFMKLLVTI-SNVBAGLBSA-N -2 3 271.313 1.391 20 0 CDADHL COCCOCc1nc(=O)c2c(C)c(C(=O)[O-])sc2[n-]1 ZINC000831767357 600807299 /nfs/dbraw/zinc/80/72/99/600807299.db2.gz MGFHHMZSWRDEPV-UHFFFAOYSA-N -2 3 298.320 1.154 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]C2(C3CC3)CC2)cc1C(=O)[O-] ZINC000833028984 602175323 /nfs/dbraw/zinc/17/53/23/602175323.db2.gz VFBHRBXSLKONIP-UHFFFAOYSA-N -2 3 285.321 1.507 20 0 CDADHL O=C([O-])CCN(CC1CC1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000908878016 628408201 /nfs/dbraw/zinc/40/82/01/628408201.db2.gz OGDUVBUJNRUHAQ-UHFFFAOYSA-N -2 3 295.310 1.787 20 0 CDADHL C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000909998702 628808297 /nfs/dbraw/zinc/80/82/97/628808297.db2.gz FDJDMCWOESJLGR-SWLSCSKDSA-N -2 3 295.310 1.833 20 0 CDADHL O=C([O-])[C@H]1CCCCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000910045042 628841336 /nfs/dbraw/zinc/84/13/36/628841336.db2.gz UUOROEKIQQHKOP-GFCCVEGCSA-N -2 3 295.310 1.930 20 0 CDADHL CC(C)(CO)O[N-]C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000911811990 629544589 /nfs/dbraw/zinc/54/45/89/629544589.db2.gz GFNCQNKDUIUMOG-UHFFFAOYSA-N -2 3 273.329 1.230 20 0 CDADHL COC(C)(C)[C@@H](C)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001606652405 1163944669 /nfs/dbraw/zinc/94/46/69/1163944669.db2.gz ACXQJRFUXZZRGN-SSDOTTSWSA-N -2 3 291.325 1.070 20 0 CDADHL O=C([O-])[C@H]1CCCN1c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001606962339 1164040212 /nfs/dbraw/zinc/04/02/12/1164040212.db2.gz QFNWQACCAPOQMX-SECBINFHSA-N -2 3 295.249 1.198 20 0 CDADHL COc1cccc([O-])c1C(=O)N[C@@H](C)/C=C\C(=O)[O-] ZINC001607326381 1164149430 /nfs/dbraw/zinc/14/94/30/1164149430.db2.gz FMCUGKIZGYMPOV-UAPHAKCISA-N -2 3 265.265 1.160 20 0 CDADHL Cc1[nH]nc(S(=O)(=O)[N-]CCC2CC=CC2)c1C(=O)[O-] ZINC001607938042 1164345261 /nfs/dbraw/zinc/34/52/61/1164345261.db2.gz HOJGUEDISWXXAQ-UHFFFAOYSA-N -2 3 299.352 1.051 20 0 CDADHL Cn1ccnc1-c1noc([N-]Cc2ccc(C(=O)[O-])o2)n1 ZINC001608129017 1164419611 /nfs/dbraw/zinc/41/96/11/1164419611.db2.gz ITMLSPSAFXEDKG-UHFFFAOYSA-N -2 3 289.251 1.373 20 0 CDADHL Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ncccc1[O-] ZINC001592107605 1173801604 /nfs/dbraw/zinc/80/16/04/1173801604.db2.gz FHCYIXUKWJQYKG-UHFFFAOYSA-N -2 3 296.290 1.528 20 0 CDADHL Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ncccc1[O-] ZINC001592107605 1173801608 /nfs/dbraw/zinc/80/16/08/1173801608.db2.gz FHCYIXUKWJQYKG-UHFFFAOYSA-N -2 3 296.290 1.528 20 0 CDADHL O=C([N-]Oc1cccc(-c2nnn[n-]2)c1)C1(C2CC2)CC1 ZINC001593170683 1174030228 /nfs/dbraw/zinc/03/02/28/1174030228.db2.gz KMTSTFGTNHQGCI-UHFFFAOYSA-N -2 3 285.307 1.467 20 0 CDADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)C1(C2CC2)CC1 ZINC001593170683 1174030234 /nfs/dbraw/zinc/03/02/34/1174030234.db2.gz KMTSTFGTNHQGCI-UHFFFAOYSA-N -2 3 285.307 1.467 20 0 CDADHL Cc1nc(C)c(CC(=O)OCCCCCC(=O)[O-])c(=O)[n-]1 ZINC001600691058 1174566239 /nfs/dbraw/zinc/56/62/39/1174566239.db2.gz ANGCBMFJMCHIMR-UHFFFAOYSA-N -2 3 296.323 1.530 20 0 CDADHL Cc1nc[n-]c(=O)c1CCC(=O)NCC(C)(C)CC(=O)[O-] ZINC001600733115 1174582149 /nfs/dbraw/zinc/58/21/49/1174582149.db2.gz MBMCXCPQUKNVJS-UHFFFAOYSA-N -2 3 295.339 1.040 20 0 CDADHL O=C([O-])c1ccn(CCCC(=O)[N-]OC/C=C/Cl)n1 ZINC001601273562 1174820704 /nfs/dbraw/zinc/82/07/04/1174820704.db2.gz GCMWRLJRMKLRKA-GORDUTHDSA-N -2 3 287.703 1.162 20 0 CDADHL O=C([O-])c1occc1CN1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC001602591058 1175312037 /nfs/dbraw/zinc/31/20/37/1175312037.db2.gz SGSGHYOOGVXLEV-VIFPVBQESA-N -2 3 293.279 1.446 20 0 CDADHL C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1ccc(N)cc1[O-] ZINC001607445867 1164184034 /nfs/dbraw/zinc/18/40/34/1164184034.db2.gz KWXZMMTXQLWUHW-RKDXNWHRSA-N -2 3 278.308 1.300 20 0 CDADHL Cc1cc(=O)[n-]c(CN2CCc3occc3[C@H]2C(=O)[O-])n1 ZINC000863472389 790278397 /nfs/dbraw/zinc/27/83/97/790278397.db2.gz DNEGSDSWTKBVEM-ZDUSSCGKSA-N -2 3 289.291 1.268 20 0 CDADHL CC(C)(O)c1nnc([N-]Cc2cc(C(=O)[O-])co2)o1 ZINC001609681761 1165038774 /nfs/dbraw/zinc/03/87/74/1165038774.db2.gz PSPFZUYRKFMKOM-UHFFFAOYSA-N -2 3 267.241 1.200 20 0 CDADHL O=C(CCc1ocnc1C(=O)[O-])[N-]OC1CCCCC1 ZINC001610660256 1165399766 /nfs/dbraw/zinc/39/97/66/1165399766.db2.gz FZCKKXTVHGEFOC-UHFFFAOYSA-N -2 3 282.296 1.686 20 0 CDADHL Cc1cnccc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176236120 914000952 /nfs/dbraw/zinc/00/09/52/914000952.db2.gz CKECPJAKTWXIGB-UHFFFAOYSA-N -2 3 272.260 1.952 20 0 CDADHL C[C@@H](C(=O)NCCCCP(=O)([O-])[O-])c1cccnc1 ZINC001177795304 914935133 /nfs/dbraw/zinc/93/51/33/914935133.db2.gz AJOIKUDISKPDSD-SNVBAGLBSA-N -2 3 286.268 1.259 20 0 CDADHL O=C(C[C@@H]1CCCCO1)NCCCCP(=O)([O-])[O-] ZINC001180413708 916354712 /nfs/dbraw/zinc/35/47/12/916354712.db2.gz LYFVHUBLACLPOR-JTQLQIEISA-N -2 3 279.273 1.020 20 0 CDADHL Cc1cc(C(=O)NCCCCP(=O)([O-])[O-])c(C)n1C ZINC001192442135 923095617 /nfs/dbraw/zinc/09/56/17/923095617.db2.gz TUBITZZIWAZSCU-UHFFFAOYSA-N -2 3 288.284 1.330 20 0 CDADHL Cn1ccnc1S(=O)(=O)[N-]c1cc([O-])c(F)cc1F ZINC001193600356 923831161 /nfs/dbraw/zinc/83/11/61/923831161.db2.gz XHXXDZTYJFDXTI-UHFFFAOYSA-N -2 3 289.263 1.205 20 0 CDADHL O=S(=O)(Cc1cccnc1)[N-]c1cc(F)ccc1[O-] ZINC001197457971 925154011 /nfs/dbraw/zinc/15/40/11/925154011.db2.gz MWHBVTXNXLLEOW-UHFFFAOYSA-N -2 3 282.296 1.868 20 0 CDADHL O=C([N-]c1cnoc1)c1nc2ccc(Cl)[n-]c-2n1 ZINC001155170799 937644698 /nfs/dbraw/zinc/64/46/98/937644698.db2.gz MAUPRLAJYQKDDX-UHFFFAOYSA-N -2 3 263.644 1.852 20 0 CDADHL Cc1ccc2sc(C(=O)[N-]n3c(=O)[n-][nH]c3=O)cc2c1 ZINC001160073240 938767054 /nfs/dbraw/zinc/76/70/54/938767054.db2.gz IJKFBZXTIXYROW-UHFFFAOYSA-N -2 3 290.304 1.596 20 0 CDADHL Cc1nc(Nc2cccc(CC(=O)[O-])c2)cc(=O)[n-]1 ZINC001210067918 940660429 /nfs/dbraw/zinc/66/04/29/940660429.db2.gz DMJJRFYSMPGHQY-UHFFFAOYSA-N -2 3 259.265 1.861 20 0 CDADHL O=P([O-])([O-])CCOC[C@H]1CCC(c2ccccc2)=NO1 ZINC001224601453 941774345 /nfs/dbraw/zinc/77/43/45/941774345.db2.gz HHHGOWBOCDCMDM-GFCCVEGCSA-N -2 3 299.263 1.764 20 0 CDADHL CCCC(=O)[C@H](CCC)OCCP(=O)([O-])[O-] ZINC001224606248 941775150 /nfs/dbraw/zinc/77/51/50/941775150.db2.gz NGFKEQUNJPNTDP-JTQLQIEISA-N -2 3 252.247 1.719 20 0 CDADHL C[C@H](Oc1nc2ncnc-2c([S-])[n-]1)c1cncnc1 ZINC001226781432 942069896 /nfs/dbraw/zinc/06/98/96/942069896.db2.gz BCQGITPQLOHXSO-LURJTMIESA-N -2 3 274.309 1.572 20 0 CDADHL O=c1nc2nc(Br)[n-]c2c(O[C@@H]2C=CCC2)[n-]1 ZINC001227595607 942193208 /nfs/dbraw/zinc/19/32/08/942193208.db2.gz BDAFEJMXLWANRE-RXMQYKEDSA-N -2 3 297.112 1.918 20 0 CDADHL CCC[C@H](NC(=O)c1ccc(F)c([O-])c1)c1nnn[n-]1 ZINC001362207702 971014222 /nfs/dbraw/zinc/01/42/22/971014222.db2.gz VJMMNIHCUVOABO-VIFPVBQESA-N -2 3 279.275 1.316 20 0 CDADHL CCC[C@H](NC(=O)c1ccc(F)c([O-])c1)c1nn[n-]n1 ZINC001362207702 971014233 /nfs/dbraw/zinc/01/42/33/971014233.db2.gz VJMMNIHCUVOABO-VIFPVBQESA-N -2 3 279.275 1.316 20 0 CDADHL C[C@@H]1CCC[C@@H](Oc2[n-]c(=O)nc3cn[n-]c32)[C@H]1C ZINC001233939038 943694924 /nfs/dbraw/zinc/69/49/24/943694924.db2.gz GNNXRJQZTXFVJI-KHQFGBGNSA-N -2 3 262.313 1.850 20 0 CDADHL C[C@H]1CC(Oc2[n-]c(=O)nc3cn[n-]c32)C[C@H](C)C1 ZINC001233939211 943695325 /nfs/dbraw/zinc/69/53/25/943695325.db2.gz IHVFVYJPIMKFCO-HTQZYQBOSA-N -2 3 262.313 1.850 20 0 CDADHL O=P([O-])([O-])Oc1ccc(O[C@@H]2CN3CCC2CC3)cc1 ZINC001234331782 943804473 /nfs/dbraw/zinc/80/44/73/943804473.db2.gz KBHXAGFPRMJQIQ-CYBMUJFWSA-N -2 3 299.263 1.631 20 0 CDADHL Cc1cc(C(=O)[O-])cc(-c2cncc(-c3nnn[n-]3)c2)c1 ZINC001243179464 947047199 /nfs/dbraw/zinc/04/71/99/947047199.db2.gz WDJUCNICAWNPEG-UHFFFAOYSA-N -2 3 281.275 1.935 20 0 CDADHL Cc1cc(C(=O)[O-])cc(-c2cncc(-c3nn[n-]n3)c2)c1 ZINC001243179464 947047210 /nfs/dbraw/zinc/04/72/10/947047210.db2.gz WDJUCNICAWNPEG-UHFFFAOYSA-N -2 3 281.275 1.935 20 0 CDADHL Nc1ccc(-c2cc(=O)n(-c3cc(=O)[n-]cn3)[n-]2)cc1 ZINC001245936142 947854808 /nfs/dbraw/zinc/85/48/08/947854808.db2.gz GREYMKLIGXIFON-UHFFFAOYSA-N -2 3 269.264 1.323 20 0 CDADHL COc1cccc(C(=O)Nc2cncc(C(=O)[O-])c2)c1[O-] ZINC000062946485 948966738 /nfs/dbraw/zinc/96/67/38/948966738.db2.gz DRNQSWKNUVJKMD-UHFFFAOYSA-N -2 3 288.259 1.746 20 0 CDADHL O=C([O-])c1ccnc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000126039397 949260010 /nfs/dbraw/zinc/26/00/10/949260010.db2.gz WNFQLMVJUHVDMW-UHFFFAOYSA-N -2 3 274.232 1.443 20 0 CDADHL C[C@H]1CCN(C(=O)c2c([O-])cccc2O)C[C@H]1C(=O)[O-] ZINC000693495718 954762938 /nfs/dbraw/zinc/76/29/38/954762938.db2.gz LPAVCCRXKIVXSF-DTWKUNHWSA-N -2 3 279.292 1.281 20 0 CDADHL CCOC(=O)c1cnc(NC(=O)c2ccc(F)c([O-])c2)[n-]1 ZINC001363385116 972128939 /nfs/dbraw/zinc/12/89/39/972128939.db2.gz VVKGNCGDUZEWSU-UHFFFAOYSA-N -2 3 293.254 1.683 20 0 CDADHL CCOC(=O)c1c[n-]c(NC(=O)c2ccc(F)c([O-])c2)n1 ZINC001363385116 972128942 /nfs/dbraw/zinc/12/89/42/972128942.db2.gz VVKGNCGDUZEWSU-UHFFFAOYSA-N -2 3 293.254 1.683 20 0 CDADHL COc1ccc([O-])c(-c2nc([C@@H](C)C(=O)[O-])no2)c1 ZINC001594106471 958471504 /nfs/dbraw/zinc/47/15/04/958471504.db2.gz VVKBJXPJFUBHEL-ZCFIWIBFSA-N -2 3 264.237 1.639 20 0 CDADHL C[C@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@@H](C(=O)[O-])C1 ZINC000125523457 958567741 /nfs/dbraw/zinc/56/77/41/958567741.db2.gz OTDIKGPPULBHND-WCBMZHEXSA-N -2 3 279.292 1.423 20 0 CDADHL O=C([O-])c1cc(C(=O)[N-]c2ccncc2F)no1 ZINC000232111437 960244462 /nfs/dbraw/zinc/24/44/62/960244462.db2.gz ACMAYVAKSPBMNK-UHFFFAOYSA-N -2 3 251.173 1.159 20 0 CDADHL O=C([O-])CC1(CN2Cc3nc(C4CC4)[n-]c(=O)c3C2)CC1 ZINC001571036551 960542426 /nfs/dbraw/zinc/54/24/26/960542426.db2.gz UOYAPEPDBVZSFA-UHFFFAOYSA-N -2 3 289.335 1.630 20 0 CDADHL CC(C)[C@H](CNC(=O)c1cccc2n[n-]nc21)C(=O)[O-] ZINC001588830266 961702903 /nfs/dbraw/zinc/70/29/03/961702903.db2.gz UFVQXWIUOQZWST-VIFPVBQESA-N -2 3 276.296 1.045 20 0 CDADHL CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000062869451 967544750 /nfs/dbraw/zinc/54/47/50/967544750.db2.gz VMRHPKCUYCSKHH-HNNXBMFYSA-N -2 3 293.319 1.815 20 0 CDADHL CC(C)c1ccc(C(=O)NCC[C@H](O)C(=O)[O-])c([O-])c1 ZINC001591942756 976472694 /nfs/dbraw/zinc/47/26/94/976472694.db2.gz IDGJLUADNZEPJB-NSHDSACASA-N -2 3 281.308 1.081 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@H]2CCSC2)c1 ZINC000694156848 976671164 /nfs/dbraw/zinc/67/11/64/976671164.db2.gz SSWZJABYJRWOBK-SSDOTTSWSA-N -2 3 291.350 1.009 20 0 CDADHL CC[C@@](C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)OC ZINC000694175808 976676542 /nfs/dbraw/zinc/67/65/42/976676542.db2.gz JHNQHZKAIMRDDX-NSHDSACASA-N -2 3 291.325 1.071 20 0 CDADHL CC[C@H](C)n1ncc([N-]S(=O)(=O)CCC(=O)[O-])c1C ZINC001595026722 979136762 /nfs/dbraw/zinc/13/67/62/979136762.db2.gz KZUIATNFRIFMGH-QMMMGPOBSA-N -2 3 289.357 1.379 20 0 CDADHL CC[C@@H](OC(=O)c1ccc(NC(=O)OC)c([O-])c1)C(=O)[O-] ZINC001595351241 980655738 /nfs/dbraw/zinc/65/57/38/980655738.db2.gz ALUCXVVDPGFTCD-SNVBAGLBSA-N -2 3 297.263 1.591 20 0 CDADHL CCOc1ccc(CCC(=O)[N-]OCCCC(=O)[O-])cc1 ZINC001597095630 986694033 /nfs/dbraw/zinc/69/40/33/986694033.db2.gz HINHELGJZHXOEG-UHFFFAOYSA-N -2 3 295.335 1.931 20 0 CDADHL CCc1ccc(C(=O)NCC2(C(=O)[O-])CC2)c([O-])c1 ZINC001597500886 988061363 /nfs/dbraw/zinc/06/13/63/988061363.db2.gz AXYFTQWBDRLTSB-UHFFFAOYSA-N -2 3 263.293 1.549 20 0 CDADHL CC(C)(C)CN(CC(=O)[O-])Cc1ccc(C(=O)[O-])o1 ZINC001589780068 988146846 /nfs/dbraw/zinc/14/68/46/988146846.db2.gz IQFJDUIAOGTRBQ-UHFFFAOYSA-N -2 3 269.297 1.911 20 0 CDADHL CN(Cc1nc(=O)c2sccc2[n-]1)[C@@H](C(=O)[O-])C1CC1 ZINC001598538298 992867554 /nfs/dbraw/zinc/86/75/54/992867554.db2.gz NNGZRRXIDBNQMN-SNVBAGLBSA-N -2 3 293.348 1.692 20 0 CDADHL C[C@@](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)(C(=O)[O-])C1CC1 ZINC001593146916 993947667 /nfs/dbraw/zinc/94/76/67/993947667.db2.gz UXQRMORYZAFVMS-AWEZNQCLSA-N -2 3 291.307 1.043 20 0 CDADHL CC[C@H](OC(=O)c1n[n-]c2c1cccc2OC)C(=O)[O-] ZINC001605121407 1163459679 /nfs/dbraw/zinc/45/96/79/1163459679.db2.gz ZJQZXJWMVMITQP-QMMMGPOBSA-N -2 3 278.264 1.592 20 0 CDADHL CON(C(=O)c1cc(C)ccc1[O-])[C@H](C)CC(=O)[O-] ZINC001599314977 997482517 /nfs/dbraw/zinc/48/25/17/997482517.db2.gz ZKAQQOCDAPXXGY-SECBINFHSA-N -2 3 267.281 1.567 20 0 CDADHL COC(=O)c1cnc(SCc2cc(C(=O)[O-])no2)[n-]1 ZINC001573935482 1170833230 /nfs/dbraw/zinc/83/32/30/1170833230.db2.gz SSNJXRGUSBSJHG-UHFFFAOYSA-N -2 3 283.265 1.175 20 0 CDADHL Cc1n[n-]cc1C(=O)N=c1nc(CC(C)C)[n-]s1 ZINC000618346652 349441768 /nfs/dbraw/zinc/44/17/68/349441768.db2.gz BWQBKQSNWNUGKP-UHFFFAOYSA-N -2 3 265.342 1.442 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])c(F)c1F ZINC000629292319 361815219 /nfs/dbraw/zinc/81/52/19/361815219.db2.gz IDFDEDNLNVVVMA-SSDOTTSWSA-N -2 3 293.291 1.415 20 0 CDADHL CC(C)(C)[C@H](NC(=O)c1ccc2n[n-]nc2c1)C(=O)[O-] ZINC000035389672 539138651 /nfs/dbraw/zinc/13/86/51/539138651.db2.gz PTDKFFIITGJPNE-SNVBAGLBSA-N -2 3 276.296 1.187 20 0 CDADHL COC(=O)c1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)o1 ZINC000619864673 349938988 /nfs/dbraw/zinc/93/89/88/349938988.db2.gz UWUMMWULMVKRFF-HYXAFXHYSA-N -2 3 290.231 1.430 20 0 CDADHL Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])c([O-])c1 ZINC000085321252 179015026 /nfs/dbraw/zinc/01/50/26/179015026.db2.gz IQVJZRDMMVSUKL-KOLCDFICSA-N -2 3 263.293 1.684 20 0 CDADHL CCC[C@@H](NC(=O)c1ccc(OC)cc1[O-])c1nnn[n-]1 ZINC000092424843 180383561 /nfs/dbraw/zinc/38/35/61/180383561.db2.gz ILQVWQREVMYEMO-SNVBAGLBSA-N -2 3 291.311 1.185 20 0 CDADHL CCC[C@@H](NC(=O)c1ccc(OC)cc1[O-])c1nn[n-]n1 ZINC000092424843 180383565 /nfs/dbraw/zinc/38/35/65/180383565.db2.gz ILQVWQREVMYEMO-SNVBAGLBSA-N -2 3 291.311 1.185 20 0 CDADHL O=c1cc(C2CCC2)[n-]n1-c1cn[n-]c(=O)c1Cl ZINC000634587352 356467693 /nfs/dbraw/zinc/46/76/93/356467693.db2.gz LTNHCRMLZZUYTJ-UHFFFAOYSA-N -2 3 266.688 1.728 20 0 CDADHL C[C@@H]([C@H]([N-]S(=O)(=O)c1ccco1)C(=O)[O-])C1CC1 ZINC000558686783 357870575 /nfs/dbraw/zinc/87/05/75/357870575.db2.gz VFGFVDTUQRUJML-XCBNKYQSSA-N -2 3 273.310 1.057 20 0 CDADHL C[C@H]1CCN(S(=O)(=O)[N-]c2cc(F)ccc2[O-])C1 ZINC000408140161 358173559 /nfs/dbraw/zinc/17/35/59/358173559.db2.gz QSPKKYJVCTYFAU-QMMMGPOBSA-N -2 3 274.317 1.530 20 0 CDADHL CCC[C@@H](C[N-]S(=O)(=O)c1cc(C)cs1)C(=O)[O-] ZINC000560481823 359660313 /nfs/dbraw/zinc/66/03/13/359660313.db2.gz WALZUEKKQXODIY-VIFPVBQESA-N -2 3 291.394 1.836 20 0 CDADHL CC(C)(CO)O[N-]C(=O)c1c(F)ccc([O-])c1F ZINC000297305116 200141619 /nfs/dbraw/zinc/14/16/19/200141619.db2.gz VBIRTFINPLZIEP-UHFFFAOYSA-N -2 3 261.224 1.103 20 0 CDADHL COc1ccc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c([O-])c1 ZINC000062912888 360030508 /nfs/dbraw/zinc/03/05/08/360030508.db2.gz ZWEKBVIALBLELQ-CQSZACIVSA-N -2 3 279.292 1.338 20 0 CDADHL Cc1ncc(S(=O)(=O)[N-]CCCCCC(=O)[O-])s1 ZINC000230275613 360280579 /nfs/dbraw/zinc/28/05/79/360280579.db2.gz CANDPSGWDWXKPD-UHFFFAOYSA-N -2 3 292.382 1.375 20 0 CDADHL COc1ccc([O-])c(C(=O)N[C@H](C)[C@@H](C)C(=O)[O-])c1 ZINC000132571752 361247721 /nfs/dbraw/zinc/24/77/21/361247721.db2.gz FMYALXYCCVCGQI-HTQZYQBOSA-N -2 3 267.281 1.240 20 0 CDADHL C[C@@H]1CCN(C(=O)c2ccc3n[n-]nc3c2)[C@@H](C(=O)[O-])C1 ZINC000125249371 361266397 /nfs/dbraw/zinc/26/63/97/361266397.db2.gz ZOENBFDLVVIQPP-PRHODGIISA-N -2 3 288.307 1.283 20 0 CDADHL COC(=O)c1ccnc(-c2nc3ccc([O-])cc3c(=O)[n-]2)c1 ZINC000436929861 361611916 /nfs/dbraw/zinc/61/19/16/361611916.db2.gz WLZYVBTWSGLIAV-UHFFFAOYSA-N -2 3 297.270 1.890 20 0 CDADHL O=C([O-])CC[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000340452452 370956631 /nfs/dbraw/zinc/95/66/31/370956631.db2.gz RMYXWYPKWOPMJS-UHFFFAOYSA-N -2 3 281.692 1.232 20 0 CDADHL Cc1cccc(C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1[O-] ZINC000263362822 370540534 /nfs/dbraw/zinc/54/05/34/370540534.db2.gz SJCXTYPMKWYGGP-ONGXEEELSA-N -2 3 277.320 1.883 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@H]2CCCS2)c1 ZINC000566177164 370636162 /nfs/dbraw/zinc/63/61/62/370636162.db2.gz PEQMWLCZVDPBNB-MRVPVSSYSA-N -2 3 291.350 1.152 20 0 CDADHL CC[C@](C)([N-]S(=O)(=O)c1cc(C)cs1)C(=O)[O-] ZINC000581009451 372785775 /nfs/dbraw/zinc/78/57/75/372785775.db2.gz NTGIUPFSOCHRTE-JTQLQIEISA-N -2 3 277.367 1.588 20 0 CDADHL CSc1nc([N-]S(=O)(=O)Cc2ccccc2)n[n-]1 ZINC000342737411 374425132 /nfs/dbraw/zinc/42/51/32/374425132.db2.gz ZVGYYIUOYSQTON-UHFFFAOYSA-N -2 3 284.366 1.469 20 0 CDADHL O=C(/C=C\c1cncc([O-])c1)Nc1ncccc1[O-] ZINC000492529399 253239943 /nfs/dbraw/zinc/23/99/43/253239943.db2.gz GQRKAUMRNLVXMO-ARJAWSKDSA-N -2 3 257.249 1.540 20 0 CDADHL O=C(Nc1ccncc1[O-])c1c[n-]c2ccccc2c1=O ZINC000109889051 391394560 /nfs/dbraw/zinc/39/45/60/391394560.db2.gz GQLBZLZCGONEPJ-UHFFFAOYSA-N -2 3 281.271 1.881 20 0 CDADHL O=C(NCCCc1cc(=O)[nH][n-]1)c1c(F)ccc([O-])c1F ZINC000647718269 391501304 /nfs/dbraw/zinc/50/13/04/391501304.db2.gz GQBIVDOVWSYXMV-UHFFFAOYSA-N -2 3 297.261 1.056 20 0 CDADHL O=S(=O)(Cc1n[n-]c(-c2cccs2)n1)c1ncc[n-]1 ZINC000195047644 392038119 /nfs/dbraw/zinc/03/81/19/392038119.db2.gz LCFTWPSSWALAJG-UHFFFAOYSA-N -2 3 295.349 1.230 20 0 CDADHL O=S(=O)(Cc1nnc(-c2cccs2)[n-]1)c1ncc[n-]1 ZINC000195047644 392038124 /nfs/dbraw/zinc/03/81/24/392038124.db2.gz LCFTWPSSWALAJG-UHFFFAOYSA-N -2 3 295.349 1.230 20 0 CDADHL O=S(=O)(Cc1nc(-c2cccs2)n[n-]1)c1ncc[n-]1 ZINC000195047644 392038130 /nfs/dbraw/zinc/03/81/30/392038130.db2.gz LCFTWPSSWALAJG-UHFFFAOYSA-N -2 3 295.349 1.230 20 0 CDADHL Cc1oc(S(=O)(=O)[N-][C@H](C)C(C)C)cc1C(=O)[O-] ZINC000645942586 393417255 /nfs/dbraw/zinc/41/72/55/393417255.db2.gz NQOWEDOMSAPTIL-SSDOTTSWSA-N -2 3 275.326 1.609 20 0 CDADHL C[C@H]1SCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000386580825 398076890 /nfs/dbraw/zinc/07/68/90/398076890.db2.gz ZSLIVDUZRCEDMW-RQJHMYQMSA-N -2 3 291.350 1.150 20 0 CDADHL O=C(N=c1ccc([O-])n[n-]1)c1ccccc1OC1CC1 ZINC000343744986 152287312 /nfs/dbraw/zinc/28/73/12/152287312.db2.gz VXLWMNGXLJBARM-UHFFFAOYSA-N -2 3 271.276 1.398 20 0 CDADHL CCCC[C@@H](NC(=O)c1cc(OC)ccc1[O-])C(=O)[O-] ZINC000035410296 172180935 /nfs/dbraw/zinc/18/09/35/172180935.db2.gz MGLSRFXXAZANFC-LLVKDONJSA-N -2 3 281.308 1.774 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@]23C[C@H]2CCC3)c1 ZINC000656717687 413596142 /nfs/dbraw/zinc/59/61/42/413596142.db2.gz KTWMIOKPPKXNNS-LDYMZIIASA-N -2 3 271.294 1.199 20 0 CDADHL CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1ncccc1[O-] ZINC000663116578 413956987 /nfs/dbraw/zinc/95/69/87/413956987.db2.gz QJHWLXRYXCQNQX-MRVPVSSYSA-N -2 3 252.270 1.473 20 0 CDADHL O=C([O-])[C@]12COC[C@H]1CN(Cc1cccc([O-])c1Cl)C2 ZINC000665345680 414089166 /nfs/dbraw/zinc/08/91/66/414089166.db2.gz ZNYYGOCCTIRXOS-QMTHXVAHSA-N -2 3 297.738 1.579 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CCC[C@@](C)(C(=O)[O-])C2)n1 ZINC000652482811 424484164 /nfs/dbraw/zinc/48/41/64/424484164.db2.gz WKBJWZPNIJFTKT-CQSZACIVSA-N -2 3 279.340 1.431 20 0 CDADHL COc1ccc([O-])c(C(=O)NC2(CC(=O)[O-])CC2)c1 ZINC000398375914 270354099 /nfs/dbraw/zinc/35/40/99/270354099.db2.gz RCRSIBPUJLCEEX-UHFFFAOYSA-N -2 3 265.265 1.138 20 0 CDADHL O=C([O-])c1csc(S(=O)(=O)[N-]CC2CC=CC2)c1 ZINC000530153416 271117215 /nfs/dbraw/zinc/11/72/15/271117215.db2.gz UUEOFMQXCGAUPQ-UHFFFAOYSA-N -2 3 287.362 1.691 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCC2)o1 ZINC000564927126 293458361 /nfs/dbraw/zinc/45/83/61/293458361.db2.gz TWJFRAFWOMACFK-UHFFFAOYSA-N -2 3 287.337 1.654 20 0 CDADHL C[C@@H](CC(=O)[N-]OCCCC(=O)[O-])[C@@H]1CCCO1 ZINC001604068113 1175746616 /nfs/dbraw/zinc/74/66/16/1175746616.db2.gz KJFRTHAXHZYGGJ-UWVGGRQHSA-N -2 3 259.302 1.104 20 0 CDADHL Cc1ccc(C(=O)N[C@@H](C(=O)[O-])C2CCOCC2)c([O-])c1 ZINC000668307922 482367770 /nfs/dbraw/zinc/36/77/70/482367770.db2.gz PNPUQYXDIKMRQL-CYBMUJFWSA-N -2 3 293.319 1.310 20 0 CDADHL O=C([O-])c1coc(COC(=O)c2cncc([O-])c2)c1 ZINC000740270647 576455527 /nfs/dbraw/zinc/45/55/27/576455527.db2.gz OANJCTRXHQFGOQ-UHFFFAOYSA-N -2 3 263.205 1.435 20 0 CDADHL COCCO[N-]C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000749016551 576932395 /nfs/dbraw/zinc/93/23/95/576932395.db2.gz IVDLPGKYFUVBEF-UHFFFAOYSA-N -2 3 294.336 1.905 20 0 CDADHL O=C([O-])c1cnc(C=Cc2cnc3ccccn23)[n-]c1=O ZINC000752888333 577132589 /nfs/dbraw/zinc/13/25/89/577132589.db2.gz YFWLUCSFSGZBPC-SNAWJCMRSA-N -2 3 282.259 1.699 20 0 CDADHL COc1cc(C(=O)NCCCC(=O)[O-])cc(OC)c1[O-] ZINC000820759062 598050485 /nfs/dbraw/zinc/05/04/85/598050485.db2.gz DGUFVPNQFJXATD-UHFFFAOYSA-N -2 3 283.280 1.004 20 0 CDADHL Cc1nc([N-]C(=O)c2cccc[n+]2[O-])sc1C(=O)[O-] ZINC000833002155 601383265 /nfs/dbraw/zinc/38/32/65/601383265.db2.gz PDHAQHFPHGQCMP-UHFFFAOYSA-N -2 3 279.277 1.035 20 0 CDADHL O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ncccc2[O-])C1 ZINC000833188109 601386360 /nfs/dbraw/zinc/38/63/60/601386360.db2.gz LGUXFWQURICGGD-IUCAKERBSA-N -2 3 264.281 1.617 20 0 CDADHL O=C([O-])C[C@@H](NC(=O)c1cc2c(cc1[O-])OCO2)C1CC1 ZINC000833198883 601564514 /nfs/dbraw/zinc/56/45/14/601564514.db2.gz KFEJPSHQMKHVGK-SECBINFHSA-N -2 3 293.275 1.104 20 0 CDADHL C[C@]1(NC(=O)c2ccc(O)cc2[O-])CCCC[C@@H]1C(=O)[O-] ZINC000833567065 604963916 /nfs/dbraw/zinc/96/39/16/604963916.db2.gz FWPWEVVAMMADAP-ABAIWWIYSA-N -2 3 293.319 1.861 20 0 CDADHL O=C([O-])c1cc(C=Cc2ccc(-c3nnn[n-]3)cc2)ncn1 ZINC000826461085 607813107 /nfs/dbraw/zinc/81/31/07/607813107.db2.gz FSENBPYJRRTFDF-UTCJRWHESA-N -2 3 294.274 1.525 20 0 CDADHL O=C([O-])c1cc(C=Cc2ccc(-c3nn[n-]n3)cc2)ncn1 ZINC000826461085 607813108 /nfs/dbraw/zinc/81/31/08/607813108.db2.gz FSENBPYJRRTFDF-UTCJRWHESA-N -2 3 294.274 1.525 20 0 CDADHL CC1(C)C[C@]1(C)C[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000902989726 625735497 /nfs/dbraw/zinc/73/54/97/625735497.db2.gz LYTZMJJAWUHUJD-GFCCVEGCSA-N -2 3 287.337 1.692 20 0 CDADHL Cc1ccncc1NC(=O)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001592279105 1173842585 /nfs/dbraw/zinc/84/25/85/1173842585.db2.gz HMNILUHLIHYWDT-UHFFFAOYSA-N -2 3 296.290 1.528 20 0 CDADHL Cc1n[nH]c(C(=O)NCc2ccc([O-])c(F)c2)c1[O-] ZINC001595590571 1174207936 /nfs/dbraw/zinc/20/79/36/1174207936.db2.gz SXXZZDANCLDAHP-UHFFFAOYSA-N -2 3 265.244 1.198 20 0 CDADHL Cc1ccc(C(=O)Nc2cc(C(=O)[O-])n(C)n2)c([O-])c1C ZINC001600343121 1174450074 /nfs/dbraw/zinc/45/00/74/1174450074.db2.gz UVCDRHPSBLEDBR-UHFFFAOYSA-N -2 3 289.291 1.693 20 0 CDADHL CCCO[N-]C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001609216948 1164849505 /nfs/dbraw/zinc/84/95/05/1164849505.db2.gz SCGHDHFGDBQVSQ-VIFPVBQESA-N -2 3 291.311 1.092 20 0 CDADHL CCOC(=O)c1cc(NC(=O)C[C@@H](C)CC(=O)[O-])[n-]n1 ZINC001610021253 1165187983 /nfs/dbraw/zinc/18/79/83/1165187983.db2.gz BTJVSEUVCYAUBA-SSDOTTSWSA-N -2 3 283.284 1.026 20 0 CDADHL CCOC(=O)c1cc(NC(=O)C[C@@H](C)CC(=O)[O-])n[n-]1 ZINC001610021253 1165187985 /nfs/dbraw/zinc/18/79/85/1165187985.db2.gz BTJVSEUVCYAUBA-SSDOTTSWSA-N -2 3 283.284 1.026 20 0 CDADHL CCNC(=O)[N-][N-]S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000049152381 797589330 /nfs/dbraw/zinc/58/93/30/797589330.db2.gz COHBHXHLRRZRFG-UHFFFAOYSA-N -2 3 291.760 1.161 20 0 CDADHL O=Nc1c(=O)[n-]c(=O)[nH]c1Nc1ccc(F)c(C(=O)[O-])c1 ZINC001175217963 913498032 /nfs/dbraw/zinc/49/80/32/913498032.db2.gz ZCXKMSKCDBHZFB-UHFFFAOYSA-N -2 3 294.198 1.867 20 0 CDADHL O=C([O-])Cn1cc([N-]c2nc3ccc(F)cc3o2)cn1 ZINC001176264820 914030699 /nfs/dbraw/zinc/03/06/99/914030699.db2.gz YEUPPAGNTFBXCJ-UHFFFAOYSA-N -2 3 276.227 1.992 20 0 CDADHL Cc1nc(Nc2csc(C(=O)[O-])c2)cc(=O)[n-]1 ZINC001176437157 914099758 /nfs/dbraw/zinc/09/97/58/914099758.db2.gz RDAAECUJAMOOKS-UHFFFAOYSA-N -2 3 251.267 1.994 20 0 CDADHL O=C(Cc1nn[n-]n1)Nc1c(Cl)ccc([O-])c1Cl ZINC001176842519 914308952 /nfs/dbraw/zinc/30/89/52/914308952.db2.gz LNNOTYABJXLEFB-UHFFFAOYSA-N -2 3 288.094 1.393 20 0 CDADHL CCC(=O)[N-][N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000007409855 906143871 /nfs/dbraw/zinc/14/38/71/906143871.db2.gz XOWVQOWGXSTXCN-UHFFFAOYSA-N -2 3 262.718 1.060 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1cnc(C2CC2)o1 ZINC001185229022 919486315 /nfs/dbraw/zinc/48/63/15/919486315.db2.gz NOGGWXRGMXMELP-UHFFFAOYSA-N -2 3 288.240 1.240 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])Oc1ccccc1 ZINC001194267436 924139869 /nfs/dbraw/zinc/13/98/69/924139869.db2.gz WLWDMLIGTDKGSK-UHFFFAOYSA-N -2 3 273.225 1.733 20 0 CDADHL C[Si](C)(C)CCS(=O)(=O)[N-]c1ncccc1[O-] ZINC001195040274 924441048 /nfs/dbraw/zinc/44/10/48/924441048.db2.gz CPQXYYVHWVFICI-UHFFFAOYSA-N -2 3 274.418 1.867 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1cccnc1C1CC1 ZINC001195568402 924668101 /nfs/dbraw/zinc/66/81/01/924668101.db2.gz WUPGGXPJXWADFY-UHFFFAOYSA-N -2 3 298.279 1.647 20 0 CDADHL O=C(NCCCc1cc(=O)[nH][n-]1)c1c([O-])cccc1Cl ZINC000854486152 928215015 /nfs/dbraw/zinc/21/50/15/928215015.db2.gz ORRUFVDMTKVFEH-UHFFFAOYSA-N -2 3 295.726 1.432 20 0 CDADHL C[C@@H](CC[N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000129254744 929905188 /nfs/dbraw/zinc/90/51/88/929905188.db2.gz HDYMJWXCVVBRRP-ZETCQYMHSA-N -2 3 292.744 1.124 20 0 CDADHL COC(=O)c1ccc(C(=O)Nc2nc(Cl)ccc2[O-])[n-]1 ZINC000816426294 930264893 /nfs/dbraw/zinc/26/48/93/930264893.db2.gz CKIQUYKBANSJDL-UHFFFAOYSA-N -2 3 295.682 1.808 20 0 CDADHL O=C([O-])[C@@]1(NC(=O)Cc2ccc([O-])c(F)c2)CCSC1 ZINC000909347222 939397274 /nfs/dbraw/zinc/39/72/74/939397274.db2.gz BZNHCJPPUFDQJF-CYBMUJFWSA-N -2 3 299.323 1.150 20 0 CDADHL O=P([O-])([O-])CCOC[C@@H]1COc2cscc2O1 ZINC001224601602 941774767 /nfs/dbraw/zinc/77/47/67/941774767.db2.gz INUXJNCIQBJEJD-SSDOTTSWSA-N -2 3 280.238 1.082 20 0 CDADHL COc1cccc(OC[C@H](C)OCCP(=O)([O-])[O-])c1 ZINC001224601704 941774808 /nfs/dbraw/zinc/77/48/08/941774808.db2.gz JUVYVFKMKKEKFF-JTQLQIEISA-N -2 3 290.252 1.657 20 0 CDADHL C[C@@H](COCCP(=O)([O-])[O-])OCc1ccccc1 ZINC001224606324 941775839 /nfs/dbraw/zinc/77/58/39/941775839.db2.gz NXKFFFQSBLQQQL-NSHDSACASA-N -2 3 274.253 1.786 20 0 CDADHL [S-]c1[n-]c(OCCOC2CCCC2)nc2ncnc1-2 ZINC001226781504 942070607 /nfs/dbraw/zinc/07/06/07/942070607.db2.gz COKAHSPHMZSHAK-UHFFFAOYSA-N -2 3 280.353 1.980 20 0 CDADHL CC[C@@H](C)Oc1[n-]c(=O)nc2nc(Br)[n-]c21 ZINC001227594483 942191952 /nfs/dbraw/zinc/19/19/52/942191952.db2.gz NIGJNWPCFCALBJ-SCSAIBSYSA-N -2 3 287.117 1.998 20 0 CDADHL C[C@@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1cccnc1Cl ZINC001233934334 943693442 /nfs/dbraw/zinc/69/34/42/943693442.db2.gz JJRADVZDGUKTPB-ZCFIWIBFSA-N -2 3 291.698 1.835 20 0 CDADHL O=c1nc2cn[n-]c2c(O[C@H]2CCCc3cccnc32)[n-]1 ZINC001233934396 943693980 /nfs/dbraw/zinc/69/39/80/943693980.db2.gz LAIGJUROLXXBGL-JTQLQIEISA-N -2 3 283.291 1.498 20 0 CDADHL COc1ccc([C@@H](C)Oc2[n-]c(=O)nc3cn[n-]c32)cc1 ZINC001233940233 943696455 /nfs/dbraw/zinc/69/64/55/943696455.db2.gz UGMMUQOHKZCIBR-MRVPVSSYSA-N -2 3 286.291 1.795 20 0 CDADHL CC[C@@H](OC(=O)c1cc(F)cc2n[n-]nc21)C(=O)[O-] ZINC001589580904 949014756 /nfs/dbraw/zinc/01/47/56/949014756.db2.gz YMJMWPFSVAYRNI-MRVPVSSYSA-N -2 3 267.216 1.117 20 0 CDADHL O=C([O-])c1ccc(C(=O)N2CCc3c(=O)[n-]cnc3C2)cc1 ZINC001595215172 949211121 /nfs/dbraw/zinc/21/11/21/949211121.db2.gz IMTOXWUIIOVTGI-UHFFFAOYSA-N -2 3 299.286 1.079 20 0 CDADHL CCOC(=O)c1cc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)[n-]n1 ZINC001591125371 951068398 /nfs/dbraw/zinc/06/83/98/951068398.db2.gz BEWKBWKUBDZPPA-SFYZADRCSA-N -2 3 295.295 1.026 20 0 CDADHL CCOC(=O)c1cc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)n[n-]1 ZINC001591125371 951068407 /nfs/dbraw/zinc/06/84/07/951068407.db2.gz BEWKBWKUBDZPPA-SFYZADRCSA-N -2 3 295.295 1.026 20 0 CDADHL N[C@@H](CC(=O)[O-])C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000232398287 960264146 /nfs/dbraw/zinc/26/41/46/960264146.db2.gz UCZHINWGFIGMBR-ZETCQYMHSA-N -2 3 293.106 1.440 20 0 CDADHL CC(=O)c1csc(C(=O)NCc2nc([O-])cc(=O)[n-]2)c1 ZINC001434232483 961104765 /nfs/dbraw/zinc/10/47/65/961104765.db2.gz RNMVCMLAYAQYOT-UHFFFAOYSA-N -2 3 293.304 1.082 20 0 CDADHL C=C=CC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001573345541 962935726 /nfs/dbraw/zinc/93/57/26/962935726.db2.gz VIKIBJXEBUSSFH-UHFFFAOYSA-N -2 3 289.259 1.282 20 0 CDADHL O=C([O-])CC1(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)CCC1 ZINC001606074804 973231537 /nfs/dbraw/zinc/23/15/37/973231537.db2.gz MWTRTEZWTGZVLU-UHFFFAOYSA-N -2 3 289.291 1.852 20 0 CDADHL COC(C)(C)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000720071211 978025344 /nfs/dbraw/zinc/02/53/44/978025344.db2.gz VXNGFLYPBJIMPS-ZETCQYMHSA-N -2 3 291.325 1.070 20 0 CDADHL CC[C@@H](C)CO[N-]C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001594964644 982719554 /nfs/dbraw/zinc/71/95/54/982719554.db2.gz NWHUJCUEFUUBDO-OUAUKWLOSA-N -2 3 273.329 1.350 20 0 CDADHL CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001597303575 987417523 /nfs/dbraw/zinc/41/75/23/987417523.db2.gz VTKQQVYIUXYCSM-HTQZYQBOSA-N -2 3 273.310 1.363 20 0 CDADHL CC(C)(C)N1CC[C@](F)(C(=O)[N-]OCCCC(=O)[O-])C1 ZINC001589805616 988222325 /nfs/dbraw/zinc/22/23/25/988222325.db2.gz GYRTWMVNQUOXEE-CYBMUJFWSA-N -2 3 290.335 1.112 20 0 CDADHL C[C@@H]1CN(Cc2c(F)ccc([O-])c2F)C[C@@H](C(=O)[O-])O1 ZINC001599865942 989256719 /nfs/dbraw/zinc/25/67/19/989256719.db2.gz OCSLSOBRZOOYCN-HQJQHLMTSA-N -2 3 287.262 1.344 20 0 CDADHL CC(C)(CNC(=O)c1cccc2n[n-]nc21)CC(=O)[O-] ZINC001590750963 990551238 /nfs/dbraw/zinc/55/12/38/990551238.db2.gz WGWQMHOZDCOCLE-UHFFFAOYSA-N -2 3 276.296 1.189 20 0 CDADHL Cc1c(NCc2c(F)ccc([O-])c2F)cnn1CC(=O)[O-] ZINC001600053246 1174348325 /nfs/dbraw/zinc/34/83/25/1174348325.db2.gz VISHSYYJKSNJNO-UHFFFAOYSA-N -2 3 297.261 1.872 20 0 CDADHL CC1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000232987367 342034951 /nfs/dbraw/zinc/03/49/51/342034951.db2.gz IDHYTDKBJLLSQZ-UHFFFAOYSA-N -2 3 259.283 1.056 20 0 CDADHL CC(C)(C[N-]S(=O)(=O)c1cc(F)cc(F)c1)C(=O)[O-] ZINC000137478843 361927730 /nfs/dbraw/zinc/92/77/30/361927730.db2.gz FQTSBWGXJYJEBW-UHFFFAOYSA-N -2 3 293.291 1.354 20 0 CDADHL NC(=O)c1ccc(-c2nc3ccc([O-])cc3c(=O)[n-]2)cc1 ZINC000436928596 539045221 /nfs/dbraw/zinc/04/52/21/539045221.db2.gz SLFLYSJWGHDLIG-UHFFFAOYSA-N -2 3 281.271 1.395 20 0 CDADHL COc1ccccc1-c1cc(=NC(=O)c2c[n-]nc2C)[nH][n-]1 ZINC000608358088 345733808 /nfs/dbraw/zinc/73/38/08/345733808.db2.gz QRSJULSDIHICPI-UHFFFAOYSA-N -2 3 297.318 1.791 20 0 CDADHL C[C@H]1CCN(C(=O)c2ccccc2[O-])C[C@@H]1C(=O)[O-] ZINC000584720856 346414988 /nfs/dbraw/zinc/41/49/88/346414988.db2.gz XHAVRKWOVFEFCU-ONGXEEELSA-N -2 3 263.293 1.575 20 0 CDADHL Cc1[n-][nH]c(=O)c1CCN=c1nc(C(C)C)[n-]s1 ZINC000540032457 282495187 /nfs/dbraw/zinc/49/51/87/282495187.db2.gz ARPPLTNTWROKQE-QMMMGPOBSA-N -2 3 267.358 1.007 20 0 CDADHL COc1ccc(C(=O)N(CCC(=O)[O-])CC2CC2)c([O-])c1 ZINC000621999443 350924906 /nfs/dbraw/zinc/92/49/06/350924906.db2.gz OKLSTCHEJXOWEP-UHFFFAOYSA-N -2 3 293.319 1.728 20 0 CDADHL CCc1ccc([O-])c(C(=O)N[C@H](C)CC(=O)[O-])c1 ZINC000455759080 363460939 /nfs/dbraw/zinc/46/09/39/363460939.db2.gz TVQGNEBFUUBWMF-MRVPVSSYSA-N -2 3 251.282 1.548 20 0 CDADHL Cc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)c([O-])c1 ZINC000019441646 356485776 /nfs/dbraw/zinc/48/57/76/356485776.db2.gz KCQLPQYLNISOGR-JTQLQIEISA-N -2 3 263.293 1.637 20 0 CDADHL Cc1cccc(C(=O)N[C@H](C(=O)[O-])C(C)C)c1[O-] ZINC000019470469 356486750 /nfs/dbraw/zinc/48/67/50/356486750.db2.gz BBMYGPSXTFXPRU-JTQLQIEISA-N -2 3 251.282 1.540 20 0 CDADHL Cc1ccc([O-])c(C(=O)N(CC(=O)[O-])C(C)C)c1 ZINC000037993399 356950982 /nfs/dbraw/zinc/95/09/82/356950982.db2.gz VKMDDQJKCASKHJ-UHFFFAOYSA-N -2 3 251.282 1.636 20 0 CDADHL O=C([O-])Cc1cccc([N-]S(=O)(=O)C[C@H]2CCCO2)c1 ZINC000087844881 357325737 /nfs/dbraw/zinc/32/57/37/357325737.db2.gz ZEEJIFXSKFIQDG-GFCCVEGCSA-N -2 3 299.348 1.234 20 0 CDADHL O=C([O-])c1ccccc1[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000063155380 357508385 /nfs/dbraw/zinc/50/83/85/357508385.db2.gz LPIDSLKJHAXCEA-VIFPVBQESA-N -2 3 285.321 1.306 20 0 CDADHL Cc1ccc(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)c([O-])c1 ZINC000634816519 358812819 /nfs/dbraw/zinc/81/28/19/358812819.db2.gz RZNGNRKZWIUFHH-GHMZBOCLSA-N -2 3 263.293 1.996 20 0 CDADHL CCCC[C@H](NC(=O)Cc1c(C)nc(C)[n-]c1=O)C(=O)[O-] ZINC000347273061 359267650 /nfs/dbraw/zinc/26/76/50/359267650.db2.gz YCUXLIHYLGDAGQ-NSHDSACASA-N -2 3 295.339 1.101 20 0 CDADHL CCOC(=O)CC1(S(=O)(=O)[N-]c2ccccc2[O-])CC1 ZINC000436478882 361518880 /nfs/dbraw/zinc/51/88/80/361518880.db2.gz OEODFJUXZHHUPB-UHFFFAOYSA-N -2 3 299.348 1.620 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]C2(C)CCC2)cc1C(=O)[O-] ZINC000570393867 294230142 /nfs/dbraw/zinc/23/01/42/294230142.db2.gz ROQAVFCMQIXITR-UHFFFAOYSA-N -2 3 273.310 1.507 20 0 CDADHL CO[C@H](C)CS(=O)(=O)[N-]c1cccc(C)c1C(=O)[O-] ZINC000282183553 367762953 /nfs/dbraw/zinc/76/29/53/367762953.db2.gz JUFSZPWCRARVST-SECBINFHSA-N -2 3 287.337 1.470 20 0 CDADHL Cc1ccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)c([O-])c1 ZINC000275940283 193168504 /nfs/dbraw/zinc/16/85/04/193168504.db2.gz CEKPVRJIDRMOLV-MNOVXSKESA-N -2 3 265.265 1.271 20 0 CDADHL CCC[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000581129151 372840969 /nfs/dbraw/zinc/84/09/69/372840969.db2.gz NCEFATKYBPXZPW-UHFFFAOYSA-N -2 3 279.339 1.143 20 0 CDADHL Cc1ncc(S(=O)(=O)[N-]CCC[C@H](C)C(=O)[O-])s1 ZINC000230102215 378031370 /nfs/dbraw/zinc/03/13/70/378031370.db2.gz JBCWFQIJHIYFKC-ZETCQYMHSA-N -2 3 292.382 1.231 20 0 CDADHL O=C(CCCc1ccc([O-])c(F)c1)Nc1nnn[n-]1 ZINC000345931341 153000215 /nfs/dbraw/zinc/00/02/15/153000215.db2.gz MHGDZCJHLUDSJU-UHFFFAOYSA-N -2 3 265.248 1.006 20 0 CDADHL CC[C@H](C)[C@H](NC(=O)c1cccc([O-])c1)C(=O)[O-] ZINC000022144733 171356409 /nfs/dbraw/zinc/35/64/09/171356409.db2.gz KWIKVOKDODELQZ-KWQFWETISA-N -2 3 251.282 1.621 20 0 CDADHL Cc1oc(S(=O)(=O)[N-][C@]23C[C@H]2CCC3)cc1C(=O)[O-] ZINC000656716881 413595083 /nfs/dbraw/zinc/59/50/83/413595083.db2.gz HUMNTUGONULKDH-PRHODGIISA-N -2 3 285.321 1.507 20 0 CDADHL CC(C)(F)CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000656720769 413603840 /nfs/dbraw/zinc/60/38/40/413603840.db2.gz BKLIZYFEVPXAFM-UHFFFAOYSA-N -2 3 279.289 1.394 20 0 CDADHL CCc1ccc([O-])c(C(=O)NC2(C(=O)[O-])CCOCC2)c1 ZINC000663144377 413996789 /nfs/dbraw/zinc/99/67/89/413996789.db2.gz ZLOOBXFDDRJSOC-UHFFFAOYSA-N -2 3 293.319 1.318 20 0 CDADHL CC[C@H](C)[C@H](NC(=O)c1ccc2n[n-]nc2c1)C(=O)[O-] ZINC000037448515 173216159 /nfs/dbraw/zinc/21/61/59/173216159.db2.gz UQBXEEZFFZAVNZ-CPCISQLKSA-N -2 3 276.296 1.187 20 0 CDADHL CCN(CCC(=O)[O-])C(=O)c1cccc(C)c1[O-] ZINC000038023133 174004982 /nfs/dbraw/zinc/00/49/82/174004982.db2.gz CFMWKFHWGMJKSR-UHFFFAOYSA-N -2 3 251.282 1.637 20 0 CDADHL O=C([O-])C[C@@H]1CCCCN1C(=O)c1ccc2n[n-]nc2c1 ZINC000038026430 174011743 /nfs/dbraw/zinc/01/17/43/174011743.db2.gz JFIGMLLXMLXFKB-JTQLQIEISA-N -2 3 288.307 1.427 20 0 CDADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CC12CCCCC2 ZINC000395746037 270343775 /nfs/dbraw/zinc/34/37/75/270343775.db2.gz MCDOZETXGKQFIL-SECBINFHSA-N -2 3 299.352 1.109 20 0 CDADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc([O-])ccc1Cl ZINC000556078912 290252351 /nfs/dbraw/zinc/25/23/51/290252351.db2.gz BTHBVWSVROIKJJ-VIFPVBQESA-N -2 3 295.726 1.287 20 0 CDADHL COC(=O)c1ccc(C(=O)N=c2[n-]nc(C3CC3)s2)[n-]1 ZINC000562392887 293150402 /nfs/dbraw/zinc/15/04/02/293150402.db2.gz BBCBCMVFLZCLCQ-UHFFFAOYSA-N -2 3 292.320 1.204 20 0 CDADHL CCc1cc(=O)[n-]c(CN([C@H](C)C(=O)[O-])C2CCC2)n1 ZINC000563454910 316314655 /nfs/dbraw/zinc/31/46/55/316314655.db2.gz IODYJZLQVSOPKS-SECBINFHSA-N -2 3 279.340 1.572 20 0 CDADHL Cc1csc(S(=O)(=O)[N-][C@@H](CC2CC2)C(=O)[O-])c1 ZINC000566781768 316675828 /nfs/dbraw/zinc/67/58/28/316675828.db2.gz NZTVXPFBOKPTLI-VIFPVBQESA-N -2 3 289.378 1.588 20 0 CDADHL CC(C)C1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000575985604 317051547 /nfs/dbraw/zinc/05/15/47/317051547.db2.gz UPDILUSYMUZAOE-UHFFFAOYSA-N -2 3 287.337 1.692 20 0 CDADHL CCC(CC)([N-]S(=O)(=O)c1cc(C)cs1)C(=O)[O-] ZINC000581308551 324708133 /nfs/dbraw/zinc/70/81/33/324708133.db2.gz STDLVGWYGUWETI-UHFFFAOYSA-N -2 3 291.394 1.978 20 0 CDADHL CC(C)[C@@H](C)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134670286 483262997 /nfs/dbraw/zinc/26/29/97/483262997.db2.gz DQPRZDLNYALHBJ-ZCFIWIBFSA-N -2 3 278.355 1.164 20 0 CDADHL O=C([N-]c1n[n-]c(C(F)(F)F)n1)c1nccs1 ZINC000683533775 483571883 /nfs/dbraw/zinc/57/18/83/483571883.db2.gz DURDQKXWJAXUSP-UHFFFAOYSA-N -2 3 263.204 1.532 20 0 CDADHL CCCn1c(=O)[n-]nc1SCc1ccc(C(=O)[O-])o1 ZINC000060059703 521614735 /nfs/dbraw/zinc/61/47/35/521614735.db2.gz BSWLXMQXMDIQQD-UHFFFAOYSA-N -2 3 283.309 1.565 20 0 CDADHL CSCCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000069440395 525480061 /nfs/dbraw/zinc/48/00/61/525480061.db2.gz AQZBYTHJZOTGQX-UHFFFAOYSA-N -2 3 279.339 1.009 20 0 CDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000054504968 526314343 /nfs/dbraw/zinc/31/43/43/526314343.db2.gz BNVLOVNDFNBVIT-MRVPVSSYSA-N -2 3 295.769 1.543 20 0 CDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)C1CC1 ZINC000054504925 526314437 /nfs/dbraw/zinc/31/44/37/526314437.db2.gz LAHADMIEBACCCZ-SNVBAGLBSA-N -2 3 291.275 1.106 20 0 CDADHL O=C(Nc1cc(F)ccc1[O-])c1c[n-]n2c1nccc2=O ZINC000339352457 527129078 /nfs/dbraw/zinc/12/90/78/527129078.db2.gz AOXSXAFMBIHYFL-UHFFFAOYSA-N -2 3 288.238 1.120 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]Cc2ccoc2)oc1C(=O)[O-] ZINC001600300336 1174439931 /nfs/dbraw/zinc/43/99/31/1174439931.db2.gz LONRVHHHNGVCGQ-UHFFFAOYSA-N -2 3 285.277 1.358 20 0 CDADHL O=C([O-])COC(=O)c1cccc(Br)c1[O-] ZINC000739818725 574498562 /nfs/dbraw/zinc/49/85/62/574498562.db2.gz ASRFVFCSRHPDBR-UHFFFAOYSA-N -2 3 275.054 1.396 20 0 CDADHL O=C([O-])Nc1cccc(C(=O)N2CCc3n[n-]nc3C2)c1 ZINC000740028508 576412871 /nfs/dbraw/zinc/41/28/71/576412871.db2.gz DBXZTLQJKNRLKB-UHFFFAOYSA-N -2 3 287.279 1.093 20 0 CDADHL Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)c([O-])c1 ZINC000738514449 576085647 /nfs/dbraw/zinc/08/56/47/576085647.db2.gz DARXWAVOAFVXJD-JTQLQIEISA-N -2 3 278.308 1.573 20 0 CDADHL O=C([O-])c1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)[nH]1 ZINC001602326400 1175206666 /nfs/dbraw/zinc/20/66/66/1175206666.db2.gz YKSWPGCXWYYZKO-UHFFFAOYSA-N -2 3 289.173 1.102 20 0 CDADHL O=C([O-])c1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)[nH]1 ZINC001602326400 1175206670 /nfs/dbraw/zinc/20/66/70/1175206670.db2.gz YKSWPGCXWYYZKO-UHFFFAOYSA-N -2 3 289.173 1.102 20 0 CDADHL O=C([O-])CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000908629030 628301612 /nfs/dbraw/zinc/30/16/12/628301612.db2.gz QYARWUKCMWLFAO-UHFFFAOYSA-N -2 3 255.245 1.055 20 0 CDADHL O=C([O-])[C@H](NC(=O)NCc1ccc([O-])c(F)c1)C1CC1 ZINC000909048479 628490447 /nfs/dbraw/zinc/49/04/47/628490447.db2.gz NDASZAHHEHWMPA-LLVKDONJSA-N -2 3 282.271 1.194 20 0 CDADHL CC(=O)c1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)cc1[O-] ZINC000909802295 628680181 /nfs/dbraw/zinc/68/01/81/628680181.db2.gz CATFHLOMJWGOCA-KCJUWKMLSA-N -2 3 291.303 1.530 20 0 CDADHL C[C@@H]1C[C@H](C(=O)Nc2cccc([O-])c2F)O[C@H]1C(=O)[O-] ZINC000911431129 629281046 /nfs/dbraw/zinc/28/10/46/629281046.db2.gz KTEZHCPXKIANMF-KNBVPPQFSA-N -2 3 283.255 1.348 20 0 CDADHL Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001610560984 1165355377 /nfs/dbraw/zinc/35/53/77/1165355377.db2.gz RYISZKBMXFTKJQ-YUMQZZPRSA-N -2 3 295.295 1.026 20 0 CDADHL O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccc([O-])cn1 ZINC001637294666 1166744178 /nfs/dbraw/zinc/74/41/78/1166744178.db2.gz UZVFYQLCMNUURM-UHFFFAOYSA-N -2 3 270.248 1.621 20 0 CDADHL Cc1[n-][nH]c(=O)c1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001649901486 1169482161 /nfs/dbraw/zinc/48/21/61/1169482161.db2.gz NQKCVQSXEOPHIY-UHFFFAOYSA-N -2 3 275.268 1.049 20 0 CDADHL CC(C)[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)C(=O)[O-] ZINC001589765548 1173177438 /nfs/dbraw/zinc/17/74/38/1173177438.db2.gz HVHBKHDFFNVLSA-QMMMGPOBSA-N -2 3 296.718 1.436 20 0 CDADHL CC(C)[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)C(=O)[O-] ZINC001589765548 1173177440 /nfs/dbraw/zinc/17/74/40/1173177440.db2.gz HVHBKHDFFNVLSA-QMMMGPOBSA-N -2 3 296.718 1.436 20 0 CDADHL CCO[N-]C(=O)C(C)(C)c1ccc(-c2nn[n-]n2)cc1 ZINC001590818698 1173521982 /nfs/dbraw/zinc/52/19/82/1173521982.db2.gz HMWJCBVGNLGNHB-UHFFFAOYSA-N -2 3 275.312 1.212 20 0 CDADHL O=C([N-]Oc1cccc(-c2nnn[n-]2)c1)C(F)=C1CCC1 ZINC001593171346 1174028461 /nfs/dbraw/zinc/02/84/61/1174028461.db2.gz VSDQJBQOHARVNQ-UHFFFAOYSA-N -2 3 289.270 1.684 20 0 CDADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)C(F)=C1CCC1 ZINC001593171346 1174028466 /nfs/dbraw/zinc/02/84/66/1174028466.db2.gz VSDQJBQOHARVNQ-UHFFFAOYSA-N -2 3 289.270 1.684 20 0 CDADHL O=C([O-])CCOc1ccc(N=c2ncnc3[nH][n-]cc2-3)cc1 ZINC001602027838 1175113639 /nfs/dbraw/zinc/11/36/39/1175113639.db2.gz TWFGFPOGHYBISM-UHFFFAOYSA-N -2 3 299.290 1.324 20 0 CDADHL O=C([O-])[C@@H]1C[C@H](N=c2ncnc3[nH][n-]cc2-3)c2ccccc21 ZINC001602199586 1175160897 /nfs/dbraw/zinc/16/08/97/1175160897.db2.gz HLRZYQVIMHITAC-PWSUYJOCSA-N -2 3 295.302 1.452 20 0 CDADHL O=C([O-])c1cc(C(=O)Nc2cc(Cl)ccc2[O-])on1 ZINC001602247891 1175180252 /nfs/dbraw/zinc/18/02/52/1175180252.db2.gz LTFTXMCQSRYVHA-UHFFFAOYSA-N -2 3 282.639 1.984 20 0 CDADHL O=C([N-]OCCC(F)(F)F)c1cc(=O)[n-]c(C2CC2)n1 ZINC000847771131 811507552 /nfs/dbraw/zinc/50/75/52/811507552.db2.gz SCCVDDWKICUPOC-UHFFFAOYSA-N -2 3 291.229 1.673 20 0 CDADHL Cc1cc(=O)[n-]c(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)n1 ZINC000846270839 817002971 /nfs/dbraw/zinc/00/29/71/817002971.db2.gz OALPBWJGOXKJAZ-CYBMUJFWSA-N -2 3 299.330 1.675 20 0 CDADHL Cc1cc(C(=O)[O-])ccc1Nc1c(N)[nH]c(=O)[n-]c1=O ZINC001211616190 897702698 /nfs/dbraw/zinc/70/26/98/897702698.db2.gz ALHAOQVJVZKWJK-UHFFFAOYSA-N -2 3 276.252 1.220 20 0 CDADHL Cc1ccc([O-])c(NC(=O)c2ccn(C)c2CC(=O)[O-])n1 ZINC001177363801 914642425 /nfs/dbraw/zinc/64/24/25/914642425.db2.gz ROJRSRSWJKLDQX-UHFFFAOYSA-N -2 3 289.291 1.314 20 0 CDADHL CC(=O)c1cccc([O-])c1NC(=O)c1ccncc1[O-] ZINC001188636553 921138165 /nfs/dbraw/zinc/13/81/65/921138165.db2.gz JIRVIAKOGAQJRG-UHFFFAOYSA-N -2 3 272.260 1.948 20 0 CDADHL Cc1ccc(Cl)cc1NC(=O)NCCP(=O)([O-])[O-] ZINC001188744704 921177936 /nfs/dbraw/zinc/17/79/36/921177936.db2.gz DVNIMPATQBZTIJ-UHFFFAOYSA-N -2 3 292.659 1.948 20 0 CDADHL C[C@H](OCCP(=O)([O-])[O-])c1cccnc1Cl ZINC001224603707 909919530 /nfs/dbraw/zinc/91/95/30/909919530.db2.gz BHYAOWCKLYCFAK-ZETCQYMHSA-N -2 3 265.633 1.990 20 0 CDADHL O=C([O-])C1CC(NC(=O)c2cc([O-])ccc2Cl)C1 ZINC000693345999 919856125 /nfs/dbraw/zinc/85/61/25/919856125.db2.gz GJEPSQBRTWJORI-UHFFFAOYSA-N -2 3 269.684 1.639 20 0 CDADHL O=C([O-])CSCCNC(=O)c1cc([O-])ccc1Cl ZINC000389396241 936646968 /nfs/dbraw/zinc/64/69/68/936646968.db2.gz YZENRJGZWOETMH-UHFFFAOYSA-N -2 3 289.740 1.593 20 0 CDADHL O=C(NCCP(=O)([O-])[O-])NC1CCCCCC1 ZINC001191278953 922482330 /nfs/dbraw/zinc/48/23/30/922482330.db2.gz IJUNMENWHYPFFS-UHFFFAOYSA-N -2 3 264.262 1.186 20 0 CDADHL COC(=O)c1cccc([O-])c1[N-]S(=O)(=O)C(C)C ZINC001252523015 928899553 /nfs/dbraw/zinc/89/95/53/928899553.db2.gz PGFKUUCBEKIBOE-UHFFFAOYSA-N -2 3 273.310 1.329 20 0 CDADHL O=C(COC1CCCC1)NCCCCP(=O)([O-])[O-] ZINC001146773214 932296560 /nfs/dbraw/zinc/29/65/60/932296560.db2.gz UJSBOAHUNKXVOM-UHFFFAOYSA-N -2 3 279.273 1.020 20 0 CDADHL O=P([O-])([O-])CCOC1CN(Cc2ccccc2)C1 ZINC001224604595 941774088 /nfs/dbraw/zinc/77/40/88/941774088.db2.gz DYFWRZMFXYGUKQ-UHFFFAOYSA-N -2 3 271.253 1.065 20 0 CDADHL CC(C)[C@@H](OCCP(=O)([O-])[O-])C(F)(F)F ZINC001224606105 941775728 /nfs/dbraw/zinc/77/57/28/941775728.db2.gz MBPILSVKGCCAHS-ZCFIWIBFSA-N -2 3 250.153 1.768 20 0 CDADHL C[C@@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1cccc(F)c1 ZINC001233934042 943693941 /nfs/dbraw/zinc/69/39/41/943693941.db2.gz GJCVAQJTWSRUPL-SSDOTTSWSA-N -2 3 274.255 1.925 20 0 CDADHL O=S(=O)([N-]c1cncc([O-])c1)c1ccc(F)c(F)c1 ZINC001259085029 945481278 /nfs/dbraw/zinc/48/12/78/945481278.db2.gz RXUYUKAKYLGJRJ-UHFFFAOYSA-N -2 3 286.259 1.866 20 0 CDADHL O=S(=O)([N-]C1=CC=C[CH]1)c1ccc(F)cc1F ZINC001256102056 948208999 /nfs/dbraw/zinc/20/89/99/948208999.db2.gz HIZGJWQCSWZENH-UHFFFAOYSA-N -2 3 256.253 1.901 20 0 CDADHL O=C([O-])c1cnc(C(=O)Nc2cccc([O-])c2F)cn1 ZINC001595268715 949802566 /nfs/dbraw/zinc/80/25/66/949802566.db2.gz MZWJZARXIHFUEC-UHFFFAOYSA-N -2 3 277.211 1.272 20 0 CDADHL CCOC(=O)c1cc(NC(=O)C2(CC(=O)[O-])CCC2)[n-]n1 ZINC001591091818 951058288 /nfs/dbraw/zinc/05/82/88/951058288.db2.gz GGJFLHNUAOCJHO-UHFFFAOYSA-N -2 3 295.295 1.170 20 0 CDADHL CCOC(=O)c1cc(NC(=O)C2(CC(=O)[O-])CCC2)n[n-]1 ZINC001591091818 951058301 /nfs/dbraw/zinc/05/83/01/951058301.db2.gz GGJFLHNUAOCJHO-UHFFFAOYSA-N -2 3 295.295 1.170 20 0 CDADHL O=C([O-])CN(Cc1nc(=O)c2sccc2[n-]1)C1CCC1 ZINC001595071780 951601066 /nfs/dbraw/zinc/60/10/66/951601066.db2.gz JJJYNHCQXWICLD-UHFFFAOYSA-N -2 3 293.348 1.836 20 0 CDADHL O=C([O-])c1n[nH]cc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC001594707261 956846563 /nfs/dbraw/zinc/84/65/63/956846563.db2.gz ASFLCEZJLMGHFD-UHFFFAOYSA-N -2 3 279.227 1.134 20 0 CDADHL Cc1oc(CNC(=O)c2ccccc2[O-])cc1C(=O)[O-] ZINC000038059707 957354118 /nfs/dbraw/zinc/35/41/18/957354118.db2.gz BBFWIFAMIJJBBH-UHFFFAOYSA-N -2 3 275.260 1.922 20 0 CDADHL CSc1nsc([N-]C(=O)c2cnc(C(=O)[O-])cn2)n1 ZINC001594199128 959225890 /nfs/dbraw/zinc/22/58/90/959225890.db2.gz WOJDHOGLULMEIG-UHFFFAOYSA-N -2 3 297.321 1.001 20 0 CDADHL O=C([O-])[C@H](CNC(=O)c1ccccc1[O-])CC1CC1 ZINC000405430441 973878194 /nfs/dbraw/zinc/87/81/94/973878194.db2.gz ATLYRBZCPUQVDW-JTQLQIEISA-N -2 3 263.293 1.623 20 0 CDADHL Cc1cccc([O-])c1C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722467102 978144291 /nfs/dbraw/zinc/14/42/91/978144291.db2.gz XQWXJGSYQLQNHP-GHMZBOCLSA-N -2 3 277.320 1.883 20 0 CDADHL CCC(C)(C)C[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001573665648 983077767 /nfs/dbraw/zinc/07/77/67/983077767.db2.gz CFYHMCQRWZBHNQ-UHFFFAOYSA-N -2 3 289.357 1.131 20 0 CDADHL CCOc1cc(C(=O)[N-]c2nc(C)c(C(=O)[O-])s2)on1 ZINC001597011464 986356623 /nfs/dbraw/zinc/35/66/23/986356623.db2.gz VRTVWQDQUJCTDE-UHFFFAOYSA-N -2 3 297.292 1.789 20 0 CDADHL CSCC[C@@H](OC(=O)c1c[n-]nc1C)C(=O)[O-] ZINC001599797562 988122415 /nfs/dbraw/zinc/12/24/15/988122415.db2.gz MNJLZNQYTPLCTF-MRVPVSSYSA-N -2 3 258.299 1.081 20 0 CDADHL CCc1cccc(C(=O)N(C)C(C)(C)C(=O)[O-])c1[O-] ZINC001597570704 988349677 /nfs/dbraw/zinc/34/96/77/988349677.db2.gz YYFCABFPHFZYKD-UHFFFAOYSA-N -2 3 265.309 1.890 20 0 CDADHL COc1cc(F)c([N-]C(=O)c2cc(C(=O)[O-])no2)cc1F ZINC001599423922 997640539 /nfs/dbraw/zinc/64/05/39/997640539.db2.gz JZKWBJUEOIZYRZ-UHFFFAOYSA-N -2 3 298.201 1.912 20 0 CDADHL CC(C)c1cc(C(=O)[O-])nc(SCCc2nnn[n-]2)n1 ZINC001573531748 1170683396 /nfs/dbraw/zinc/68/33/96/1170683396.db2.gz URSLQEZMLHXOSH-UHFFFAOYSA-N -2 3 294.340 1.146 20 0 CDADHL CC(C)c1cc(C(=O)[O-])nc(SCCc2nn[n-]n2)n1 ZINC001573531748 1170683401 /nfs/dbraw/zinc/68/34/01/1170683401.db2.gz URSLQEZMLHXOSH-UHFFFAOYSA-N -2 3 294.340 1.146 20 0 CDADHL CCC[C@@H](C)CC[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573728867 1170747448 /nfs/dbraw/zinc/74/74/48/1170747448.db2.gz QACWJCKXGKINCA-MRVPVSSYSA-N -2 3 289.357 1.213 20 0 CDADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000201847940 342486135 /nfs/dbraw/zinc/48/61/35/342486135.db2.gz UPZMUTJJDOGGPY-UHFFFAOYSA-N -2 3 281.742 1.297 20 0 CDADHL CC(C)N(CC(=O)[O-])C(=O)c1c[n-]c2ccccc2c1=O ZINC000037993572 346374868 /nfs/dbraw/zinc/37/48/68/346374868.db2.gz VKBJOMVVTCADTC-UHFFFAOYSA-N -2 3 288.303 1.463 20 0 CDADHL COc1ccc(C(=O)N[C@H](CC(F)F)C(=O)[O-])c([O-])c1 ZINC000312637653 365939207 /nfs/dbraw/zinc/93/92/07/365939207.db2.gz JEDZSADCGWVKAT-MRVPVSSYSA-N -2 3 289.234 1.239 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@]23C[C@@H]2CCCC3)o1 ZINC000634654709 356644461 /nfs/dbraw/zinc/64/44/61/356644461.db2.gz QWUZHAAYIMODIC-UFBFGSQYSA-N -2 3 285.321 1.589 20 0 CDADHL COc1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC000097051846 357935595 /nfs/dbraw/zinc/93/55/95/357935595.db2.gz LKSOUMPOKFAKLZ-BDAKNGLRSA-N -2 3 279.292 1.384 20 0 CDADHL CC(C)(C)[C@@H](C[N-]S(=O)(=O)c1ccco1)CC(=O)[O-] ZINC000277357936 366422790 /nfs/dbraw/zinc/42/27/90/366422790.db2.gz YDBATHLJWLIBTH-SECBINFHSA-N -2 3 289.353 1.695 20 0 CDADHL Cc1ccccc1C[C@H](C)C(=O)N=c1ccc([O-])n[n-]1 ZINC000637127193 359244582 /nfs/dbraw/zinc/24/45/82/359244582.db2.gz JNXQKFQYWMNNKR-NSHDSACASA-N -2 3 271.320 1.730 20 0 CDADHL Cc1nc(C=Cc2cccc(O)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000347378930 359333835 /nfs/dbraw/zinc/33/38/35/359333835.db2.gz GZLOJEKNLGNPDM-WAYWQWQTSA-N -2 3 286.287 1.994 20 0 CDADHL CC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000159547758 364232145 /nfs/dbraw/zinc/23/21/45/364232145.db2.gz NMEVTYIZIBTNFW-QMMMGPOBSA-N -2 3 295.719 1.621 20 0 CDADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(F)c(F)c2)CCC1 ZINC000164951675 364843870 /nfs/dbraw/zinc/84/38/70/364843870.db2.gz RXGQCRBMBUHSOP-UHFFFAOYSA-N -2 3 291.275 1.250 20 0 CDADHL O=c1[nH][n-]cc1CCCN=c1nc(C2CCCC2)[n-]s1 ZINC000631361471 376150480 /nfs/dbraw/zinc/15/04/80/376150480.db2.gz NBAWEDIMTVVSAC-SNVBAGLBSA-N -2 3 293.396 1.542 20 0 CDADHL CCc1ccc(S(=O)(=O)[N-][C@@H](CF)C(=O)[O-])s1 ZINC000572118041 377717066 /nfs/dbraw/zinc/71/70/66/377717066.db2.gz IPPGEADEWQOZNT-ZETCQYMHSA-N -2 3 281.330 1.012 20 0 CDADHL CSCCO[N-]C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000280906302 195022846 /nfs/dbraw/zinc/02/28/46/195022846.db2.gz QAWAMDGNFRGBPN-UHFFFAOYSA-N -2 3 285.369 1.142 20 0 CDADHL CCC[C@@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)C(=O)[O-] ZINC000647230022 390918371 /nfs/dbraw/zinc/91/83/71/390918371.db2.gz NOKWUIMGICURKO-LLVKDONJSA-N -2 3 279.292 1.578 20 0 CDADHL CC(C)(C)c1n[n-]c(CN=c2nc(C(C)(C)C)o[n-]2)n1 ZINC000520192205 391746496 /nfs/dbraw/zinc/74/64/96/391746496.db2.gz RTRRTBBYOPZTQW-UHFFFAOYSA-N -2 3 278.360 1.817 20 0 CDADHL Cc1noc(C)c1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000127888067 392630874 /nfs/dbraw/zinc/63/08/74/392630874.db2.gz DPQRXSDFPJFRRJ-UHFFFAOYSA-N -2 3 286.284 1.937 20 0 CDADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C1CC1 ZINC000645951754 393427556 /nfs/dbraw/zinc/42/75/56/393427556.db2.gz LHGYGVYNOZZGNI-ZCFIWIBFSA-N -2 3 259.283 1.055 20 0 CDADHL C[C@]([N-]S(=O)(=O)c1cccs1)(C(=O)[O-])C1CC1 ZINC000036947373 398051684 /nfs/dbraw/zinc/05/16/84/398051684.db2.gz QFRXQGOUFGOCOB-SNVBAGLBSA-N -2 3 275.351 1.280 20 0 CDADHL Cc1ccc(C(=O)N[C@H](CC(F)F)C(=O)[O-])c([O-])c1 ZINC000262830543 149119142 /nfs/dbraw/zinc/11/91/42/149119142.db2.gz RHXCSVSKCGOFAR-MRVPVSSYSA-N -2 3 273.235 1.539 20 0 CDADHL CCCC[C@@H](NC(=O)c1ccc2n[n-]nc2c1)C(=O)[O-] ZINC000035410166 172180918 /nfs/dbraw/zinc/18/09/18/172180918.db2.gz XOBZHHOHNYYTQI-SNVBAGLBSA-N -2 3 276.296 1.331 20 0 CDADHL CCN(C(=O)c1cc(OC)ccc1[O-])[C@H](C)C(=O)[O-] ZINC000659776318 414104246 /nfs/dbraw/zinc/10/42/46/414104246.db2.gz QUIDYFXYBXDQKA-MRVPVSSYSA-N -2 3 267.281 1.336 20 0 CDADHL O=C([O-])[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cccs2)C1 ZINC000070555814 175984508 /nfs/dbraw/zinc/98/45/08/175984508.db2.gz NFKFFZBOVPJTLM-BDAKNGLRSA-N -2 3 289.378 1.670 20 0 CDADHL O=C(N=c1cc2ccccn2[n-]1)c1cc(F)c([O-])c(F)c1 ZINC000552999814 290089241 /nfs/dbraw/zinc/08/92/41/290089241.db2.gz UFECLZRRIJJFIY-UHFFFAOYSA-N -2 3 289.241 1.992 20 0 CDADHL O=C(N=c1cc2ccccn2[n-]1)c1ccccc1[O-] ZINC000557538084 290351295 /nfs/dbraw/zinc/35/12/95/290351295.db2.gz UYJIVLIIDFPYRJ-UHFFFAOYSA-N -2 3 253.261 1.714 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]CCn2cccc2)cc1C(=O)[O-] ZINC000571162136 294379474 /nfs/dbraw/zinc/37/94/74/294379474.db2.gz HAQLZNYVDAXOAU-UHFFFAOYSA-N -2 3 298.320 1.066 20 0 CDADHL CC(=O)c1ccc(C(=O)N(C)C[C@@H](C)C(=O)[O-])cc1[O-] ZINC000571403939 294429094 /nfs/dbraw/zinc/42/90/94/294429094.db2.gz QIEKUSMDQQGXTH-MRVPVSSYSA-N -2 3 279.292 1.388 20 0 CDADHL CC(=O)c1ccc(C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1[O-] ZINC000572720906 294680120 /nfs/dbraw/zinc/68/01/20/294680120.db2.gz GKEFJFOBXDHSPR-SNVBAGLBSA-N -2 3 277.276 1.142 20 0 CDADHL C/C=C\C[C@@H]([N-]S(=O)(=O)c1cnc(C)s1)C(=O)[O-] ZINC000575057104 295093630 /nfs/dbraw/zinc/09/36/30/295093630.db2.gz DKEXXARJKAMCPW-TUUFMJSCSA-N -2 3 290.366 1.149 20 0 CDADHL Cc1nc(Cl)ccc1CC(=O)[N-]OCCCC(=O)[O-] ZINC001600707543 1174573070 /nfs/dbraw/zinc/57/30/70/1174573070.db2.gz UWJHXFMEEMRLOW-UHFFFAOYSA-N -2 3 286.715 1.499 20 0 CDADHL O=C([O-])c1cccc(CC(=O)Nc2ncccc2[O-])c1 ZINC001601365473 1174847087 /nfs/dbraw/zinc/84/70/87/1174847087.db2.gz PRTFWWXLIGGKPD-UHFFFAOYSA-N -2 3 272.260 1.667 20 0 CDADHL CN(CCCC(=O)Nc1ccccc1[O-])C(=O)[O-] ZINC000737430821 575963408 /nfs/dbraw/zinc/96/34/08/575963408.db2.gz KEOMEBJVMXJAOC-UHFFFAOYSA-N -2 3 252.270 1.721 20 0 CDADHL CN(Cc1ccc(N=c2ncnc3[nH][n-]cc2-3)cc1)C(=O)[O-] ZINC000737485960 575974146 /nfs/dbraw/zinc/97/41/46/575974146.db2.gz NGNGYBRNLRRKBI-UHFFFAOYSA-N -2 3 298.306 1.580 20 0 CDADHL Cc1nonc1C(=O)[N-]c1ccc(C(=O)[O-])s1 ZINC000738955896 576141439 /nfs/dbraw/zinc/14/14/39/576141439.db2.gz DJKBVEMETRMBEX-UHFFFAOYSA-N -2 3 253.239 1.390 20 0 CDADHL Cc1oc(C(=O)[O-])cc1COC(=O)c1cncc([O-])c1 ZINC000738965372 576143128 /nfs/dbraw/zinc/14/31/28/576143128.db2.gz AMMIGXLNENZUFR-UHFFFAOYSA-N -2 3 277.232 1.744 20 0 CDADHL Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)[N-]OCC(F)F ZINC000760143614 576461116 /nfs/dbraw/zinc/46/11/16/576461116.db2.gz WXCKLOMCKRMLKR-UHFFFAOYSA-N -2 3 289.282 1.715 20 0 CDADHL CC(C)(CCC(=O)[O-])[N-]C(=O)C(F)(F)C(F)F ZINC000178279033 601284987 /nfs/dbraw/zinc/28/49/87/601284987.db2.gz GBMROUCLMHIBIM-UHFFFAOYSA-N -2 3 259.199 1.646 20 0 CDADHL O=C([O-])c1cc(/C=C2\C(=O)[N-]C(=O)c3ccccc32)c[nH]1 ZINC000833361070 601792766 /nfs/dbraw/zinc/79/27/66/601792766.db2.gz OELSRLQDCMHXOF-WZUFQYTHSA-N -2 3 282.255 1.524 20 0 CDADHL Cc1cc(=O)[n-]c(CN(CC(=O)[O-])Cc2ccccc2)n1 ZINC000700437628 602310654 /nfs/dbraw/zinc/31/06/54/602310654.db2.gz WVJHJIIHYNKJHT-UHFFFAOYSA-N -2 3 287.319 1.577 20 0 CDADHL Cc1ccc(-c2nc(NC(=O)CCCNC(=O)[O-])n[n-]2)o1 ZINC000830159634 604585280 /nfs/dbraw/zinc/58/52/80/604585280.db2.gz GPTYENMERWDXFW-UHFFFAOYSA-N -2 3 293.283 1.359 20 0 CDADHL O=C([O-])[C@@H]1CCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000909637812 620530254 /nfs/dbraw/zinc/53/02/54/620530254.db2.gz XZTXAYKILDUBOV-JTQLQIEISA-N -2 3 267.256 1.149 20 0 CDADHL CC(C)(NC(=O)CCCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000908836923 628386009 /nfs/dbraw/zinc/38/60/09/628386009.db2.gz BMBLHGYYLGQEQE-UHFFFAOYSA-N -2 3 283.299 1.833 20 0 CDADHL CC(=O)c1ccc(C(=O)N(CC(=O)[O-])CC(C)C)cc1[O-] ZINC000908878691 628408048 /nfs/dbraw/zinc/40/80/48/628408048.db2.gz DVZQPWOOGAEYIN-UHFFFAOYSA-N -2 3 293.319 1.778 20 0 CDADHL Cc1nc2c(c(=O)[n-]1)CN(c1ccc(C(=O)[O-])c(C)n1)C2 ZINC000910385615 629046279 /nfs/dbraw/zinc/04/62/79/629046279.db2.gz HBBCPVJAPVSMAL-UHFFFAOYSA-N -2 3 286.291 1.412 20 0 CDADHL Cc1cc(=O)[n-]c(N2CCc3cc(C(=O)[O-])ccc3C2)n1 ZINC001607699267 1164275842 /nfs/dbraw/zinc/27/58/42/1164275842.db2.gz NFTCHFQFWCMDDI-UHFFFAOYSA-N -2 3 285.303 1.752 20 0 CDADHL O=C([O-])c1cc([N-]C(=O)c2scnc2Cl)on1 ZINC001608855975 1164664045 /nfs/dbraw/zinc/66/40/45/1164664045.db2.gz JKLIFEYCMRKETJ-UHFFFAOYSA-N -2 3 273.657 1.735 20 0 CDADHL O=C(Nc1ccccc1-c1nnn[n-]1)c1ncccc1[O-] ZINC000095180677 1166604295 /nfs/dbraw/zinc/60/42/95/1166604295.db2.gz FDMVLXWOKZXQBA-UHFFFAOYSA-N -2 3 282.263 1.220 20 0 CDADHL O=C(Nc1ccccc1-c1nn[n-]n1)c1ncccc1[O-] ZINC000095180677 1166604300 /nfs/dbraw/zinc/60/43/00/1166604300.db2.gz FDMVLXWOKZXQBA-UHFFFAOYSA-N -2 3 282.263 1.220 20 0 CDADHL Cc1cc(NC(=O)c2ncccc2[O-])cc(-c2nnn[n-]2)c1 ZINC001592031826 1173777157 /nfs/dbraw/zinc/77/71/57/1173777157.db2.gz QUNXJKSZLLKBLZ-UHFFFAOYSA-N -2 3 296.290 1.528 20 0 CDADHL Cc1cc(NC(=O)c2ncccc2[O-])cc(-c2nn[n-]n2)c1 ZINC001592031826 1173777162 /nfs/dbraw/zinc/77/71/62/1173777162.db2.gz QUNXJKSZLLKBLZ-UHFFFAOYSA-N -2 3 296.290 1.528 20 0 CDADHL Cc1nc(N[C@@H](C)[C@@H](C)C(=O)[O-])ccc1-c1nnn[n-]1 ZINC001592377337 1173873065 /nfs/dbraw/zinc/87/30/65/1173873065.db2.gz SSVHBVIBKBKWDN-RQJHMYQMSA-N -2 3 276.300 1.091 20 0 CDADHL Cc1nc(N[C@@H](C)[C@@H](C)C(=O)[O-])ccc1-c1nn[n-]n1 ZINC001592377337 1173873069 /nfs/dbraw/zinc/87/30/69/1173873069.db2.gz SSVHBVIBKBKWDN-RQJHMYQMSA-N -2 3 276.300 1.091 20 0 CDADHL O=C([O-])c1cc(-c2cccc(-c3nn[n-]n3)c2)c[nH]c1=O ZINC001593279181 1174047733 /nfs/dbraw/zinc/04/77/33/1174047733.db2.gz VVJOJBUGTBWXRT-UHFFFAOYSA-N -2 3 283.247 1.333 20 0 CDADHL O=C([O-])[C@H](SCCc1nn[n-]n1)c1ccccc1 ZINC001601692081 1174946676 /nfs/dbraw/zinc/94/66/76/1174946676.db2.gz VCHFTFZFFUHILI-SNVBAGLBSA-N -2 3 264.310 1.301 20 0 CDADHL O=C([O-])c1cc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)c[nH]1 ZINC001602254700 1175182307 /nfs/dbraw/zinc/18/23/07/1175182307.db2.gz KRJLCHWMCZRYAU-UPHRSURJSA-N -3 3 275.220 1.077 20 0 CDADHL O=C([O-])c1cc(CNC(=O)c2ccc(O)cc2[O-])ccn1 ZINC001602258147 1175185749 /nfs/dbraw/zinc/18/57/49/1175185749.db2.gz AQICYAOFWVCMHP-UHFFFAOYSA-N -2 3 288.259 1.121 20 0 CDADHL O=C([O-])c1nc[nH]c1NC(=O)c1c[n-]c2ccccc2c1=O ZINC001602571110 1175301042 /nfs/dbraw/zinc/30/10/42/1175301042.db2.gz QCHPYRVKJHARLW-UHFFFAOYSA-N -2 3 298.258 1.202 20 0 CDADHL C/C(=C\c1ccco1)C(=O)[N-]OCCCC(=O)[O-] ZINC001602985910 1175471578 /nfs/dbraw/zinc/47/15/78/1175471578.db2.gz QQLBAIQVFSYLOO-CMDGGOBGSA-N -2 3 253.254 1.596 20 0 CDADHL CC(C)[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001603967027 1175703631 /nfs/dbraw/zinc/70/36/31/1175703631.db2.gz FRVNBBFRDOYFKU-WPRPVWTQSA-N -2 3 287.337 1.548 20 0 CDADHL C[C@@H](CC(=O)[O-])Sc1nc2c(cnn2C)c(=O)[n-]1 ZINC001604114535 1175768324 /nfs/dbraw/zinc/76/83/24/1175768324.db2.gz ARBLRVKOLKLVIQ-YFKPBYRVSA-N -2 3 268.298 1.024 20 0 CDADHL Nc1ccc(C(=O)NC2(CC(=O)[O-])CCCCC2)c([O-])c1 ZINC001608272625 1164475946 /nfs/dbraw/zinc/47/59/46/1164475946.db2.gz XOKCXTDVXMNKJC-UHFFFAOYSA-N -2 3 292.335 1.882 20 0 CDADHL Cc1n[n-]cc1C(=O)O[C@H](C(=O)[O-])c1ccsc1 ZINC001610405020 1165308129 /nfs/dbraw/zinc/30/81/29/1165308129.db2.gz RMGBRMPMLUEAPG-VIFPVBQESA-N -2 3 266.278 1.762 20 0 CDADHL CCCC[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000780687128 820362313 /nfs/dbraw/zinc/36/23/13/820362313.db2.gz VOIKZBLCWFXHQV-LLVKDONJSA-N -2 3 298.314 1.974 20 0 CDADHL O=C([N-]OCc1ccccc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000816845535 821865056 /nfs/dbraw/zinc/86/50/56/821865056.db2.gz SYURCHBAFCAGFS-UHFFFAOYSA-N -2 3 285.303 1.921 20 0 CDADHL CC[C@H](C)[C@H](Sc1ncc(C(=O)OC)[n-]1)C(=O)[O-] ZINC001604941868 1167875143 /nfs/dbraw/zinc/87/51/43/1167875143.db2.gz AVZPMGHKDLBMQW-XPUUQOCRSA-N -2 3 272.326 1.788 20 0 CDADHL Cc1ncc(Nc2ccc(CC(=O)[O-])cc2)c(=O)[n-]1 ZINC001174950598 913414096 /nfs/dbraw/zinc/41/40/96/913414096.db2.gz TZLZRJLUYOJOHS-UHFFFAOYSA-N -2 3 259.265 1.861 20 0 CDADHL Cc1cc(Nc2c(N)[nH]c(=O)[n-]c2=O)cc(C(=O)[O-])c1 ZINC001211537748 896698689 /nfs/dbraw/zinc/69/86/89/896698689.db2.gz ZHCJTYNMOMDLHO-UHFFFAOYSA-N -2 3 276.252 1.220 20 0 CDADHL Cc1cc(C(=O)NCCCCP(=O)([O-])[O-])ccn1 ZINC001188790727 921194043 /nfs/dbraw/zinc/19/40/43/921194043.db2.gz HKPGLQLAGDXMSF-UHFFFAOYSA-N -2 3 272.241 1.078 20 0 CDADHL O=P([O-])([O-])CCOC1CCN(c2ccccc2)CC1 ZINC001224602664 909917759 /nfs/dbraw/zinc/91/77/59/909917759.db2.gz SDXFLUROQKGKBJ-UHFFFAOYSA-N -2 3 285.280 1.850 20 0 CDADHL Cc1cc(C)cc(NC(=O)NCCP(=O)([O-])[O-])c1 ZINC001202850163 936553211 /nfs/dbraw/zinc/55/32/11/936553211.db2.gz UEOINMHDHNIBBG-UHFFFAOYSA-N -2 3 272.241 1.603 20 0 CDADHL COc1ccc(F)c(S(=O)(=O)[N-][C@@H]2[CH]CC=C2)c1 ZINC001196798062 924982640 /nfs/dbraw/zinc/98/26/40/924982640.db2.gz UCXVVXWIYMQLDM-VIFPVBQESA-N -2 3 270.305 1.645 20 0 CDADHL CC(C)(C)NC(=O)NCCCCP(=O)([O-])[O-] ZINC001202487695 927954901 /nfs/dbraw/zinc/95/49/01/927954901.db2.gz POIYFPNXSOPPBD-UHFFFAOYSA-N -2 3 252.251 1.042 20 0 CDADHL CCOc1nc([N-]C(=O)c2cc(Cl)no2)n[n-]1 ZINC001152343606 937354859 /nfs/dbraw/zinc/35/48/59/937354859.db2.gz ZWRUSGCOESGNIH-UHFFFAOYSA-N -2 3 257.637 1.097 20 0 CDADHL Cc1ccc2ncc([O-])c(C(=O)NCc3n[nH]c(=O)[n-]3)c2c1 ZINC001154533570 937554783 /nfs/dbraw/zinc/55/47/83/937554783.db2.gz KMYRTKITRMWLOP-UHFFFAOYSA-N -2 3 299.290 1.003 20 0 CDADHL CCC(CC)(NC(=O)c1cccc(F)c1[O-])c1nn[n-]n1 ZINC001412108316 932269924 /nfs/dbraw/zinc/26/99/24/932269924.db2.gz LDNKBCHWHWAOOT-UHFFFAOYSA-N -2 3 293.302 1.490 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1ccc[nH]c1=S ZINC001147686693 932576147 /nfs/dbraw/zinc/57/61/47/932576147.db2.gz XXFBTQKKBZGKFI-UHFFFAOYSA-N -2 3 290.281 1.058 20 0 CDADHL Cc1ccsc1S(=O)(=O)[N-]c1cncc([O-])c1 ZINC001260062595 936050919 /nfs/dbraw/zinc/05/09/19/936050919.db2.gz IVIDFDINTVGBPD-UHFFFAOYSA-N -2 3 270.335 1.958 20 0 CDADHL O=P([O-])([O-])CCO[C@H]1C[C@@H](OCc2ccccc2)C1 ZINC001224602290 941774185 /nfs/dbraw/zinc/77/41/85/941774185.db2.gz PRUNCSNXMYSFTF-BETUJISGSA-N -2 3 286.264 1.929 20 0 CDADHL COC(=O)[C@@H](OCCP(=O)([O-])[O-])c1ccc(F)cc1 ZINC001224608118 941775307 /nfs/dbraw/zinc/77/53/07/941775307.db2.gz ZHMBJDNAEDHRRX-JTQLQIEISA-N -2 3 292.199 1.234 20 0 CDADHL C[C@@H](OCCCCP(=O)([O-])[O-])C(F)(F)F ZINC001225021389 941813796 /nfs/dbraw/zinc/81/37/96/941813796.db2.gz GZXWKSOBVJSXMT-ZCFIWIBFSA-N -2 3 250.153 1.912 20 0 CDADHL CCOC(=O)[C@@H]1CCC[C@H]1OCCCCP(=O)([O-])[O-] ZINC001225022368 941815919 /nfs/dbraw/zinc/81/59/19/941815919.db2.gz NYHJVTZAKKVTJS-GHMZBOCLSA-N -2 3 294.284 1.693 20 0 CDADHL O=c1nc(O[C@@H]2CCC(=O)c3ccccc32)[n-]c(=O)[n-]1 ZINC001227566585 942189928 /nfs/dbraw/zinc/18/99/28/942189928.db2.gz HZZFLIQPEZQEHU-SNVBAGLBSA-N -2 3 273.248 1.379 20 0 CDADHL O=C1[N-]S(=O)(=O)c2cc(-c3ccc(F)c([O-])c3)ccc21 ZINC001243052564 946998254 /nfs/dbraw/zinc/99/82/54/946998254.db2.gz ZWOJKLGGJLQNRL-UHFFFAOYSA-N -2 3 293.275 1.630 20 0 CDADHL Cc1cc2c(c(-c3c([O-])cccc3F)n1)C(=O)[N-]C2=O ZINC001245652664 947798142 /nfs/dbraw/zinc/79/81/42/947798142.db2.gz GTBVLKKZJMXYGC-UHFFFAOYSA-N -2 3 272.235 1.785 20 0 CDADHL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000398750909 951606609 /nfs/dbraw/zinc/60/66/09/951606609.db2.gz VWHDTJSMTSEOJA-RKDXNWHRSA-N -2 3 279.292 1.281 20 0 CDADHL Cc1oc(C(C)C)nc1C(=O)[N-]c1ncn(CC(=O)[O-])n1 ZINC001594507313 955371730 /nfs/dbraw/zinc/37/17/30/955371730.db2.gz WGFZHFVVDBIGKK-UHFFFAOYSA-N -2 3 293.283 1.035 20 0 CDADHL CCCCC[C@H](C)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000037732068 957323484 /nfs/dbraw/zinc/32/34/84/957323484.db2.gz PJZQHDAYMKFQCC-QMMMGPOBSA-N -2 3 289.357 1.355 20 0 CDADHL C[C@H](C[N-]S(=O)(=O)c1scnc1C(=O)[O-])C1CC1 ZINC000124821048 958546966 /nfs/dbraw/zinc/54/69/66/958546966.db2.gz KYFFJAKVOOQBMD-ZCFIWIBFSA-N -2 3 290.366 1.166 20 0 CDADHL CC(C)(NCc1nnc(-c2ccccc2[O-])o1)C(=O)[O-] ZINC001588795489 961385087 /nfs/dbraw/zinc/38/50/87/961385087.db2.gz BAHUAKLETJBPHM-UHFFFAOYSA-N -2 3 277.280 1.395 20 0 CDADHL Cc1cc(C(=O)[O-])cc(C(=O)NCc2ncccc2[O-])c1 ZINC001605141082 972818369 /nfs/dbraw/zinc/81/83/69/972818369.db2.gz OTBVANZPKACONR-UHFFFAOYSA-N -2 3 286.287 1.724 20 0 CDADHL O=C([O-])[C@H](CNC(=O)c1c([O-])cccc1O)CC1CC1 ZINC000405667385 973901694 /nfs/dbraw/zinc/90/16/94/973901694.db2.gz JJKUSYUSPJKWJQ-VIFPVBQESA-N -2 3 279.292 1.329 20 0 CDADHL CC[C@](C)([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C1CC1 ZINC000691639992 976379702 /nfs/dbraw/zinc/37/97/02/976379702.db2.gz PRSDYOPJLJEZOX-LBPRGKRZSA-N -2 3 287.337 1.835 20 0 CDADHL CCC[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)OC ZINC000694223571 976684998 /nfs/dbraw/zinc/68/49/98/976684998.db2.gz VIUYRAPBBKEEEA-VIFPVBQESA-N -2 3 291.325 1.071 20 0 CDADHL Cc1cccc([O-])c1C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-] ZINC000706570810 977355219 /nfs/dbraw/zinc/35/52/19/977355219.db2.gz CWLMIOGSHNGBOS-ZETCQYMHSA-N -2 3 291.225 1.836 20 0 CDADHL C=C/C=C/CC[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000713495503 977639941 /nfs/dbraw/zinc/63/99/41/977639941.db2.gz WHPKAXMALPZXPI-ONEGZZNKSA-N -2 3 288.350 1.252 20 0 CDADHL CC[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C1CC1 ZINC001605104726 1163452747 /nfs/dbraw/zinc/45/27/47/1163452747.db2.gz ITSJRMVMECDOFQ-SSDOTTSWSA-N -2 3 290.366 1.308 20 0 CDADHL CCOc1nnc(NC(=O)c2ccc(C)c(C(=O)[O-])c2)[n-]1 ZINC001605719775 1163650304 /nfs/dbraw/zinc/65/03/04/1163650304.db2.gz URAFDZYUGIDWRT-UHFFFAOYSA-N -2 3 290.279 1.462 20 0 CDADHL CCOc1nc(NC(=O)c2ccc(C)c(C(=O)[O-])c2)n[n-]1 ZINC001605719775 1163650309 /nfs/dbraw/zinc/65/03/09/1163650309.db2.gz URAFDZYUGIDWRT-UHFFFAOYSA-N -2 3 290.279 1.462 20 0 CDADHL CCOc1n[n-]c(NC(=O)c2ccc(C)c(C(=O)[O-])c2)n1 ZINC001605719775 1163650312 /nfs/dbraw/zinc/65/03/12/1163650312.db2.gz URAFDZYUGIDWRT-UHFFFAOYSA-N -2 3 290.279 1.462 20 0 CDADHL O=C([O-])C[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001574892757 1171040878 /nfs/dbraw/zinc/04/08/78/1171040878.db2.gz IUZOJNBOAFNREQ-UHFFFAOYSA-N -2 3 298.345 1.173 20 0 CDADHL CCC[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1nnn[n-]1 ZINC000295012936 199300314 /nfs/dbraw/zinc/30/03/14/199300314.db2.gz PTPKAWYPPHIZAL-SNVBAGLBSA-N -2 3 295.730 1.830 20 0 CDADHL CCC[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1nn[n-]n1 ZINC000295012936 199300315 /nfs/dbraw/zinc/30/03/15/199300315.db2.gz PTPKAWYPPHIZAL-SNVBAGLBSA-N -2 3 295.730 1.830 20 0 CDADHL CC(C)(NC(=O)c1ccc(Cl)cc1[O-])c1nnn[n-]1 ZINC000095204119 345762378 /nfs/dbraw/zinc/76/23/78/345762378.db2.gz VQDOTAMEZNAAFE-UHFFFAOYSA-N -2 3 281.703 1.224 20 0 CDADHL CC(C)(NC(=O)c1ccc(Cl)cc1[O-])c1nn[n-]n1 ZINC000095204119 345762380 /nfs/dbraw/zinc/76/23/80/345762380.db2.gz VQDOTAMEZNAAFE-UHFFFAOYSA-N -2 3 281.703 1.224 20 0 CDADHL CSCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000035124520 355981479 /nfs/dbraw/zinc/98/14/79/355981479.db2.gz SSAJQKLLTXUDNE-UHFFFAOYSA-N -2 3 281.380 1.088 20 0 CDADHL COc1ccc([O-])c(C(=O)N(CC(=O)[O-])C2CC2)c1 ZINC000037588677 356912506 /nfs/dbraw/zinc/91/25/06/356912506.db2.gz CRFYCPDPZTXDSC-UHFFFAOYSA-N -2 3 265.265 1.090 20 0 CDADHL O=C([O-])C[C@@H]1CCCN(C(=O)c2ccc3n[n-]nc3c2)C1 ZINC000054295787 358710805 /nfs/dbraw/zinc/71/08/05/358710805.db2.gz HIQNCSQHZRNFNT-VIFPVBQESA-N -2 3 288.307 1.285 20 0 CDADHL O=C([O-])C[C@H]1CCCN1C(=O)c1ccc2n[n-]nc2c1 ZINC000042144991 358902773 /nfs/dbraw/zinc/90/27/73/358902773.db2.gz YRFKENZJDGEFJN-SECBINFHSA-N -2 3 274.280 1.037 20 0 CDADHL O=C([O-])C[C@@H]1CCCN1C(=O)c1ccc2n[n-]nc2c1 ZINC000042144992 358902991 /nfs/dbraw/zinc/90/29/91/358902991.db2.gz YRFKENZJDGEFJN-VIFPVBQESA-N -2 3 274.280 1.037 20 0 CDADHL Cc1ncc(S(=O)(=O)[N-][C@@H](C)CCCC(=O)[O-])s1 ZINC000230102698 360241864 /nfs/dbraw/zinc/24/18/64/360241864.db2.gz PLKMJCDCSFOSHY-ZETCQYMHSA-N -2 3 292.382 1.373 20 0 CDADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C1CCCC1 ZINC000566912943 370839870 /nfs/dbraw/zinc/83/98/70/370839870.db2.gz NFKUBWAQXQSXAJ-UHFFFAOYSA-N -2 3 276.339 1.062 20 0 CDADHL CC(C)(CCNC(=O)N=c1cc2ccccn2[n-]1)C(=O)[O-] ZINC000581305228 372931356 /nfs/dbraw/zinc/93/13/56/372931356.db2.gz XMONHFKVZTUXQY-UHFFFAOYSA-N -2 3 290.323 1.379 20 0 CDADHL COc1ccc(NC(=O)C(=O)c2ccc([O-])cc2)c([O-])c1 ZINC000436566200 541933297 /nfs/dbraw/zinc/93/32/97/541933297.db2.gz VZVIQFQRDRCRHF-UHFFFAOYSA-N -2 3 287.271 1.928 20 0 CDADHL CCCCc1n[n-]c(=NC(=O)c2cc(=O)cc(O)[n-]2)s1 ZINC000646625873 392600828 /nfs/dbraw/zinc/60/08/28/392600828.db2.gz IZYULGNHXJMGEQ-UHFFFAOYSA-N -2 3 294.336 1.361 20 0 CDADHL CC(=O)c1ccc(C(=O)N(CC(=O)[O-])C2CCC2)cc1[O-] ZINC000656232573 413128476 /nfs/dbraw/zinc/12/84/76/413128476.db2.gz VTBCJSWFTYDZFA-UHFFFAOYSA-N -2 3 291.303 1.674 20 0 CDADHL CCC[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)C(=O)[O-] ZINC000036836889 398042741 /nfs/dbraw/zinc/04/27/41/398042741.db2.gz VEKZSVTWRDICRY-LBPRGKRZSA-N -2 3 288.303 1.511 20 0 CDADHL CCCC[C@H](NC(=O)c1cc(OC)ccc1[O-])C(=O)[O-] ZINC000035410295 172181148 /nfs/dbraw/zinc/18/11/48/172181148.db2.gz MGLSRFXXAZANFC-NSHDSACASA-N -2 3 281.308 1.774 20 0 CDADHL CC(C)(F)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000656721863 413609081 /nfs/dbraw/zinc/60/90/81/413609081.db2.gz XGGGZWHOVCGLLG-UHFFFAOYSA-N -2 3 295.357 1.863 20 0 CDADHL CCN(C(=O)c1ccc(C)cc1[O-])[C@@H](C)C(=O)[O-] ZINC000663125839 413972492 /nfs/dbraw/zinc/97/24/92/413972492.db2.gz SLQQVKAAHUGQNH-VIFPVBQESA-N -2 3 251.282 1.636 20 0 CDADHL CC(C)[C@@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)C(=O)[O-] ZINC000037406035 173182100 /nfs/dbraw/zinc/18/21/00/173182100.db2.gz GBOYEWJMXXSLOK-SNVBAGLBSA-N -2 3 293.291 1.352 20 0 CDADHL CC[C@H](C)[C@@H](NC(=O)c1ccc2n[n-]nc2c1)C(=O)[O-] ZINC000037448517 173215956 /nfs/dbraw/zinc/21/59/56/173215956.db2.gz UQBXEEZFFZAVNZ-WRWORJQWSA-N -2 3 276.296 1.187 20 0 CDADHL C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000071207419 176080857 /nfs/dbraw/zinc/08/08/57/176080857.db2.gz SJJWCXBXBNHMMV-JGVFFNPUSA-N -2 3 273.310 1.445 20 0 CDADHL COc1ccc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])c([O-])c1 ZINC000094702733 265249038 /nfs/dbraw/zinc/24/90/38/265249038.db2.gz JSJJIYURYRGVFG-SNVBAGLBSA-N -2 3 295.335 1.878 20 0 CDADHL CCc1cc(=O)[n-]c(CN2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)n1 ZINC000652512853 424513850 /nfs/dbraw/zinc/51/38/50/424513850.db2.gz QIYQALDTUWWITI-NWDGAFQWSA-N -2 3 291.351 1.287 20 0 CDADHL Cc1nnsc1C(=O)[N-]c1n[n-]c(-c2ccco2)n1 ZINC000191497081 270290907 /nfs/dbraw/zinc/29/09/07/270290907.db2.gz FAHATFZJNOTMAC-UHFFFAOYSA-N -2 3 276.281 1.477 20 0 CDADHL CCc1cc(=O)[n-]c(CN2[C@H](C)C[C@@H](C(=O)[O-])C[C@@H]2C)n1 ZINC000530174211 271130533 /nfs/dbraw/zinc/13/05/33/271130533.db2.gz IUYWWCLVPQGBJC-JGPRNRPPSA-N -2 3 293.367 1.818 20 0 CDADHL CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000562999008 293240132 /nfs/dbraw/zinc/24/01/32/293240132.db2.gz FSWHSEIUTMKVPV-WCBMZHEXSA-N -2 3 275.326 1.303 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]C(C2CC2)C2CC2)cc1C(=O)[O-] ZINC000579227243 324133087 /nfs/dbraw/zinc/13/30/87/324133087.db2.gz XHITUCQHJTVKDO-UHFFFAOYSA-N -2 3 299.348 1.753 20 0 CDADHL C[C@@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1nccs1 ZINC001233939006 1161099229 /nfs/dbraw/zinc/09/92/29/1161099229.db2.gz GHOKXUFTSMQFKZ-RXMQYKEDSA-N -2 3 263.282 1.243 20 0 CDADHL COc1ccc([O-])c(C(=O)NCc2ccc(C(=O)[O-])o2)c1 ZINC000094554653 536820872 /nfs/dbraw/zinc/82/08/72/536820872.db2.gz WPHFJUOZROOFFD-UHFFFAOYSA-N -2 3 291.259 1.622 20 0 CDADHL Cc1nocc1S(=O)(=O)[N-]C1(C(=O)[O-])CCCCC1 ZINC001600818761 1174628334 /nfs/dbraw/zinc/62/83/34/1174628334.db2.gz WVVKDNUYXHOUTF-UHFFFAOYSA-N -2 3 288.325 1.049 20 0 CDADHL Cc1ccc([O-])c(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000738637212 576098181 /nfs/dbraw/zinc/09/81/81/576098181.db2.gz VLAVXHCQNYTMRF-JTQLQIEISA-N -2 3 278.308 1.573 20 0 CDADHL Nc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)c([O-])c1 ZINC000763097182 576712241 /nfs/dbraw/zinc/71/22/41/576712241.db2.gz OAECJXQIJOKSKQ-ZDUSSCGKSA-N -2 3 286.287 1.530 20 0 CDADHL O=C([O-])c1cccc(C(=O)Nc2cc(F)ccc2[O-])n1 ZINC001602432758 1175237033 /nfs/dbraw/zinc/23/70/33/1175237033.db2.gz FYXRDFDGAZXMCU-UHFFFAOYSA-N -2 3 276.223 1.877 20 0 CDADHL COc1cc(C(=O)N2CCC[C@@H]2C(=O)[O-])cc(OC)c1[O-] ZINC000820759251 598208446 /nfs/dbraw/zinc/20/84/46/598208446.db2.gz LFWXTCOQLMQAIW-SECBINFHSA-N -2 3 295.291 1.099 20 0 CDADHL CSC(C)(C)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000133870823 600709746 /nfs/dbraw/zinc/70/97/46/600709746.db2.gz GOCLLHUBGMAQKQ-UHFFFAOYSA-N -2 3 293.366 1.398 20 0 CDADHL O=C([O-])C[C@H]1CCCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000909493817 619401503 /nfs/dbraw/zinc/40/15/03/619401503.db2.gz HZHISUZZKTYZNX-LLVKDONJSA-N -2 3 295.310 1.930 20 0 CDADHL O=S(=O)(CCCCF)[N-]c1n[n-]c(C(F)F)n1 ZINC000903150313 625875871 /nfs/dbraw/zinc/87/58/71/625875871.db2.gz POGVSENSEQQGKH-UHFFFAOYSA-N -2 3 272.252 1.234 20 0 CDADHL Cc1cc(F)c(CN[C@@H](CC(=O)[O-])C(=O)[O-])c(Cl)c1 ZINC000904053660 626183271 /nfs/dbraw/zinc/18/32/71/626183271.db2.gz RLUJDKOGEQOBMK-JTQLQIEISA-N -2 3 289.690 1.805 20 0 CDADHL CC(=O)c1ccc(C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)cc1[O-] ZINC000909802297 628680226 /nfs/dbraw/zinc/68/02/26/628680226.db2.gz CATFHLOMJWGOCA-LDYMZIIASA-N -2 3 291.303 1.530 20 0 CDADHL Cc1cccc(CO[N-]C(=O)CC(C)(C)CC(=O)[O-])n1 ZINC000911822052 629550705 /nfs/dbraw/zinc/55/07/05/629550705.db2.gz LZUSHNYEEJJCAV-UHFFFAOYSA-N -2 3 280.324 1.829 20 0 CDADHL CC[C@@H](CNC(=O)c1ccc(C(C)=O)c([O-])c1)C(=O)[O-] ZINC001605038513 1163426843 /nfs/dbraw/zinc/42/68/43/1163426843.db2.gz YZQLVZLXYIQXFQ-VIFPVBQESA-N -2 3 279.292 1.435 20 0 CDADHL O=C(Nc1ccc(F)cc1[O-])c1ccc(-c2nnn[n-]2)o1 ZINC001609565243 1164989390 /nfs/dbraw/zinc/98/93/90/1164989390.db2.gz SWHVCUFERSPEIQ-UHFFFAOYSA-N -2 3 289.226 1.557 20 0 CDADHL CCCO[N-]C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001590644674 1173480203 /nfs/dbraw/zinc/48/02/03/1173480203.db2.gz LHORZSQDIZLBGE-UHFFFAOYSA-N -2 3 287.323 1.356 20 0 CDADHL CCCO[N-]C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001590644674 1173480210 /nfs/dbraw/zinc/48/02/10/1173480210.db2.gz LHORZSQDIZLBGE-UHFFFAOYSA-N -2 3 287.323 1.356 20 0 CDADHL Cc1nc(N[C@@H](C)[C@H](C)C(=O)[O-])ccc1-c1nnn[n-]1 ZINC001592377334 1173874569 /nfs/dbraw/zinc/87/45/69/1173874569.db2.gz SSVHBVIBKBKWDN-BQBZGAKWSA-N -2 3 276.300 1.091 20 0 CDADHL Cc1nc(N[C@@H](C)[C@H](C)C(=O)[O-])ccc1-c1nn[n-]n1 ZINC001592377334 1173874571 /nfs/dbraw/zinc/87/45/71/1173874571.db2.gz SSVHBVIBKBKWDN-BQBZGAKWSA-N -2 3 276.300 1.091 20 0 CDADHL Cn1cc(/C=C2/C(=O)[N-]C(=O)c3ccccc32)cc1C(=O)[O-] ZINC001600947518 1174673172 /nfs/dbraw/zinc/67/31/72/1174673172.db2.gz VOWBFYQSISEZNT-WUXMJOGZSA-N -2 3 296.282 1.534 20 0 CDADHL O=C([O-])CC1(CNC(=O)c2c([O-])cccc2O)CCCC1 ZINC001601918890 1175066653 /nfs/dbraw/zinc/06/66/53/1175066653.db2.gz UBONVLQZKNFSGC-UHFFFAOYSA-N -2 3 293.319 1.863 20 0 CDADHL O=C([O-])c1ccc(Cl)c(C(=O)[N-]N2CCOC2=O)c1 ZINC001602355920 1175222576 /nfs/dbraw/zinc/22/25/76/1175222576.db2.gz HBNNWBKTODDVTH-UHFFFAOYSA-N -2 3 284.655 1.135 20 0 CDADHL CC1(C)CCC[C@H]1[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871993708 823879945 /nfs/dbraw/zinc/87/99/45/823879945.db2.gz OHVUUAWKUYSBIT-SECBINFHSA-N -2 3 287.337 1.835 20 0 CDADHL O=S(=O)([N-]c1nc2c(cccc2[O-])s1)c1ncc[nH]1 ZINC001190680611 922131139 /nfs/dbraw/zinc/13/11/39/922131139.db2.gz AVSDCGPJBXTEHY-UHFFFAOYSA-N -2 3 296.333 1.526 20 0 CDADHL Cc1ccc([O-])c(C(=O)Nc2ccccc2-c2nnn[n-]2)n1 ZINC001195326083 924528393 /nfs/dbraw/zinc/52/83/93/924528393.db2.gz LVGZJEBMNIBDLQ-UHFFFAOYSA-N -2 3 296.290 1.528 20 0 CDADHL Cc1nc(NC(=O)c2cc(Cl)ncc2[O-])cc(=O)[n-]1 ZINC001196386509 924889379 /nfs/dbraw/zinc/88/93/79/924889379.db2.gz ADUGEJFLDROOKR-UHFFFAOYSA-N -2 3 280.671 1.497 20 0 CDADHL O=P([O-])([O-])CCOC[C@H]1CC[C@@]2(CCCCO2)O1 ZINC001224601461 941774165 /nfs/dbraw/zinc/77/41/65/941774165.db2.gz HKAPARCZJXMXMU-GHMZBOCLSA-N -2 3 280.257 1.257 20 0 CDADHL CCC[C@@H](CC(=O)OCC)OCCP(=O)([O-])[O-] ZINC001224605358 941775876 /nfs/dbraw/zinc/77/58/76/941775876.db2.gz IBSISXOULKFWIT-VIFPVBQESA-N -2 3 268.246 1.303 20 0 CDADHL CC(C)CCOC(=O)[C@H](C)OCCCCP(=O)([O-])[O-] ZINC001225018909 941815320 /nfs/dbraw/zinc/81/53/20/941815320.db2.gz LIJMSJIRKYJHQL-NSHDSACASA-N -2 3 296.300 1.939 20 0 CDADHL CCCC(=O)[C@@H](CCC)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227565984 942189360 /nfs/dbraw/zinc/18/93/60/942189360.db2.gz DPQMFBLJBGCWRM-MRVPVSSYSA-N -2 3 255.274 1.200 20 0 CDADHL O=C([O-])C1=NO[C@@H](C(=O)Nc2cc(Cl)ccc2[O-])C1 ZINC001611361365 971005455 /nfs/dbraw/zinc/00/54/55/971005455.db2.gz BYMYWOWXHNUDTK-SECBINFHSA-N -2 3 284.655 1.214 20 0 CDADHL O=C1[N-]S(=O)(=O)c2ccc(-c3ccc(F)cc3[O-])cc21 ZINC001242218253 946639783 /nfs/dbraw/zinc/63/97/83/946639783.db2.gz YZJARHHAJMPHQV-UHFFFAOYSA-N -2 3 293.275 1.630 20 0 CDADHL O=C([O-])c1n[nH]cc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC001595274254 949889808 /nfs/dbraw/zinc/88/98/08/949889808.db2.gz XUGXWJIMSXCYQT-UHFFFAOYSA-N -2 3 298.258 1.202 20 0 CDADHL O=C([O-])COC(=O)CCCc1ccc([O-])c(F)c1 ZINC001595102995 951868931 /nfs/dbraw/zinc/86/89/31/951868931.db2.gz HIQXDMITNYEAPB-UHFFFAOYSA-N -2 3 256.229 1.482 20 0 CDADHL COc1cccc([O-])c1C(=O)N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000404739190 953380922 /nfs/dbraw/zinc/38/09/22/953380922.db2.gz VUMXJNPSOPMNKL-VHSXEESVSA-N -2 3 293.319 1.584 20 0 CDADHL CC(C)C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000385396199 971998687 /nfs/dbraw/zinc/99/86/87/971998687.db2.gz URBFUMONQAVZHW-RKDXNWHRSA-N -2 3 287.337 1.691 20 0 CDADHL Cc1cccc([O-])c1C(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC000706609560 954953224 /nfs/dbraw/zinc/95/32/24/954953224.db2.gz DGUBEHCEIFIIHY-ZJUUUORDSA-N -2 3 263.293 1.684 20 0 CDADHL CCC[C@@](C)(NC(=O)c1ccccc1[O-])C(=O)[O-] ZINC000036337395 957229631 /nfs/dbraw/zinc/22/96/31/957229631.db2.gz CMPNOUGFFCDANX-CYBMUJFWSA-N -2 3 251.282 1.765 20 0 CDADHL CC(=O)c1ccc(C(=O)NC(C)(C)CCC(=O)[O-])cc1[O-] ZINC001588528172 958882875 /nfs/dbraw/zinc/88/28/75/958882875.db2.gz CECUZOPCPDVGAT-UHFFFAOYSA-N -2 3 293.319 1.968 20 0 CDADHL O=C([O-])C[C@@H]1COCCN1Cc1ccc([O-])c(F)c1 ZINC000232449166 960275797 /nfs/dbraw/zinc/27/57/97/960275797.db2.gz NHNPLVQALJTCGK-SNVBAGLBSA-N -2 3 269.272 1.207 20 0 CDADHL CC(C)[C@@H](CNC(=O)c1cccc2n[n-]nc21)C(=O)[O-] ZINC001588830265 961703444 /nfs/dbraw/zinc/70/34/44/961703444.db2.gz UFVQXWIUOQZWST-SECBINFHSA-N -2 3 276.296 1.045 20 0 CDADHL CCc1ccc(C(=O)N(C)[C@@H](CC)C(=O)[O-])c([O-])c1 ZINC001603969154 974455560 /nfs/dbraw/zinc/45/55/60/974455560.db2.gz ABRAHFGCGLLDKN-NSHDSACASA-N -2 3 265.309 1.890 20 0 CDADHL C[C@@]1([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC=CCC1 ZINC000694209413 976681038 /nfs/dbraw/zinc/68/10/38/976681038.db2.gz MJBBMVCEHNEIFZ-GFCCVEGCSA-N -2 3 285.321 1.755 20 0 CDADHL CC(F)(F)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000697567360 976848601 /nfs/dbraw/zinc/84/86/01/976848601.db2.gz IYOHJCLGDASNOA-UHFFFAOYSA-N -2 3 285.293 1.380 20 0 CDADHL CC(C)(CNC(=O)c1c([O-])cccc1O)CC(=O)[O-] ZINC000720944190 978089387 /nfs/dbraw/zinc/08/93/87/978089387.db2.gz NHVZRPCJCOCRLB-UHFFFAOYSA-N -2 3 267.281 1.329 20 0 CDADHL CCCc1nc(C)c(C(=O)[N-]c2nc(C(=O)[O-])ns2)o1 ZINC001596082451 983401003 /nfs/dbraw/zinc/40/10/03/983401003.db2.gz XSQMQUWXCXITLC-UHFFFAOYSA-N -2 3 296.308 1.738 20 0 CDADHL CCc1ccc([O-])c(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])c1 ZINC001597556396 988288509 /nfs/dbraw/zinc/28/85/09/988288509.db2.gz ODWJULLFTZUZQV-ONGXEEELSA-N -2 3 281.283 1.592 20 0 CDADHL C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001599881362 989488922 /nfs/dbraw/zinc/48/89/22/989488922.db2.gz ZIRCYPCAAHEXCF-LURQLKTLSA-N -2 3 285.321 1.301 20 0 CDADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C1CCCCC1 ZINC000134660381 342071200 /nfs/dbraw/zinc/07/12/00/342071200.db2.gz XLXFYUJJRYIVRV-UHFFFAOYSA-N -2 3 290.366 1.452 20 0 CDADHL Cc1cccc([N-]S(=O)(=O)C[C@@H]2CCCO2)c1[O-] ZINC000093655157 539035602 /nfs/dbraw/zinc/03/56/02/539035602.db2.gz WBGPWGIPHBGNOG-JTQLQIEISA-N -2 3 271.338 1.621 20 0 CDADHL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000197403426 342437493 /nfs/dbraw/zinc/43/74/93/342437493.db2.gz HBSLBQFRQIWOOD-MRVPVSSYSA-N -2 3 291.394 1.916 20 0 CDADHL Cc1cccc([O-])c1C(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000626237828 344175482 /nfs/dbraw/zinc/17/54/82/344175482.db2.gz JGJFGNWNZVKDEN-SNVBAGLBSA-N -2 3 287.323 1.234 20 0 CDADHL Cc1cccc([O-])c1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000626237828 344175485 /nfs/dbraw/zinc/17/54/85/344175485.db2.gz JGJFGNWNZVKDEN-SNVBAGLBSA-N -2 3 287.323 1.234 20 0 CDADHL Cc1cccc(C(=O)N[C@H]2CCC[C@@H]2C(=O)[O-])c1[O-] ZINC000085321370 179015076 /nfs/dbraw/zinc/01/50/76/179015076.db2.gz VSBGSELGNMAVAK-ONGXEEELSA-N -2 3 263.293 1.684 20 0 CDADHL C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccccc1[O-] ZINC000263516393 357537468 /nfs/dbraw/zinc/53/74/68/357537468.db2.gz OWRIRQMDMCZROL-NXEZZACHSA-N -2 3 263.293 1.718 20 0 CDADHL C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccccc1[O-] ZINC000263516394 357537839 /nfs/dbraw/zinc/53/78/39/357537839.db2.gz OWRIRQMDMCZROL-UWVGGRQHSA-N -2 3 263.293 1.718 20 0 CDADHL O=C([O-])C1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000263285996 359254026 /nfs/dbraw/zinc/25/40/26/359254026.db2.gz UPUMQRHAODCUQO-UHFFFAOYSA-N -2 3 296.298 1.538 20 0 CDADHL C[C@H](O[C@@H](C)C(=O)Nc1cc(F)ccc1[O-])C(=O)[O-] ZINC000421803929 359432793 /nfs/dbraw/zinc/43/27/93/359432793.db2.gz IVPAYXJEXZUIJW-BQBZGAKWSA-N -2 3 271.244 1.348 20 0 CDADHL O=C(N=c1nc(Cc2ccccc2)[n-]s1)c1cn[n-]c1 ZINC000337406473 360113218 /nfs/dbraw/zinc/11/32/18/360113218.db2.gz NYFYSPVDLMHPLF-UHFFFAOYSA-N -2 3 285.332 1.526 20 0 CDADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C(=O)[O-] ZINC000231806628 360483175 /nfs/dbraw/zinc/48/31/75/360483175.db2.gz ZOLAQKFAXDSABM-ZCFIWIBFSA-N -2 3 297.785 1.851 20 0 CDADHL Cc1ncc(CNC(=O)c2ccc([O-])cc2F)c(=O)[n-]1 ZINC000436826040 364296103 /nfs/dbraw/zinc/29/61/03/364296103.db2.gz JBDAQTJVTRKHAU-UHFFFAOYSA-N -2 3 277.255 1.265 20 0 CDADHL CC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1F)C(=O)[O-] ZINC000274889579 371195754 /nfs/dbraw/zinc/19/57/54/371195754.db2.gz FTHFZJIQYHFILW-VIFPVBQESA-N -2 3 275.301 1.276 20 0 CDADHL O=C([O-])C1(CN=c2ncnc3[nH][n-]cc2-3)CCCCC1 ZINC000573613989 371599580 /nfs/dbraw/zinc/59/95/80/371599580.db2.gz OWKCYQKKLUBVLL-UHFFFAOYSA-N -2 3 275.312 1.173 20 0 CDADHL COc1ccc(C(=O)N[C@H]2CCC[C@@]2(C)C(=O)[O-])c([O-])c1 ZINC000164565088 375918295 /nfs/dbraw/zinc/91/82/95/375918295.db2.gz JRHKMVRQNIGIQT-SWLSCSKDSA-N -2 3 293.319 1.774 20 0 CDADHL O=C(N=c1ccn(CC(F)F)[nH]1)c1ccc([O-])cc1[O-] ZINC000436679015 249446081 /nfs/dbraw/zinc/44/60/81/249446081.db2.gz ITRVFACGZJTUGQ-UHFFFAOYSA-N -2 3 283.234 1.234 20 0 CDADHL Cc1[n-][nH]c(=O)c1NC(=O)c1ccc([O-])cc1F ZINC000647816146 391804667 /nfs/dbraw/zinc/80/46/67/391804667.db2.gz XYWUHSCFFXVVIB-UHFFFAOYSA-N -2 3 251.217 1.521 20 0 CDADHL CCC[C@H]([N-]S(=O)(=O)c1c(C)cccc1F)C(=O)[O-] ZINC000262454711 131222252 /nfs/dbraw/zinc/22/22/52/131222252.db2.gz RKBFNLLUAYYWSH-JTQLQIEISA-N -2 3 289.328 1.666 20 0 CDADHL COc1cccc(C(=O)Nc2c(C)[n-][nH]c2=O)c1[O-] ZINC000646412381 392422552 /nfs/dbraw/zinc/42/25/52/392422552.db2.gz FZRHWBBEJOPMSG-UHFFFAOYSA-N -2 3 263.253 1.390 20 0 CDADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccco1)c1ccccc1 ZINC000574267094 392555306 /nfs/dbraw/zinc/55/53/06/392555306.db2.gz ZPIZKWCHECIIPI-LLVKDONJSA-N -2 3 295.316 1.426 20 0 CDADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C1CC1 ZINC000645951753 393427476 /nfs/dbraw/zinc/42/74/76/393427476.db2.gz LHGYGVYNOZZGNI-LURJTMIESA-N -2 3 259.283 1.055 20 0 CDADHL CC[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C(=O)[O-] ZINC000035408605 172178684 /nfs/dbraw/zinc/17/86/84/172178684.db2.gz ASGOSUOPYBDEOS-VIFPVBQESA-N -2 3 274.276 1.121 20 0 CDADHL CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1ncccc1[O-] ZINC000663114608 413954085 /nfs/dbraw/zinc/95/40/85/413954085.db2.gz HDTQIDIGZPSYHA-LBPRGKRZSA-N -2 3 250.254 1.227 20 0 CDADHL Cc1nnc([N-]C(=O)C(=O)c2ccc([O-])cc2)n1C1CC1 ZINC000285710394 196373907 /nfs/dbraw/zinc/37/39/07/196373907.db2.gz CXTMILKVVQDVIS-UHFFFAOYSA-N -2 3 286.291 1.448 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC2=CCCC2)o1 ZINC000663450432 414261974 /nfs/dbraw/zinc/26/19/74/414261974.db2.gz ZFIFTYXBZUJRIH-UHFFFAOYSA-N -2 3 271.294 1.366 20 0 CDADHL O=C([O-])c1nscc1S(=O)(=O)[N-]CC1CC=CC1 ZINC000530151912 271117093 /nfs/dbraw/zinc/11/70/93/271117093.db2.gz QLHXMFIWCIAECH-UHFFFAOYSA-N -2 3 288.350 1.086 20 0 CDADHL CC[C@](C)([N-]S(=O)(=O)c1sc(C)nc1C)C(=O)[O-] ZINC000567381695 293772744 /nfs/dbraw/zinc/77/27/44/293772744.db2.gz DRRZCIAJVASXPY-JTQLQIEISA-N -2 3 292.382 1.292 20 0 CDADHL CCc1cc(=O)[n-]c(CN(CCC(=O)[O-])CC(C)C)n1 ZINC000563893082 316392843 /nfs/dbraw/zinc/39/28/43/316392843.db2.gz SMYQIIINGHAQAL-UHFFFAOYSA-N -2 3 281.356 1.677 20 0 CDADHL O=C([O-])CNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000095154629 1174499588 /nfs/dbraw/zinc/49/95/88/1174499588.db2.gz KCLYFUGIXAOELR-UHFFFAOYSA-N -2 3 253.649 1.017 20 0 CDADHL Cc1sc(C(=O)[O-])cc1COC(=O)c1cnn[n-]1 ZINC001600867081 1174649768 /nfs/dbraw/zinc/64/97/68/1174649768.db2.gz SERVBHDRUNXKBA-UHFFFAOYSA-N -2 3 267.266 1.230 20 0 CDADHL Cc1sc(C(=O)[O-])cc1COC(=O)c1c[n-]nn1 ZINC001600867081 1174649771 /nfs/dbraw/zinc/64/97/71/1174649771.db2.gz SERVBHDRUNXKBA-UHFFFAOYSA-N -2 3 267.266 1.230 20 0 CDADHL CC(C)c1ccc(C(=O)N(C)CC(=O)[O-])c([O-])c1 ZINC000737645732 574475382 /nfs/dbraw/zinc/47/53/82/574475382.db2.gz FBSRTFQAYRIRKI-UHFFFAOYSA-N -2 3 251.282 1.672 20 0 CDADHL CCO[N-]C(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC000737179356 575896193 /nfs/dbraw/zinc/89/61/93/575896193.db2.gz HTASRYXYYPLLNO-UHFFFAOYSA-N -2 3 282.252 1.244 20 0 CDADHL CSc1n[n-]c(NC(=O)c2cccc(NC(=O)[O-])c2)n1 ZINC000738216122 576049126 /nfs/dbraw/zinc/04/91/26/576049126.db2.gz SZBMREPCUXJGPF-UHFFFAOYSA-N -2 3 293.308 1.869 20 0 CDADHL CSc1nc(NC(=O)c2cccc(NC(=O)[O-])c2)n[n-]1 ZINC000738216122 576049128 /nfs/dbraw/zinc/04/91/28/576049128.db2.gz SZBMREPCUXJGPF-UHFFFAOYSA-N -2 3 293.308 1.869 20 0 CDADHL O=C([O-])N1CCN(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000738648030 576099488 /nfs/dbraw/zinc/09/94/88/576099488.db2.gz RJYGPFAKUSIBKR-UHFFFAOYSA-N -2 3 297.286 1.037 20 0 CDADHL Cc1cccc(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)c1[O-] ZINC000738682267 576102229 /nfs/dbraw/zinc/10/22/29/576102229.db2.gz RKCJNYNDONWZBL-SNVBAGLBSA-N -2 3 278.308 1.573 20 0 CDADHL O=C([O-])CSCC(=O)Nc1n[n-]c(-c2cccs2)n1 ZINC000740487195 576477908 /nfs/dbraw/zinc/47/79/08/576477908.db2.gz FEATVENYEHBCJL-UHFFFAOYSA-N -2 3 298.349 1.290 20 0 CDADHL C[C@H](CC(=O)[O-])N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000827381077 601121927 /nfs/dbraw/zinc/12/19/27/601121927.db2.gz YKRIWVOWZUZUMD-LLVKDONJSA-N -2 3 292.335 1.013 20 0 CDADHL CC(C)(C(=O)[O-])[C@H](NC(=O)c1cn[n-]n1)c1ccccc1 ZINC000826103118 604390896 /nfs/dbraw/zinc/39/08/96/604390896.db2.gz NIXLPKGUWOXMEM-LLVKDONJSA-N -2 3 288.307 1.387 20 0 CDADHL CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1ccc(O)cc1[O-] ZINC000827012180 604392821 /nfs/dbraw/zinc/39/28/21/604392821.db2.gz VPYXHWAMXLLKKF-LLVKDONJSA-N -2 3 297.307 1.048 20 0 CDADHL C[C@H](CNC(=O)Cc1ccc([O-])c(F)c1)CC(=O)[O-] ZINC000909487531 619390259 /nfs/dbraw/zinc/39/02/59/619390259.db2.gz XXGUFTCRHKACSI-QMMMGPOBSA-N -2 3 269.272 1.301 20 0 CDADHL CCCC[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909505859 619455030 /nfs/dbraw/zinc/45/50/30/619455030.db2.gz JYKHPXAYTGQTQO-LLVKDONJSA-N -2 3 283.299 1.833 20 0 CDADHL O=C([O-])CCNC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000908670844 628326160 /nfs/dbraw/zinc/32/61/60/628326160.db2.gz VTWGCYNINAZCRI-UHFFFAOYSA-N -2 3 277.198 1.616 20 0 CDADHL CC(C)(NC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000908837667 628386613 /nfs/dbraw/zinc/38/66/13/628386613.db2.gz XKXJSXSAKHBDRY-UHFFFAOYSA-N -2 3 255.245 1.053 20 0 CDADHL CC(=O)c1ccc(C(=O)N2CC(C)(C(=O)[O-])C2)cc1[O-] ZINC000910059319 628851936 /nfs/dbraw/zinc/85/19/36/628851936.db2.gz PPFXGQYSHNLSIY-UHFFFAOYSA-N -2 3 277.276 1.142 20 0 CDADHL O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cccc([O-])c2F)O1 ZINC000911430728 629281098 /nfs/dbraw/zinc/28/10/98/629281098.db2.gz GGNQQMVKUOKSJD-BDAKNGLRSA-N -2 3 269.228 1.102 20 0 CDADHL O=C([O-])[C@H]1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001606962393 1164038297 /nfs/dbraw/zinc/03/82/97/1164038297.db2.gz SYAGXFBPKMVCKK-IAQIWYKVSA-N -2 3 294.702 1.190 20 0 CDADHL O=C([O-])[C@H]1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001606962393 1164038301 /nfs/dbraw/zinc/03/83/01/1164038301.db2.gz SYAGXFBPKMVCKK-IAQIWYKVSA-N -2 3 294.702 1.190 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]CCCC(F)F)oc1C(=O)[O-] ZINC001607708010 1164276580 /nfs/dbraw/zinc/27/65/80/1164276580.db2.gz ZDLLLRBTTVCJOX-UHFFFAOYSA-N -2 3 297.279 1.610 20 0 CDADHL Cc1noc(C(F)F)c1C(=O)[N-]c1cc(C(=O)[O-])no1 ZINC001608024324 1164381673 /nfs/dbraw/zinc/38/16/73/1164381673.db2.gz UIMVWQYXZKMNOY-UHFFFAOYSA-N -2 3 287.178 1.859 20 0 CDADHL O=C([O-])c1cc(C(=O)Nc2cccc([O-])c2F)ccn1 ZINC001608517069 1164529880 /nfs/dbraw/zinc/52/98/80/1164529880.db2.gz IVWJHQBJCRJEKU-UHFFFAOYSA-N -2 3 276.223 1.877 20 0 CDADHL O=C([O-])[C@@]1(F)CCN(Cc2c(F)ccc([O-])c2F)C1 ZINC001608575448 1164551956 /nfs/dbraw/zinc/55/19/56/1164551956.db2.gz JILIADTUXNEDQR-GFCCVEGCSA-N -2 3 275.226 1.669 20 0 CDADHL O=C([O-])CC1(NCc2nnc(-c3ccccc3[O-])o2)CC1 ZINC001608688394 1164605060 /nfs/dbraw/zinc/60/50/60/1164605060.db2.gz LDZVULWEJNZFOL-UHFFFAOYSA-N -2 3 289.291 1.539 20 0 CDADHL O=C([O-])CCCCOC(=O)c1cccc2nn[n-]c21 ZINC001608713587 1164616339 /nfs/dbraw/zinc/61/63/39/1164616339.db2.gz OLHIDVFUDRLNGE-UHFFFAOYSA-N -2 3 263.253 1.370 20 0 CDADHL O=C([O-])CCCCOC(=O)c1cccc2[n-]nnc21 ZINC001608713587 1164616346 /nfs/dbraw/zinc/61/63/46/1164616346.db2.gz OLHIDVFUDRLNGE-UHFFFAOYSA-N -2 3 263.253 1.370 20 0 CDADHL O=C([O-])CCCCOC(=O)c1cccc2n[n-]nc21 ZINC001608713587 1164616352 /nfs/dbraw/zinc/61/63/52/1164616352.db2.gz OLHIDVFUDRLNGE-UHFFFAOYSA-N -2 3 263.253 1.370 20 0 CDADHL O=C([O-])c1ccc(C(=O)Nc2cc(F)ccc2[O-])nc1 ZINC001608875700 1164670049 /nfs/dbraw/zinc/67/00/49/1164670049.db2.gz NFVICVHNCNFCBH-UHFFFAOYSA-N -2 3 276.223 1.877 20 0 CDADHL O=C([O-])C1(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CCC1 ZINC000095157568 1166600242 /nfs/dbraw/zinc/60/02/42/1166600242.db2.gz IJMKONWKZACRSS-UHFFFAOYSA-N -2 3 287.279 1.060 20 0 CDADHL CC(=O)c1ccc(C(=O)Nc2nc(C(=O)[O-])c[nH]2)cc1[O-] ZINC001573397066 1170656858 /nfs/dbraw/zinc/65/68/58/1170656858.db2.gz DYGFJXTYXMOASU-UHFFFAOYSA-N -2 3 289.247 1.268 20 0 CDADHL CCN(C(=O)c1cc2c(cc1[O-])OCO2)C(C)(C)C(=O)[O-] ZINC001596165105 1174230678 /nfs/dbraw/zinc/23/06/78/1174230678.db2.gz KBZUYUAQEXSQPW-UHFFFAOYSA-N -2 3 295.291 1.446 20 0 CDADHL Cc1ccc(C)c(CC(=O)[N-]OCCCC(=O)[O-])c1 ZINC001600387784 1174460733 /nfs/dbraw/zinc/46/07/33/1174460733.db2.gz DCMZSMSAGGYYSN-UHFFFAOYSA-N -2 3 265.309 1.759 20 0 CDADHL Cc1nc2c(c(=O)[n-]1)CN(Cc1cccc(C(=O)[O-])c1)C2 ZINC001600719517 1174580049 /nfs/dbraw/zinc/58/00/49/1174580049.db2.gz WHUNOBVQDGURLD-UHFFFAOYSA-N -2 3 285.303 1.705 20 0 CDADHL O=C([O-])c1ccc(CC(=O)Nc2ncccc2[O-])cn1 ZINC001601359106 1174844471 /nfs/dbraw/zinc/84/44/71/1174844471.db2.gz GFWGNWRFVUQODC-UHFFFAOYSA-N -2 3 273.248 1.062 20 0 CDADHL O=C([O-])c1c(F)ccc(F)c1[N-]C(=O)c1cnsn1 ZINC001601580363 1174907306 /nfs/dbraw/zinc/90/73/06/1174907306.db2.gz QKAMYHJUASQINH-UHFFFAOYSA-N -2 3 285.231 1.767 20 0 CDADHL O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccc(Cl)cc1[O-] ZINC001601603755 1174911118 /nfs/dbraw/zinc/91/11/18/1174911118.db2.gz URDKKFBXFDWMMS-NKWVEPMBSA-N -2 3 255.657 1.705 20 0 CDADHL O=C([O-])[C@H]1CCC[C@@H](c2nc(-c3cc(=O)[n-]cn3)no2)C1 ZINC001601802690 1175013390 /nfs/dbraw/zinc/01/33/90/1175013390.db2.gz AJJDKJYZRHENIB-SFYZADRCSA-N -2 3 290.279 1.591 20 0 CDADHL O=C([O-])c1ccnc(C(=O)Nc2n[n-]c(-c3ccco3)n2)c1 ZINC001602481557 1175253948 /nfs/dbraw/zinc/25/39/48/1175253948.db2.gz QPWDTUPBIGABQF-UHFFFAOYSA-N -2 3 299.246 1.410 20 0 CDADHL CC[C@H](C(=O)[O-])N(C)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001603979045 1175705473 /nfs/dbraw/zinc/70/54/73/1175705473.db2.gz NWUVYTJWQKFCFZ-SECBINFHSA-N -2 3 297.265 1.444 20 0 CDADHL CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)C(=O)[O-] ZINC001609093297 1164766367 /nfs/dbraw/zinc/76/63/67/1164766367.db2.gz XDHYUCOQTVZSNP-JTQLQIEISA-N -2 3 290.327 1.421 20 0 CDADHL CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)C(=O)[O-] ZINC001609093297 1164766371 /nfs/dbraw/zinc/76/63/71/1164766371.db2.gz XDHYUCOQTVZSNP-JTQLQIEISA-N -2 3 290.327 1.421 20 0 CDADHL O=C([O-])CN(Cc1c(F)ccc([O-])c1F)CC1CC1 ZINC000844935329 830401549 /nfs/dbraw/zinc/40/15/49/830401549.db2.gz IEIQVMIYAQVQFZ-UHFFFAOYSA-N -2 3 271.263 1.967 20 0 CDADHL CC(C)N(CC(=O)[O-])C(=O)c1cc([O-])ccc1Cl ZINC000232666949 832278083 /nfs/dbraw/zinc/27/80/83/832278083.db2.gz GBDPOMTWAHGULD-UHFFFAOYSA-N -2 3 271.700 1.981 20 0 CDADHL Cn1ncc([N-]S(=O)(=O)C2=CCCCC2)c1C(=O)[O-] ZINC000829902558 832821551 /nfs/dbraw/zinc/82/15/51/832821551.db2.gz JIYYYLJJKVSBTB-UHFFFAOYSA-N -2 3 285.325 1.318 20 0 CDADHL CO[C@]1(C(=O)[O-])CCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000703730333 833870644 /nfs/dbraw/zinc/87/06/44/833870644.db2.gz WAPLXWHACWCZND-CYBMUJFWSA-N -2 3 299.710 1.361 20 0 CDADHL CCCC(=O)[C@@H](CCC)OCCP(=O)([O-])[O-] ZINC001224606250 909926159 /nfs/dbraw/zinc/92/61/59/909926159.db2.gz NGFKEQUNJPNTDP-SNVBAGLBSA-N -2 3 252.247 1.719 20 0 CDADHL C=CS(=O)(=O)[N-]c1ccc(Cl)cc1S(=O)(=O)[O-] ZINC001198610152 925476309 /nfs/dbraw/zinc/47/63/09/925476309.db2.gz GHQQSENEPUCUOM-UHFFFAOYSA-N -2 3 297.741 1.472 20 0 CDADHL CSc1cccc(NC(=O)NCCP(=O)([O-])[O-])c1 ZINC001188060123 920805756 /nfs/dbraw/zinc/80/57/56/920805756.db2.gz BXGZQVPRGWYOFK-UHFFFAOYSA-N -2 3 290.281 1.708 20 0 CDADHL Cc1nonc1[N-]C(=O)c1c(F)ccc([O-])c1F ZINC001192523878 923122266 /nfs/dbraw/zinc/12/22/66/923122266.db2.gz HAGPZUOREJRZCF-UHFFFAOYSA-N -2 3 255.180 1.614 20 0 CDADHL C=CS(=O)(=O)[N-]c1c([O-])cccc1C(=O)OC ZINC001198610549 925476212 /nfs/dbraw/zinc/47/62/12/925476212.db2.gz MWTOMQMWNVYHBU-UHFFFAOYSA-N -2 3 257.267 1.064 20 0 CDADHL Cc1nc(C(C)C)[n-]c(=O)c1C(=O)[N-]OCC(F)(F)F ZINC000135215059 930613020 /nfs/dbraw/zinc/61/30/20/930613020.db2.gz LMUZPNIDWZVCJQ-UHFFFAOYSA-N -2 3 293.245 1.425 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1c[nH]c2cccnc12 ZINC001153249684 937432872 /nfs/dbraw/zinc/43/28/72/937432872.db2.gz BJWQCWRYEUDULU-UHFFFAOYSA-N -2 3 297.251 1.251 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])C1=CCCCC1 ZINC001146724722 932290799 /nfs/dbraw/zinc/29/07/99/932290799.db2.gz CNMRZVJSZYWGQE-UHFFFAOYSA-N -2 3 261.258 1.561 20 0 CDADHL O=P([O-])([O-])CCCCO[C@@H]1CCOC[C@@H]1F ZINC001225020954 941814898 /nfs/dbraw/zinc/81/48/98/941814898.db2.gz YPAOSSXXWYGDQZ-DTWKUNHWSA-N -2 3 256.210 1.088 20 0 CDADHL CCCOC(=O)[C@H](C)OCCCCP(=O)([O-])[O-] ZINC001225021972 941816397 /nfs/dbraw/zinc/81/63/97/941816397.db2.gz KYVVVZNYHSGKMR-VIFPVBQESA-N -2 3 268.246 1.303 20 0 CDADHL COc1ccc([C@@H](C)Oc2nc(=O)[n-]c(=O)[n-]2)cc1OC ZINC001227570477 942190700 /nfs/dbraw/zinc/19/07/00/942190700.db2.gz LISOUKMLOATTHQ-SSDOTTSWSA-N -2 3 293.279 1.440 20 0 CDADHL Cn1ccc(S(=O)(=O)[N-]c2ccc(F)c([O-])c2)n1 ZINC001259943269 945731053 /nfs/dbraw/zinc/73/10/53/945731053.db2.gz MJGFLDSAWISZET-UHFFFAOYSA-N -2 3 271.273 1.066 20 0 CDADHL CC(C)(C)CNC(=S)NCCCCP(=O)([O-])[O-] ZINC001247992271 948920823 /nfs/dbraw/zinc/92/08/23/948920823.db2.gz CQKSMJZHQKQXIH-UHFFFAOYSA-N -2 3 282.346 1.455 20 0 CDADHL O=C([O-])[C@@H]1CC[C@H](NC(=O)c2ccc(O)cc2[O-])C1 ZINC000097055812 949195956 /nfs/dbraw/zinc/19/59/56/949195956.db2.gz RZONBVAMAUFIDE-SFYZADRCSA-N -2 3 265.265 1.081 20 0 CDADHL CC(C)C1([N-]S(=O)(=O)c2scnc2C(=O)[O-])CC1 ZINC000379717398 971654998 /nfs/dbraw/zinc/65/49/98/971654998.db2.gz NYNRHXZSHBOMPS-UHFFFAOYSA-N -2 3 290.366 1.308 20 0 CDADHL C[C@H]1CN(C(=O)c2c([O-])cccc2O)CC[C@H]1C(=O)[O-] ZINC000379985204 971668961 /nfs/dbraw/zinc/66/89/61/971668961.db2.gz KOVRFRJBUCWTHZ-DTWKUNHWSA-N -2 3 279.292 1.281 20 0 CDADHL O=C([O-])CCCC(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC001595031810 951375443 /nfs/dbraw/zinc/37/54/43/951375443.db2.gz XQVLKNHGLQFUPU-UHFFFAOYSA-N -2 3 280.280 1.358 20 0 CDADHL CCCCS(=O)(=O)[N-]c1ccc(C(N)=O)cc1[O-] ZINC001253871180 952148154 /nfs/dbraw/zinc/14/81/54/952148154.db2.gz KOYJPIKXMLPJIM-UHFFFAOYSA-N -2 3 272.326 1.033 20 0 CDADHL CCc1ccc(C(=O)N2CC[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001593635575 953608685 /nfs/dbraw/zinc/60/86/85/953608685.db2.gz WRQGISLWWDTCGV-JTQLQIEISA-N -2 3 263.293 1.501 20 0 CDADHL O=C([O-])[C@@H]1CC[C@H](NC(=O)c2cc(F)cc3n[n-]nc32)C1 ZINC001594790272 953691014 /nfs/dbraw/zinc/69/10/14/953691014.db2.gz JJNBKICCFNLABM-SVRRBLITSA-N -2 3 292.270 1.080 20 0 CDADHL CC(C)(C)[C@H](C(=O)[O-])C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC001588632352 959621747 /nfs/dbraw/zinc/62/17/47/959621747.db2.gz VGMFFXNRRFRIRB-VIFPVBQESA-N -2 3 293.323 1.208 20 0 CDADHL CC(C)c1ccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])c([O-])c1 ZINC001588962489 962626205 /nfs/dbraw/zinc/62/62/05/962626205.db2.gz GLXSXFSUHXFLHR-GFCCVEGCSA-N -2 3 293.319 1.441 20 0 CDADHL C[C@H]1CN(C(=O)c2ccccc2[O-])C[C@]1(C)C(=O)[O-] ZINC000710199306 977492386 /nfs/dbraw/zinc/49/23/86/977492386.db2.gz FNSMSXMLXRAIAY-XPTSAGLGSA-N -2 3 263.293 1.575 20 0 CDADHL CCCC[C@H](NC(=O)c1cc2c(cc1[O-])OCO2)C(=O)[O-] ZINC001595636597 981919925 /nfs/dbraw/zinc/91/99/25/981919925.db2.gz DWHQGQDQVQYYAR-VIFPVBQESA-N -2 3 295.291 1.494 20 0 CDADHL CCn1ncc([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c1C ZINC001597961033 989986363 /nfs/dbraw/zinc/98/63/63/989986363.db2.gz ZWZSZDHDMNBGLI-UHFFFAOYSA-N -2 3 289.357 1.064 20 0 CDADHL C[C@](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)(C(=O)[O-])C1CC1 ZINC001593146917 993948026 /nfs/dbraw/zinc/94/80/26/993948026.db2.gz UXQRMORYZAFVMS-CQSZACIVSA-N -2 3 291.307 1.043 20 0 CDADHL C[C@](NC(=O)c1cc(F)cc2n[n-]nc21)(C(=O)[O-])C1CC1 ZINC001593156235 993973817 /nfs/dbraw/zinc/97/38/17/993973817.db2.gz QISIVMBAKRSPOH-CYBMUJFWSA-N -2 3 292.270 1.080 20 0 CDADHL CCC(F)(F)C(=O)[N-][C@H](C(=O)[O-])c1ccccn1 ZINC001605065322 1163438839 /nfs/dbraw/zinc/43/88/39/1163438839.db2.gz UEDUUCRORBCPGV-QMMMGPOBSA-N -2 3 258.224 1.369 20 0 CDADHL COc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)CCC1CC1 ZINC001599377516 998510823 /nfs/dbraw/zinc/51/08/23/998510823.db2.gz CMPJXHGGYCBLJB-UHFFFAOYSA-N -2 3 299.348 1.935 20 0 CDADHL O=C([O-])N1CC[C@@H](NCc2ccc([O-])c(F)c2F)C1 ZINC001574376297 1170961561 /nfs/dbraw/zinc/96/15/61/1170961561.db2.gz BNSMBTPGFAHWOU-MRVPVSSYSA-N -2 3 272.251 1.512 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCS2)o1 ZINC000149641629 342071382 /nfs/dbraw/zinc/07/13/82/342071382.db2.gz VFXGBHOXDJQJQG-SSDOTTSWSA-N -2 3 291.350 1.152 20 0 CDADHL CSc1cc(C(=O)[O-])ccc1[N-]S(C)(=O)=O ZINC000013278844 539103338 /nfs/dbraw/zinc/10/33/38/539103338.db2.gz CNXLDZFPAQDJPA-UHFFFAOYSA-N -2 3 261.324 1.478 20 0 CDADHL CC(=O)c1ccc(C(=O)N2CC[C@H](C(=O)[O-])C2)cc1[O-] ZINC000572720905 362277820 /nfs/dbraw/zinc/27/78/20/362277820.db2.gz GKEFJFOBXDHSPR-JTQLQIEISA-N -2 3 277.276 1.142 20 0 CDADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)C2CC2)c1F ZINC000274929528 365858476 /nfs/dbraw/zinc/85/84/76/365858476.db2.gz CCMOJKFNRROXHT-UHFFFAOYSA-N -2 3 277.248 1.567 20 0 CDADHL O=C(Nc1ncccc1[O-])c1nn(-c2ccccc2)cc1[O-] ZINC000073050274 304017455 /nfs/dbraw/zinc/01/74/55/304017455.db2.gz FMBXRDKIFQQPSS-UHFFFAOYSA-N -2 3 296.286 1.931 20 0 CDADHL Cc1nnc(-n2[n-]c3c(c2=O)C[C@@H](C)CC3)[n-]c1=O ZINC000634586115 356465360 /nfs/dbraw/zinc/46/53/60/356465360.db2.gz CAYPTXZPGKKUMY-POYBYMJQSA-N -2 3 261.285 1.024 20 0 CDADHL Cc1nnc(-n2[n-]c3c(c2=O)C[C@H](C(C)C)CC3)[n-]c1=O ZINC000634586882 356465647 /nfs/dbraw/zinc/46/56/47/356465647.db2.gz ZDPJAAXADXFARM-ZJUUUORDSA-N -2 3 289.339 1.661 20 0 CDADHL O=c1c2c([n-]n1-c1cn[n-]c(=O)c1Cl)CCSC2 ZINC000634587814 356468592 /nfs/dbraw/zinc/46/85/92/356468592.db2.gz ZVZOIFXOBMVGIU-RXMQYKEDSA-N -2 3 284.728 1.291 20 0 CDADHL C[C@@H](CCC[N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000277191582 366344172 /nfs/dbraw/zinc/34/41/72/366344172.db2.gz DHIJVLQFTXYCDV-QMMMGPOBSA-N -2 3 261.299 1.059 20 0 CDADHL C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000054333894 357317588 /nfs/dbraw/zinc/31/75/88/357317588.db2.gz OPARXLHUOOCUCA-ZCFIWIBFSA-N -2 3 295.719 1.478 20 0 CDADHL Cc1ccc([N-]S(=O)(=O)C[C@@H]2CCCO2)c([O-])c1 ZINC000063156131 357507647 /nfs/dbraw/zinc/50/76/47/357507647.db2.gz RTJDQWAHAPXSIK-JTQLQIEISA-N -2 3 271.338 1.621 20 0 CDADHL C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccccc1[O-] ZINC000263516396 357530623 /nfs/dbraw/zinc/53/06/23/357530623.db2.gz OWRIRQMDMCZROL-ZJUUUORDSA-N -2 3 263.293 1.718 20 0 CDADHL C[C@@H](CCC[N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000229519281 360094513 /nfs/dbraw/zinc/09/45/13/360094513.db2.gz CIWLLAQBESKRJR-QMMMGPOBSA-N -2 3 277.367 1.527 20 0 CDADHL Cc1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])O2)c([O-])c1 ZINC000275940285 193168580 /nfs/dbraw/zinc/16/85/80/193168580.db2.gz CEKPVRJIDRMOLV-WDEREUQCSA-N -2 3 265.265 1.271 20 0 CDADHL O=C(Nc1ncccc1[O-])c1cccc2nn[n-]c21 ZINC000163447481 371263288 /nfs/dbraw/zinc/26/32/88/371263288.db2.gz NQVLGLQQJQOPFG-UHFFFAOYSA-N -2 3 255.237 1.311 20 0 CDADHL O=C(Nc1ncccc1[O-])c1cccc2[n-]nnc21 ZINC000163447481 371263290 /nfs/dbraw/zinc/26/32/90/371263290.db2.gz NQVLGLQQJQOPFG-UHFFFAOYSA-N -2 3 255.237 1.311 20 0 CDADHL O=C(Nc1ncccc1[O-])c1cccc2n[n-]nc21 ZINC000163447481 371263292 /nfs/dbraw/zinc/26/32/92/371263292.db2.gz NQVLGLQQJQOPFG-UHFFFAOYSA-N -2 3 255.237 1.311 20 0 CDADHL COC(C)(C)c1nc(=NC(=O)c2cccc([O-])c2)s[n-]1 ZINC000634153047 379098145 /nfs/dbraw/zinc/09/81/45/379098145.db2.gz FFOKSPOGMUFERW-UHFFFAOYSA-N -2 3 293.348 1.799 20 0 CDADHL CCN(C)S(=O)(=O)[N-]c1c(OC)cccc1C(=O)[O-] ZINC000634553868 379665826 /nfs/dbraw/zinc/66/58/26/379665826.db2.gz JNJRJCBNQLKLBV-UHFFFAOYSA-N -2 3 288.325 1.002 20 0 CDADHL CC[C@](C)(NC(=O)c1ccc(C)cc1[O-])C(=O)[O-] ZINC000094218652 184764016 /nfs/dbraw/zinc/76/40/16/184764016.db2.gz ZRCWDIYMWXULOO-ZDUSSCGKSA-N -2 3 251.282 1.684 20 0 CDADHL CCc1cccc(C(=O)NCCc2c(C)[n-][nH]c2=O)c1[O-] ZINC000530955026 390410365 /nfs/dbraw/zinc/41/03/65/390410365.db2.gz UTXPCYLKVMMPPK-NSHDSACASA-N -2 3 289.335 1.196 20 0 CDADHL CC(C)(C)c1n[n-]c(CN=c2[n-]nc(C(F)F)s2)n1 ZINC000413409209 391025567 /nfs/dbraw/zinc/02/55/67/391025567.db2.gz IUKCUISPHVEKMC-UHFFFAOYSA-N -2 3 288.327 1.925 20 0 CDADHL O=C(Nc1ncccc1[O-])c1ccc2[nH][n-]c(=O)c2c1 ZINC000646590568 392584071 /nfs/dbraw/zinc/58/40/71/392584071.db2.gz QLCXTURZTMTTRK-UHFFFAOYSA-N -2 3 270.248 1.621 20 0 CDADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C1CCCCC1 ZINC000517028305 392818605 /nfs/dbraw/zinc/81/86/05/392818605.db2.gz APQHMBBRMIATAP-UHFFFAOYSA-N -2 3 290.366 1.452 20 0 CDADHL CC[C@@](C)([N-]S(=O)(=O)c1c[nH]c(C(C)C)n1)C(=O)[O-] ZINC000646008016 393470987 /nfs/dbraw/zinc/47/09/87/393470987.db2.gz NMOATNJRWYVWSN-LLVKDONJSA-N -2 3 289.357 1.065 20 0 CDADHL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccccc2[O-])C1 ZINC000263348389 140472476 /nfs/dbraw/zinc/47/24/76/140472476.db2.gz PDJFOCCFWBQZQQ-VHSXEESVSA-N -2 3 263.293 1.575 20 0 CDADHL O=C([O-])CCCN1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000262200328 149033805 /nfs/dbraw/zinc/03/38/05/149033805.db2.gz HHDIVWZUUJRVEW-UHFFFAOYSA-N -2 3 292.335 1.015 20 0 CDADHL CCN(CCC(=O)[O-])Cc1nc(=O)c2sccc2[n-]1 ZINC000038024599 174008109 /nfs/dbraw/zinc/00/81/09/174008109.db2.gz YOOKVHIXOFDGJS-UHFFFAOYSA-N -2 3 281.337 1.694 20 0 CDADHL C[C@H](CNc1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001589877127 1173192744 /nfs/dbraw/zinc/19/27/44/1173192744.db2.gz MGJUBOLJFBQWMX-ZCFIWIBFSA-N -2 3 265.248 1.138 20 0 CDADHL C[C@H](CNc1ccc(F)cc1-c1nn[n-]n1)C(=O)[O-] ZINC001589877127 1173192750 /nfs/dbraw/zinc/19/27/50/1173192750.db2.gz MGJUBOLJFBQWMX-ZCFIWIBFSA-N -2 3 265.248 1.138 20 0 CDADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc([O-])c(Cl)c1 ZINC000523561877 281097973 /nfs/dbraw/zinc/09/79/73/281097973.db2.gz FFYJJRDFBDNYQH-VIFPVBQESA-N -2 3 295.726 1.287 20 0 CDADHL Cc1ccc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)c([O-])c1 ZINC000095322421 289062638 /nfs/dbraw/zinc/06/26/38/289062638.db2.gz GHCUNLVUNLANRV-SNVBAGLBSA-N -2 3 287.323 1.234 20 0 CDADHL Cc1ccc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c([O-])c1 ZINC000095322421 289062641 /nfs/dbraw/zinc/06/26/41/289062641.db2.gz GHCUNLVUNLANRV-SNVBAGLBSA-N -2 3 287.323 1.234 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]CC2(C)CC2)cc1C(=O)[O-] ZINC000563070760 293264070 /nfs/dbraw/zinc/26/40/70/293264070.db2.gz JQHNTBNXWOMYJX-UHFFFAOYSA-N -2 3 273.310 1.365 20 0 CDADHL CN(Cc1n[n-]c(=O)o1)C(=O)c1cc2ccccc2cc1[O-] ZINC000673478629 482753151 /nfs/dbraw/zinc/75/31/51/482753151.db2.gz WTBDJOFUCJONQI-UHFFFAOYSA-N -2 3 299.286 1.906 20 0 CDADHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C1CCC1 ZINC000137667128 483533090 /nfs/dbraw/zinc/53/30/90/483533090.db2.gz GSBJFCKESHHLGO-SSDOTTSWSA-N -2 3 273.310 1.445 20 0 CDADHL CCN(Cc1nc(=O)c2sccc2[n-]1)C(C)(C)C(=O)[O-] ZINC000061176552 521457396 /nfs/dbraw/zinc/45/73/96/521457396.db2.gz XCWJQWHLYNEPLP-UHFFFAOYSA-N -2 3 295.364 1.670 20 0 CDADHL Cc1cc(=O)[n-]c(NCCc2ncc(C(=O)[O-])s2)n1 ZINC001600285294 1174437812 /nfs/dbraw/zinc/43/78/12/1174437812.db2.gz IGEJXCFZXGHZCE-UHFFFAOYSA-N -2 3 280.309 1.300 20 0 CDADHL Cc1ccc(C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001600334544 1174446152 /nfs/dbraw/zinc/44/61/52/1174446152.db2.gz GAUWZIDCLCPPQO-CABZTGNLSA-N -2 3 279.292 1.015 20 0 CDADHL Cc1nc(C)c(CC(=O)N(CCC(=O)[O-])C(C)C)c(=O)[n-]1 ZINC000738844670 576122944 /nfs/dbraw/zinc/12/29/44/576122944.db2.gz NXTJRTZUNIJECN-UHFFFAOYSA-N -2 3 295.339 1.053 20 0 CDADHL CC(C)[C@H](CNC(=O)c1ccc(N)cc1[O-])C(=O)[O-] ZINC000763079313 576710705 /nfs/dbraw/zinc/71/07/05/576710705.db2.gz DTIZFZLBCGJWJH-JTQLQIEISA-N -2 3 266.297 1.061 20 0 CDADHL O=C([O-])CC[C@H]1CCCN(Cc2ccc(C(=O)[O-])cn2)C1 ZINC001601976829 1175094280 /nfs/dbraw/zinc/09/42/80/1175094280.db2.gz ZBLTVUGUELGSFJ-LLVKDONJSA-N -2 3 292.335 1.857 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)CCCn1cccc1 ZINC001601994400 1175103417 /nfs/dbraw/zinc/10/34/17/1175103417.db2.gz AQMCMYTTYDWTJJ-UHFFFAOYSA-N -2 3 254.286 1.181 20 0 CDADHL O=C([O-])CCCONC(=O)c1cn[n-]c1-c1ccoc1 ZINC001601994363 1175103570 /nfs/dbraw/zinc/10/35/70/1175103570.db2.gz DZQTVDZQVNGKLT-UHFFFAOYSA-N -2 3 279.252 1.196 20 0 CDADHL O=C([O-])C1(NC(=O)c2ccc(O)cc2[O-])CCCC1 ZINC000036924522 597035300 /nfs/dbraw/zinc/03/53/00/597035300.db2.gz FUPHXNSIXLGSIJ-UHFFFAOYSA-N -2 3 265.265 1.225 20 0 CDADHL CCc1cccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)c1[O-] ZINC000830260150 601289782 /nfs/dbraw/zinc/28/97/82/601289782.db2.gz UJTMBDHRZSQXCJ-NSHDSACASA-N -2 3 277.320 1.891 20 0 CDADHL CCCCC[C@@H](N=c1ncnc2[nH][n-]cc1-2)C(=O)[O-] ZINC000829346765 601383049 /nfs/dbraw/zinc/38/30/49/601383049.db2.gz CMNPGRLOZRVYQE-SECBINFHSA-N -2 3 263.301 1.172 20 0 CDADHL C[C@@H]1CN(C(=O)NCc2ccc([O-])c(F)c2)C[C@@H]1C(=O)[O-] ZINC000828363616 601546936 /nfs/dbraw/zinc/54/69/36/601546936.db2.gz XFRVNSGHQVKVBK-SCZZXKLOSA-N -2 3 296.298 1.393 20 0 CDADHL O=C([O-])Cc1ccc(NC(=O)c2c([O-])cccc2O)cc1 ZINC000232428664 604774169 /nfs/dbraw/zinc/77/41/69/604774169.db2.gz LGUXJURHFCIYEN-UHFFFAOYSA-N -2 3 287.271 1.977 20 0 CDADHL O=C([N-]O[C@@H]1CCCCO1)c1cnc(C2CC2)[n-]c1=O ZINC000900468610 623102141 /nfs/dbraw/zinc/10/21/41/623102141.db2.gz XOMWFGCKDZANTE-SNVBAGLBSA-N -2 3 279.296 1.248 20 0 CDADHL CC[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909121172 628522390 /nfs/dbraw/zinc/52/23/90/628522390.db2.gz NCSBAKFXSVPIFO-LLVKDONJSA-N -2 3 283.299 1.833 20 0 CDADHL O=C([O-])c1ccc(CNc2ncccc2-c2nnn[n-]2)cc1 ZINC001606962409 1164038322 /nfs/dbraw/zinc/03/83/22/1164038322.db2.gz UUEUOQRYTPBDQZ-UHFFFAOYSA-N -2 3 296.290 1.572 20 0 CDADHL O=C([O-])c1ccc(CNc2ncccc2-c2nn[n-]n2)cc1 ZINC001606962409 1164038326 /nfs/dbraw/zinc/03/83/26/1164038326.db2.gz UUEUOQRYTPBDQZ-UHFFFAOYSA-N -2 3 296.290 1.572 20 0 CDADHL O=C([O-])c1ccnc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)c1 ZINC001608952183 1164693691 /nfs/dbraw/zinc/69/36/91/1164693691.db2.gz IXTZDZYHULLQTB-UHFFFAOYSA-N -2 3 298.258 1.614 20 0 CDADHL CN(C(=O)c1ncccc1[O-])c1cccc(-c2nnn[n-]2)c1 ZINC001609262999 1164870971 /nfs/dbraw/zinc/87/09/71/1164870971.db2.gz KCLNXNIVKGZDPP-UHFFFAOYSA-N -2 3 296.290 1.244 20 0 CDADHL CN(C(=O)c1ncccc1[O-])c1cccc(-c2nn[n-]n2)c1 ZINC001609262999 1164870976 /nfs/dbraw/zinc/87/09/76/1164870976.db2.gz KCLNXNIVKGZDPP-UHFFFAOYSA-N -2 3 296.290 1.244 20 0 CDADHL O=C([O-])CCCCNc1cccc(F)c1-c1nnn[n-]1 ZINC001593278207 1174048695 /nfs/dbraw/zinc/04/86/95/1174048695.db2.gz VGWOWDFAUPFOMH-UHFFFAOYSA-N -2 3 279.275 1.673 20 0 CDADHL O=C([O-])CCCCNc1cccc(F)c1-c1nn[n-]n1 ZINC001593278207 1174048698 /nfs/dbraw/zinc/04/86/98/1174048698.db2.gz VGWOWDFAUPFOMH-UHFFFAOYSA-N -2 3 279.275 1.673 20 0 CDADHL Cc1nc(C(=O)[N-]c2nc(C(=O)[O-])ns2)sc1C ZINC001600684582 1174561378 /nfs/dbraw/zinc/56/13/78/1174561378.db2.gz LMIXMKJTPXURMK-UHFFFAOYSA-N -2 3 284.322 1.562 20 0 CDADHL O=C([O-])[C@@H](NC(=O)c1ccccc1[O-])C1CCOCC1 ZINC001601394462 1174855393 /nfs/dbraw/zinc/85/53/93/1174855393.db2.gz OIDVSUFYBQABEG-LBPRGKRZSA-N -2 3 279.292 1.002 20 0 CDADHL O=C([O-])CC(=O)Nc1ccc(Br)cc1[O-] ZINC001601888331 1175049363 /nfs/dbraw/zinc/04/93/63/1175049363.db2.gz XVWUCSCFSWJMCT-UHFFFAOYSA-N -2 3 274.070 1.568 20 0 CDADHL O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc(=O)[n-]cn1 ZINC001602194414 1175159145 /nfs/dbraw/zinc/15/91/45/1175159145.db2.gz KYHPPBJSLQSGQC-LSJOCFKGSA-N -2 3 291.307 1.040 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)CCc1cc(F)ccc1F ZINC001608716677 1164618881 /nfs/dbraw/zinc/61/88/81/1164618881.db2.gz ZYWFIHGAYOOQMI-UHFFFAOYSA-N -2 3 287.262 1.810 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCC2CSC2)o1 ZINC001608912597 1164683321 /nfs/dbraw/zinc/68/33/21/1164683321.db2.gz SLVBWKGVHCMUTH-UHFFFAOYSA-N -2 3 291.350 1.009 20 0 CDADHL CCC(CC)(NC(=O)c1ccccc1[O-])c1nnn[n-]1 ZINC000095284793 1166618232 /nfs/dbraw/zinc/61/82/32/1166618232.db2.gz WKPNDVIKTFWZII-UHFFFAOYSA-N -2 3 275.312 1.351 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][N-]C(=O)C(C)C)cc1Cl ZINC000048653515 839339158 /nfs/dbraw/zinc/33/91/58/839339158.db2.gz DSHGARQOYDOVED-UHFFFAOYSA-N -2 3 290.772 1.614 20 0 CDADHL Cc1cc(=O)[n-]c(CN2CCc3occc3[C@@H]2C(=O)[O-])n1 ZINC000863472388 840214380 /nfs/dbraw/zinc/21/43/80/840214380.db2.gz DNEGSDSWTKBVEM-CYBMUJFWSA-N -2 3 289.291 1.268 20 0 CDADHL O=c1[n-]nc([C@H]2CCCN(c3cc(Cl)[n-]c(=O)n3)C2)o1 ZINC000858526660 841231406 /nfs/dbraw/zinc/23/14/06/841231406.db2.gz HFNVKIWWRTVNTP-LURJTMIESA-N -2 3 297.702 1.308 20 0 CDADHL O=C([O-])CN(C(=O)c1ccccc1[O-])C1CCCC1 ZINC000037586156 841384625 /nfs/dbraw/zinc/38/46/25/841384625.db2.gz SEDJHYUWMVDSOX-UHFFFAOYSA-N -2 3 263.293 1.862 20 0 CDADHL O=C([N-]n1c(=O)[n-][nH]c1=O)c1cc2cc(F)ccc2s1 ZINC000816732551 841387185 /nfs/dbraw/zinc/38/71/85/841387185.db2.gz MKMPEKKIUBFSSM-UHFFFAOYSA-N -2 3 294.267 1.427 20 0 CDADHL O=P([O-])([O-])CCO[C@@H]1CCCc2cccnc21 ZINC001224606379 909924168 /nfs/dbraw/zinc/92/41/68/909924168.db2.gz PBQGNBDQDCMHNS-SNVBAGLBSA-N -2 3 257.226 1.653 20 0 CDADHL O=C([O-])C(F)(F)C(F)(F)C(=O)[N-][C@@H]1C[C@@H]1C1CC1 ZINC001180179652 916176854 /nfs/dbraw/zinc/17/68/54/916176854.db2.gz ICJIGPNYKLNOTG-PHDIDXHHSA-N -2 3 269.194 1.256 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])[C@@H]1CCC(F)(F)C1 ZINC001186889532 920210176 /nfs/dbraw/zinc/21/01/76/920210176.db2.gz RUPYKWFIYRIMEQ-MRVPVSSYSA-N -2 3 285.227 1.496 20 0 CDADHL CCCC[C@H](C)NC(=O)NCCP(=O)([O-])[O-] ZINC001193076214 923427650 /nfs/dbraw/zinc/42/76/50/923427650.db2.gz ZCVUVMCPPOHAFZ-QMMMGPOBSA-N -2 3 252.251 1.042 20 0 CDADHL CC(C)CCOC(=O)NCCCCP(=O)([O-])[O-] ZINC001194893586 924399152 /nfs/dbraw/zinc/39/91/52/924399152.db2.gz VKFRSFKRRYSUST-UHFFFAOYSA-N -2 3 267.262 1.717 20 0 CDADHL CCCCC(=O)[C@H](CCCC)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227571498 942191010 /nfs/dbraw/zinc/19/10/10/942191010.db2.gz VAYKUNBGJNLQOJ-JTQLQIEISA-N -2 3 283.328 1.980 20 0 CDADHL O=C([O-])CCCCCNC(=O)c1cc(F)cc2n[n-]nc21 ZINC001601985450 971111449 /nfs/dbraw/zinc/11/14/49/971111449.db2.gz MQFQKJLNMIWVLZ-UHFFFAOYSA-N -2 3 294.286 1.472 20 0 CDADHL O=S(=O)(Cc1ccc(F)cc1)[N-]c1ncccc1[O-] ZINC001259247561 945511615 /nfs/dbraw/zinc/51/16/15/945511615.db2.gz TYWOXQSRBMLHHN-UHFFFAOYSA-N -2 3 282.296 1.868 20 0 CDADHL O=C([O-])c1ccc(-c2cncc(-c3nnn[n-]3)c2)cn1 ZINC001242336886 946679775 /nfs/dbraw/zinc/67/97/75/946679775.db2.gz NQRBRAPNGPDEJH-UHFFFAOYSA-N -2 3 268.236 1.022 20 0 CDADHL O=C([O-])c1ccc(-c2cncc(-c3nn[n-]n3)c2)cn1 ZINC001242336886 946679781 /nfs/dbraw/zinc/67/97/81/946679781.db2.gz NQRBRAPNGPDEJH-UHFFFAOYSA-N -2 3 268.236 1.022 20 0 CDADHL Cc1ccc([O-])c(C(=O)Nc2cc(C(=O)[O-])n[nH]2)c1 ZINC000080656232 949010244 /nfs/dbraw/zinc/01/02/44/949010244.db2.gz TYSGPUOKECQFOP-UHFFFAOYSA-N -2 3 261.237 1.374 20 0 CDADHL O=C([O-])C1(NC(=O)c2cccc(O)c2[O-])CCCCC1 ZINC000125992147 949260207 /nfs/dbraw/zinc/26/02/07/949260207.db2.gz AWJATMIHAKGFML-UHFFFAOYSA-N -2 3 279.292 1.615 20 0 CDADHL O=C([O-])c1ccc(CNC(=O)c2cccc3n[n-]nc32)cc1 ZINC001595230509 949340745 /nfs/dbraw/zinc/34/07/45/949340745.db2.gz FSGSUWILNNJWKX-UHFFFAOYSA-N -2 3 296.286 1.586 20 0 CDADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C/C=C\C1CC1 ZINC000379173950 971608960 /nfs/dbraw/zinc/60/89/60/971608960.db2.gz MFRRKDXCEORWJU-UPHRSURJSA-N -2 3 288.350 1.086 20 0 CDADHL O=C([O-])/C=C/c1cc(C(=O)Nc2ncccc2[O-])co1 ZINC001594972569 950872907 /nfs/dbraw/zinc/87/29/07/950872907.db2.gz XAVRKPRXLKZXCA-ONEGZZNKSA-N -2 3 274.232 1.730 20 0 CDADHL CC[C@H](C(=O)[O-])N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC001589433346 954665989 /nfs/dbraw/zinc/66/59/89/954665989.db2.gz DYSNQCPQXBLKCA-SNVBAGLBSA-N -2 3 269.272 1.395 20 0 CDADHL O=C([O-])[C@@H]1CC[C@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC001574769198 957748729 /nfs/dbraw/zinc/74/87/29/957748729.db2.gz LRAHCTIVMVMQEX-RKDXNWHRSA-N -2 3 267.256 1.258 20 0 CDADHL COc1cc(-c2nc(CC(=O)[O-])no2)cc(OC)c1[O-] ZINC001594047801 957948797 /nfs/dbraw/zinc/94/87/97/957948797.db2.gz LWOXPJSZAXHVKD-UHFFFAOYSA-N -2 3 280.236 1.087 20 0 CDADHL CC(=O)c1ccc(C(=O)NC(C)(C)CC(=O)[O-])cc1[O-] ZINC001588528536 958889302 /nfs/dbraw/zinc/88/93/02/958889302.db2.gz ZWVBWQVKPHHBIZ-UHFFFAOYSA-N -2 3 279.292 1.578 20 0 CDADHL CC(C)OC(=O)c1cc(NC(=O)[C@]2(C(=O)[O-])C[C@H]2C)[n-]n1 ZINC001588929214 962462351 /nfs/dbraw/zinc/46/23/51/962462351.db2.gz NXPHQJSJMOKXIX-UHLUBPPHSA-N -2 3 295.295 1.024 20 0 CDADHL CC(C)OC(=O)c1cc(NC(=O)[C@]2(C(=O)[O-])C[C@H]2C)n[n-]1 ZINC001588929214 962462355 /nfs/dbraw/zinc/46/23/55/962462355.db2.gz NXPHQJSJMOKXIX-UHLUBPPHSA-N -2 3 295.295 1.024 20 0 CDADHL CCc1ccc(C(=O)N[C@H](C(=O)[O-])C(C)C)c([O-])c1 ZINC001570985283 963117802 /nfs/dbraw/zinc/11/78/02/963117802.db2.gz WKDIAKYGRQKJHP-LBPRGKRZSA-N -2 3 265.309 1.794 20 0 CDADHL CC[C@@H](C)C[C@@H](NC(=O)c1ccc(O)cc1[O-])C(=O)[O-] ZINC000400481214 973287295 /nfs/dbraw/zinc/28/72/95/973287295.db2.gz WOCQHALTPOIRHO-LDYMZIIASA-N -2 3 281.308 1.717 20 0 CDADHL Cn1nc(C(=O)[O-])cc1C=Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001605540441 973745609 /nfs/dbraw/zinc/74/56/09/973745609.db2.gz VMSXSVVFCJUFAF-SNAWJCMRSA-N -2 3 286.291 1.662 20 0 CDADHL C/C(=C\C[N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000692476520 976502400 /nfs/dbraw/zinc/50/24/00/976502400.db2.gz LVUVDCIJZCRARZ-QPJJXVBHSA-N -2 3 290.728 1.044 20 0 CDADHL C[C@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C1(C)CC1 ZINC000706549392 977353306 /nfs/dbraw/zinc/35/33/06/977353306.db2.gz MIWGGKKPMKJWAF-LURJTMIESA-N -2 3 290.366 1.308 20 0 CDADHL CC[C@H](C)CO[N-]C(=O)CCCn1ccc(C(=O)[O-])n1 ZINC001594963945 982715843 /nfs/dbraw/zinc/71/58/43/982715843.db2.gz AAESCSSLJFHZSI-JTQLQIEISA-N -2 3 283.328 1.455 20 0 CDADHL CCc1ccc(C(=O)NC/C=C(/C)C(=O)[O-])c([O-])c1 ZINC001597500981 988062670 /nfs/dbraw/zinc/06/26/70/988062670.db2.gz IDTZVBKZHRYROR-TWGQIWQCSA-N -2 3 263.293 1.715 20 0 CDADHL CC(C)(CS(=O)(=O)[N-]c1ccc(F)cc1[O-])C(=O)[O-] ZINC001590818231 990650392 /nfs/dbraw/zinc/65/03/92/990650392.db2.gz KMZBDBDJOFBRQR-UHFFFAOYSA-N -3 3 291.300 1.384 20 0 CDADHL COc1cnc([C@@H]2CCCN2C/C(C)=C\C(=O)[O-])[n-]c1=O ZINC001599725016 991605427 /nfs/dbraw/zinc/60/54/27/991605427.db2.gz RGPOKFBACHPLPK-MBACFSSFSA-N -2 3 293.323 1.359 20 0 CDADHL C[C@@H](OC(=O)c1ccc(N)c(Cl)c1[O-])C(=O)[O-] ZINC001593583805 995695746 /nfs/dbraw/zinc/69/57/46/995695746.db2.gz AURHFZJBRQRHLM-SCSAIBSYSA-N -2 3 259.645 1.258 20 0 CDADHL CCOCCO[N-]C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001605639847 1163631804 /nfs/dbraw/zinc/63/18/04/1163631804.db2.gz VMZSJWFNTPDKSM-ONEGZZNKSA-N -2 3 269.253 1.075 20 0 CDADHL CCOCCO[N-]C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001605639817 1163632036 /nfs/dbraw/zinc/63/20/36/1163632036.db2.gz UTWULVZLPLAODD-UHFFFAOYSA-N -2 3 273.329 1.496 20 0 CDADHL COc1ccc([O-])c(C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)[O-])c1 ZINC000125411312 187183557 /nfs/dbraw/zinc/18/35/57/187183557.db2.gz MQEZCTWXSAGVCO-BXKDBHETSA-N -2 3 293.319 1.726 20 0 CDADHL CC[C@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC000275083862 365915369 /nfs/dbraw/zinc/91/53/69/365915369.db2.gz NTBOZJIEIWNXGI-QMMMGPOBSA-N -2 3 297.254 1.245 20 0 CDADHL COC[C@@H](C)S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1F ZINC000399706131 356015491 /nfs/dbraw/zinc/01/54/91/356015491.db2.gz VRNNIFVAHJNYDK-SSDOTTSWSA-N -2 3 291.300 1.301 20 0 CDADHL C[C@@H]1CCc2[n-]n(-c3cn[n-]c(=O)c3Cl)c(=O)c21 ZINC000634587455 356468419 /nfs/dbraw/zinc/46/84/19/356468419.db2.gz OSDBETASBQWQTE-SVGQVSJJSA-N -2 3 266.688 1.584 20 0 CDADHL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccccc1F ZINC000070312053 357719405 /nfs/dbraw/zinc/71/94/05/357719405.db2.gz MBOJVLHBJFBKHO-MRVPVSSYSA-N -2 3 275.301 1.357 20 0 CDADHL Cc1ccc([O-])c(NC(=O)Cc2c(C)nc(C)[n-]c2=O)n1 ZINC000345929248 358959241 /nfs/dbraw/zinc/95/92/41/358959241.db2.gz ODWILGANVRDTJZ-UHFFFAOYSA-N -2 3 288.307 1.389 20 0 CDADHL O=C([O-])[C@@H]1CCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000263146939 359235690 /nfs/dbraw/zinc/23/56/90/359235690.db2.gz ARJQFIDTRBHAMB-SECBINFHSA-N -2 3 282.271 1.147 20 0 CDADHL CCc1[n-][nH]c(=NC(=O)N=c2ccc(C3CC3)n[n-]2)c1C ZINC000516329632 360592645 /nfs/dbraw/zinc/59/26/45/360592645.db2.gz XFEXMFLBWUKJNZ-UHFFFAOYSA-N -2 3 286.339 1.436 20 0 CDADHL CC(C)(NC(=O)c1cc2ccccc2cc1[O-])c1nnn[n-]1 ZINC000436590423 361538175 /nfs/dbraw/zinc/53/81/75/361538175.db2.gz MVSAZOBENONRCL-UHFFFAOYSA-N -2 3 297.318 1.724 20 0 CDADHL CC(C)(NC(=O)c1cc2ccccc2cc1[O-])c1nn[n-]n1 ZINC000436590423 361538181 /nfs/dbraw/zinc/53/81/81/361538181.db2.gz MVSAZOBENONRCL-UHFFFAOYSA-N -2 3 297.318 1.724 20 0 CDADHL Cc1ncc(CNC(=O)c2ccc([O-])c(Cl)c2)c(=O)[n-]1 ZINC000436830261 361585713 /nfs/dbraw/zinc/58/57/13/361585713.db2.gz UWMAKOHBNLXUON-UHFFFAOYSA-N -2 3 293.710 1.780 20 0 CDADHL Cc1cc(=O)[n-]c([C@@H](C)N2CCC[C@H](C(=O)[O-])C2)n1 ZINC000566361962 370696846 /nfs/dbraw/zinc/69/68/46/370696846.db2.gz MIAKFGUSWYCMIW-ZJUUUORDSA-N -2 3 265.313 1.348 20 0 CDADHL CCC[C@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000034972474 364384471 /nfs/dbraw/zinc/38/44/71/364384471.db2.gz NPEIGSBEYKWKPW-ZETCQYMHSA-N -2 3 261.299 1.445 20 0 CDADHL CN(CC(=O)[O-])C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000263563200 367425697 /nfs/dbraw/zinc/42/56/97/367425697.db2.gz DDUVNVVBLOKTPO-UHFFFAOYSA-N -2 3 263.293 1.428 20 0 CDADHL Cc1ncc(CN=c2nc(C3CC3)[n-]s2)c(=O)[n-]1 ZINC000544127758 369015917 /nfs/dbraw/zinc/01/59/17/369015917.db2.gz MKAHQOCHCUBWSS-UHFFFAOYSA-N -2 3 263.326 1.254 20 0 CDADHL CC(C)CO[N-]C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000287834902 369324572 /nfs/dbraw/zinc/32/45/72/369324572.db2.gz ZTMDNGATWACKRN-GDNBJRDFSA-N -2 3 263.301 1.051 20 0 CDADHL CSc1nc(=O)[n-]c(C)c1C(=O)[N-]OC1CCCC1 ZINC000135688808 369729133 /nfs/dbraw/zinc/72/91/33/369729133.db2.gz ILJJJNVWFQTQTO-UHFFFAOYSA-N -2 3 283.353 1.404 20 0 CDADHL CCc1cc(=O)[n-]c(CN(CC(=O)[O-])C2CCCC2)n1 ZINC000582015068 373543478 /nfs/dbraw/zinc/54/34/78/373543478.db2.gz ZKSDBGSRKRIHCS-UHFFFAOYSA-N -2 3 279.340 1.574 20 0 CDADHL CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(C)o1)C(=O)[O-] ZINC000573365610 294803723 /nfs/dbraw/zinc/80/37/23/294803723.db2.gz ZXRMVAZMIDKJMO-WCBMZHEXSA-N -2 3 289.353 1.756 20 0 CDADHL CC1([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CCCC1 ZINC000042186431 374332185 /nfs/dbraw/zinc/33/21/85/374332185.db2.gz QSJKUWJDIKTYMI-UHFFFAOYSA-N -2 3 273.310 1.589 20 0 CDADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2cccs2)CCC1 ZINC000164957636 292854953 /nfs/dbraw/zinc/85/49/53/292854953.db2.gz RXGATUYDBNGXTR-UHFFFAOYSA-N -2 3 289.378 1.671 20 0 CDADHL CO[C@H](C)CS(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1 ZINC000278687372 194103394 /nfs/dbraw/zinc/10/33/94/194103394.db2.gz QYXNHRWUGIYZOB-SECBINFHSA-N -2 3 287.337 1.090 20 0 CDADHL O=C([O-])[C@H]1CC[C@H](C(=O)Nc2cc(Cl)ccc2[O-])O1 ZINC000442666569 392282403 /nfs/dbraw/zinc/28/24/03/392282403.db2.gz RUHKXMBJTUQISR-NXEZZACHSA-N -2 3 285.683 1.616 20 0 CDADHL Cc1cccc2c(=O)c(C(=O)NC[C@H](C)C(=O)[O-])c[n-]c12 ZINC000656231372 413129002 /nfs/dbraw/zinc/12/90/02/413129002.db2.gz JHRZJQXAIDQRDB-VIFPVBQESA-N -2 3 288.303 1.287 20 0 CDADHL CC(C)CS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1F ZINC000310745308 289423259 /nfs/dbraw/zinc/42/32/59/289423259.db2.gz IQWLZMBMEPHXCE-UHFFFAOYSA-N -2 3 275.301 1.922 20 0 CDADHL CCN(C(=O)c1cc(C)ccc1[O-])[C@H](C)C(=O)[O-] ZINC000663126805 413972022 /nfs/dbraw/zinc/97/20/22/413972022.db2.gz ZMGZCOJCKDVQGU-SECBINFHSA-N -2 3 251.282 1.636 20 0 CDADHL CCc1ccc([O-])c(C(=O)NC[C@H](C)C(=O)[O-])c1 ZINC000655558241 423972095 /nfs/dbraw/zinc/97/20/95/423972095.db2.gz FUOXQYQNCLXYFR-QMMMGPOBSA-N -2 3 251.282 1.405 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]CC2CCC2)c1 ZINC000518971973 265263614 /nfs/dbraw/zinc/26/36/14/265263614.db2.gz FCMBTVMDZKTYGS-UHFFFAOYSA-N -2 3 259.283 1.056 20 0 CDADHL Cc1[n-][nH]c(=O)c1CCN=c1nc(CC(C)C)[n-]s1 ZINC000547467073 289777151 /nfs/dbraw/zinc/77/71/51/289777151.db2.gz OWSUEWKLABCFGX-VIFPVBQESA-N -2 3 281.385 1.082 20 0 CDADHL O=C(Cc1coc2ccccc12)N=c1ccc([O-])n[n-]1 ZINC000558164595 290382145 /nfs/dbraw/zinc/38/21/45/290382145.db2.gz YZCBOKHLJXRRPD-UHFFFAOYSA-N -2 3 269.260 1.532 20 0 CDADHL CO[C@@H](CS(=O)(=O)[N-]c1ccccc1C(=O)[O-])C1CC1 ZINC000568511313 294049423 /nfs/dbraw/zinc/04/94/23/294049423.db2.gz KMBNTQZRBYKTIR-LBPRGKRZSA-N -2 3 299.348 1.552 20 0 CDADHL CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000577107041 317267294 /nfs/dbraw/zinc/26/72/94/317267294.db2.gz ZYLAMEQGYKULAS-YUMQZZPRSA-N -2 3 275.326 1.691 20 0 CDADHL Cc1ccnc(NCCC(C)(C)C(=O)[O-])c1-c1nnn[n-]1 ZINC001592275922 1173842945 /nfs/dbraw/zinc/84/29/45/1173842945.db2.gz XSNGKJGBAPCJDE-UHFFFAOYSA-N -2 3 290.327 1.483 20 0 CDADHL Cc1ccnc(NCCC(C)(C)C(=O)[O-])c1-c1nn[n-]n1 ZINC001592275922 1173842952 /nfs/dbraw/zinc/84/29/52/1173842952.db2.gz XSNGKJGBAPCJDE-UHFFFAOYSA-N -2 3 290.327 1.483 20 0 CDADHL Cc1csc(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000581116041 324653417 /nfs/dbraw/zinc/65/34/17/324653417.db2.gz WXQRVRBQKCSRAP-BDAKNGLRSA-N -2 3 289.378 1.588 20 0 CDADHL Cc1n[n-]cc1C(=O)N=c1nc(-c2cccnc2)[n-]s1 ZINC000339729360 526543243 /nfs/dbraw/zinc/54/32/43/526543243.db2.gz YHIFURYRJSSZDT-UHFFFAOYSA-N -2 3 286.320 1.306 20 0 CDADHL O=C([O-])Cc1ccc([N-]S(=O)(=O)C[C@H]2CCCO2)cc1 ZINC000063155397 527638803 /nfs/dbraw/zinc/63/88/03/527638803.db2.gz XNRIXWFODWXRHD-GFCCVEGCSA-N -2 3 299.348 1.234 20 0 CDADHL CC[C@H](C)c1cc(C(=O)[N-]c2n[n-]c(OC)n2)on1 ZINC000179368611 536021610 /nfs/dbraw/zinc/02/16/10/536021610.db2.gz RTAALMVOECEBER-LURJTMIESA-N -2 3 265.273 1.567 20 0 CDADHL CCc1cccc(C(=O)N(C)C[C@H](C)c2nnn[n-]2)c1[O-] ZINC000095177972 538256635 /nfs/dbraw/zinc/25/66/35/538256635.db2.gz KYSFHDKJDPYBSD-VIFPVBQESA-N -2 3 289.339 1.343 20 0 CDADHL CCc1cccc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)c1[O-] ZINC000095177972 538256643 /nfs/dbraw/zinc/25/66/43/538256643.db2.gz KYSFHDKJDPYBSD-VIFPVBQESA-N -2 3 289.339 1.343 20 0 CDADHL O=C([O-])C1(CO[N-]C(=O)CCCc2ccccc2)CC1 ZINC001601270679 1174819207 /nfs/dbraw/zinc/81/92/07/1174819207.db2.gz SPKSDBCJLLDSDP-UHFFFAOYSA-N -2 3 277.320 1.922 20 0 CDADHL O=C([O-])[C@H](CCF)[N-]C(=O)C(F)(F)c1ccccc1F ZINC001601645414 1174927762 /nfs/dbraw/zinc/92/77/62/1174927762.db2.gz QZDUMYAXZZVFEL-VIFPVBQESA-N -2 3 293.216 1.847 20 0 CDADHL CC(C)c1nc(C(=O)[N-]c2n[nH]c(CC(=O)[O-])n2)cs1 ZINC000736526617 575685236 /nfs/dbraw/zinc/68/52/36/575685236.db2.gz YWQKGVQZKOFHDR-UHFFFAOYSA-N -2 3 295.324 1.264 20 0 CDADHL Cc1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c([O-])c1C ZINC000738507318 576085058 /nfs/dbraw/zinc/08/50/58/576085058.db2.gz AYPULELHVNUOHT-LLVKDONJSA-N -2 3 277.320 1.946 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)CCCc1ccsc1 ZINC001601994866 1175104104 /nfs/dbraw/zinc/10/41/04/1175104104.db2.gz JHBAASCOKULEAJ-UHFFFAOYSA-N -2 3 271.338 1.983 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)CCCOc1ccccc1F ZINC001601995988 1175105286 /nfs/dbraw/zinc/10/52/86/1175105286.db2.gz XYQINRSKKVHSAW-UHFFFAOYSA-N -2 3 299.298 1.897 20 0 CDADHL CC1(C)C([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1(C)C ZINC000092816314 601395562 /nfs/dbraw/zinc/39/55/62/601395562.db2.gz LIMDWLKEOJDULV-UHFFFAOYSA-N -2 3 287.337 1.691 20 0 CDADHL Cc1ccc(-c2nc(NC(=O)CSCC(=O)[O-])n[n-]2)o1 ZINC000818858765 597226050 /nfs/dbraw/zinc/22/60/50/597226050.db2.gz FJLMPXKSIJNCMZ-UHFFFAOYSA-N -2 3 296.308 1.129 20 0 CDADHL CSCC[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000129391430 600240680 /nfs/dbraw/zinc/24/06/80/600240680.db2.gz TYNCJEZJZFWVGO-SSDOTTSWSA-N -2 3 293.366 1.398 20 0 CDADHL Cc1cc(F)c(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])cc1F ZINC000832887299 601882881 /nfs/dbraw/zinc/88/28/81/601882881.db2.gz ODYWSUOQYFYCIN-UHFFFAOYSA-N -2 3 293.291 1.415 20 0 CDADHL O=C([O-])[C@@H](CC1CC1)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000909471563 619351258 /nfs/dbraw/zinc/35/12/58/619351258.db2.gz IFSNEXUZNHXFHJ-LLVKDONJSA-N -2 3 281.283 1.443 20 0 CDADHL O=C([O-])C[C@@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000042144279 622044254 /nfs/dbraw/zinc/04/42/54/622044254.db2.gz RZJIHKNJZTYURW-QMMMGPOBSA-N -2 3 265.265 1.177 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]3CCC[C@H]32)o1 ZINC000903549324 626022050 /nfs/dbraw/zinc/02/20/50/626022050.db2.gz JEMKBTLOBIJHGA-IWSPIJDZSA-N -2 3 285.321 1.445 20 0 CDADHL O=C([O-])CN(C(=O)NCc1ccc([O-])c(F)c1)C1CCC1 ZINC000909049818 628491543 /nfs/dbraw/zinc/49/15/43/628491543.db2.gz VRTDOUBHJFQKND-UHFFFAOYSA-N -2 3 296.298 1.680 20 0 CDADHL CC(C)[C@H](C(=O)[O-])C(=O)Nc1cccc([O-])c1F ZINC000911430567 629280857 /nfs/dbraw/zinc/28/08/57/629280857.db2.gz DJYUQGHLBRFENZ-VIFPVBQESA-N -2 3 255.245 1.827 20 0 CDADHL CCc1ccc(C(=O)N[C@H](CC(=O)[O-])C2CC2)c([O-])c1 ZINC001605805212 1163676742 /nfs/dbraw/zinc/67/67/42/1163676742.db2.gz VALRKDLXFZSGNP-GFCCVEGCSA-N -2 3 277.320 1.938 20 0 CDADHL COC(=O)c1[n-]cnc1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001606635368 1163943081 /nfs/dbraw/zinc/94/30/81/1163943081.db2.gz BKBNYEPPAYKDEI-JGVFFNPUSA-N -2 3 295.295 1.026 20 0 CDADHL COC(=O)c1nc[n-]c1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001606635368 1163943089 /nfs/dbraw/zinc/94/30/89/1163943089.db2.gz BKBNYEPPAYKDEI-JGVFFNPUSA-N -2 3 295.295 1.026 20 0 CDADHL Cc1nnc([N-]C(=O)c2ccc(/C=C/C(=O)[O-])o2)s1 ZINC001608019604 1164379308 /nfs/dbraw/zinc/37/93/08/1164379308.db2.gz YYIQJADCIAVVIF-HWKANZROSA-N -2 3 279.277 1.790 20 0 CDADHL O=C([O-])C1(NC(=O)c2cc3sccc3c([O-])c2)CC1 ZINC001608404278 1164508841 /nfs/dbraw/zinc/50/88/41/1164508841.db2.gz VCPVOIJXCGCETC-UHFFFAOYSA-N -2 3 277.301 1.954 20 0 CDADHL O=C([O-])CCCOc1cccc(F)c1-c1nnn[n-]1 ZINC000095151381 1166598902 /nfs/dbraw/zinc/59/89/02/1166598902.db2.gz VAGPYMLMLFICMJ-UHFFFAOYSA-N -2 3 266.232 1.249 20 0 CDADHL Cc1c(Cl)cnc(NCCC(=O)[O-])c1-c1nnn[n-]1 ZINC001591822131 1173710036 /nfs/dbraw/zinc/71/00/36/1173710036.db2.gz VYAYCPPGNRRRKE-UHFFFAOYSA-N -2 3 282.691 1.110 20 0 CDADHL Cc1c(Cl)cnc(NCCC(=O)[O-])c1-c1nn[n-]n1 ZINC001591822131 1173710040 /nfs/dbraw/zinc/71/00/40/1173710040.db2.gz VYAYCPPGNRRRKE-UHFFFAOYSA-N -2 3 282.691 1.110 20 0 CDADHL Cc1cc(=O)[n-]c(C(C)(C)NCc2c[nH]c(C(=O)[O-])c2)n1 ZINC001600064496 1174349533 /nfs/dbraw/zinc/34/95/33/1174349533.db2.gz PCYBWWIUFDQDRH-UHFFFAOYSA-N -2 3 290.323 1.542 20 0 CDADHL Cc1cc(=O)[n-]c(N[C@@H](C)c2ncc(C(=O)[O-])s2)n1 ZINC001600286184 1174439416 /nfs/dbraw/zinc/43/94/16/1174439416.db2.gz VHZDIKPWCISMBB-LURJTMIESA-N -2 3 280.309 1.818 20 0 CDADHL O=C([O-])c1occc1CNC(=O)c1ccccc1[O-] ZINC001601545895 1174898889 /nfs/dbraw/zinc/89/88/89/1174898889.db2.gz NHCZGRCHJGGPJZ-UHFFFAOYSA-N -2 3 261.233 1.613 20 0 CDADHL O=C([O-])C[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)C1CC1 ZINC001601903908 1175059196 /nfs/dbraw/zinc/05/91/96/1175059196.db2.gz KFTRZUZKCITWDM-VIFPVBQESA-N -2 3 292.270 1.080 20 0 CDADHL O=C([O-])c1cc(C(=O)[N-]c2cccc3nsnc32)on1 ZINC001602249604 1175181139 /nfs/dbraw/zinc/18/11/39/1175181139.db2.gz SWBHXSMUIZUKCW-UHFFFAOYSA-N -2 3 290.260 1.630 20 0 CDADHL O=C([O-])[C@@H](OC(=O)c1cnn[n-]1)c1c(F)cccc1Cl ZINC001602601423 1175316456 /nfs/dbraw/zinc/31/64/56/1175316456.db2.gz KXHHLMMJCCELAY-VIFPVBQESA-N -2 3 299.645 1.580 20 0 CDADHL O=C([O-])[C@@H](OC(=O)c1c[n-]nn1)c1c(F)cccc1Cl ZINC001602601423 1175316463 /nfs/dbraw/zinc/31/64/63/1175316463.db2.gz KXHHLMMJCCELAY-VIFPVBQESA-N -2 3 299.645 1.580 20 0 CDADHL CC(C)([N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)C(F)F ZINC001603686050 1175598317 /nfs/dbraw/zinc/59/83/17/1175598317.db2.gz LZBAYKHQRWQDTK-UHFFFAOYSA-N -2 3 299.320 1.768 20 0 CDADHL Cc1cccc([O-])c1C(=O)NCCSCCC(=O)[O-] ZINC001607858760 1164314206 /nfs/dbraw/zinc/31/42/06/1164314206.db2.gz XRQQIPDRSZDHBP-UHFFFAOYSA-N -2 3 283.349 1.638 20 0 CDADHL C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cc([O-])ccc1Cl ZINC000235305103 844626450 /nfs/dbraw/zinc/62/64/50/844626450.db2.gz QXHKYHXWHHUBRO-APPZFPTMSA-N -2 3 283.711 1.981 20 0 CDADHL O=C([O-])[C@@H]1OCC[C@@H]1NC(=O)c1cc([O-])ccc1Cl ZINC000702948240 845103173 /nfs/dbraw/zinc/10/31/73/845103173.db2.gz ONWCFECZTYWKMH-VHSXEESVSA-N -2 3 285.683 1.018 20 0 CDADHL CCc1cc(=O)[n-]c(-c2ccc(N(C)CC(=O)[O-])nc2)n1 ZINC000263424453 846959494 /nfs/dbraw/zinc/95/94/94/846959494.db2.gz QPCHNYVZNXDWCJ-UHFFFAOYSA-N -2 3 288.307 1.327 20 0 CDADHL Cc1cc(F)c(CNC[C@@H](CC(=O)[O-])C(=O)[O-])c(F)c1 ZINC001647414479 1168665686 /nfs/dbraw/zinc/66/56/86/1168665686.db2.gz RLASTLOXLKBUAW-MRVPVSSYSA-N -2 3 287.262 1.538 20 0 CDADHL O=Nc1c(=O)[n-]c(=O)[nH]c1Nc1cccc(C(=O)[O-])c1 ZINC001175329455 913543578 /nfs/dbraw/zinc/54/35/78/913543578.db2.gz XVLXIQFYEUYUOS-UHFFFAOYSA-N -2 3 276.208 1.728 20 0 CDADHL Cn1ccc(C(=O)Nc2cncc([O-])c2)c1CC(=O)[O-] ZINC001177362750 914643290 /nfs/dbraw/zinc/64/32/90/914643290.db2.gz AHVUQAZOCYUCKN-UHFFFAOYSA-N -2 3 275.264 1.005 20 0 CDADHL CC1(C)CC(Oc2nc(=O)[n-]c(=O)[n-]2)CC(C)(C)O1 ZINC001227570685 906375462 /nfs/dbraw/zinc/37/54/62/906375462.db2.gz MUUDBDQXESRHCZ-UHFFFAOYSA-N -2 3 269.301 1.398 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])Nc1ccccc1 ZINC001201963108 926441984 /nfs/dbraw/zinc/44/19/84/926441984.db2.gz NTVIIOKIMRZDCP-UHFFFAOYSA-N -2 3 272.241 1.766 20 0 CDADHL COc1cc(Nc2cnc[n-]c2=O)cc(C(=O)[O-])c1 ZINC001213589137 940779706 /nfs/dbraw/zinc/77/97/06/940779706.db2.gz PWHVXXRNPOHYJR-UHFFFAOYSA-N -2 3 261.237 1.633 20 0 CDADHL O=P([O-])([O-])CCCCOC[C@@H]1CCC=CO1 ZINC001225019696 941814617 /nfs/dbraw/zinc/81/46/17/941814617.db2.gz AAHBCELFXOHBCL-JTQLQIEISA-N -2 3 250.231 1.654 20 0 CDADHL CCOC(=O)[C@@H](Oc1nc2ncnc-2c([S-])[n-]1)C1CC1 ZINC001226782112 942069458 /nfs/dbraw/zinc/06/94/58/942069458.db2.gz OXWPHPDKMBJTSA-QMMMGPOBSA-N -2 3 294.336 1.362 20 0 CDADHL C[C@@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1ncccc1F ZINC001233939663 943694602 /nfs/dbraw/zinc/69/46/02/943694602.db2.gz MLQRCMPOQDYYFI-ZCFIWIBFSA-N -2 3 275.243 1.320 20 0 CDADHL C[C@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1ccccc1 ZINC001233936115 943695748 /nfs/dbraw/zinc/69/57/48/943695748.db2.gz WDUBSEZDQIRNGR-QMMMGPOBSA-N -2 3 256.265 1.786 20 0 CDADHL O=S(=O)([N-]c1ccc(F)c([O-])c1)c1cn[nH]c1 ZINC001260960151 945925341 /nfs/dbraw/zinc/92/53/41/945925341.db2.gz BOUVKGDWLXUUFV-UHFFFAOYSA-N -2 3 257.246 1.055 20 0 CDADHL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(F)c([O-])c1 ZINC001261029301 945951800 /nfs/dbraw/zinc/95/18/00/945951800.db2.gz IOIDSNHYJPYIGQ-UHFFFAOYSA-N -2 3 285.300 1.672 20 0 CDADHL NCc1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccn1 ZINC001242162477 946613086 /nfs/dbraw/zinc/61/30/86/946613086.db2.gz HIAKRPHTBYRFHK-UHFFFAOYSA-N -2 3 272.260 1.604 20 0 CDADHL O=S(=O)([N-]c1cncc([O-])c1)c1ccc(F)cc1 ZINC001251609222 950728726 /nfs/dbraw/zinc/72/87/26/950728726.db2.gz VPRUSNJONSSJDN-UHFFFAOYSA-N -2 3 268.269 1.727 20 0 CDADHL CSc1nc([N-]S(=O)(=O)C(F)(F)F)cc(=O)[n-]1 ZINC001252283475 951180578 /nfs/dbraw/zinc/18/05/78/951180578.db2.gz YSHMIRVSYWKBFZ-UHFFFAOYSA-N -2 3 289.260 1.166 20 0 CDADHL CCCS(=O)(=O)[N-]c1cc(C(=O)OC)ccc1[O-] ZINC001253692656 952040030 /nfs/dbraw/zinc/04/00/30/952040030.db2.gz LNZMTEKVTGLIJC-UHFFFAOYSA-N -2 3 273.310 1.331 20 0 CDADHL CSc1cc(C(=O)NCc2nc([O-])cc(=O)[n-]2)co1 ZINC001363039032 971836134 /nfs/dbraw/zinc/83/61/34/971836134.db2.gz PWBBBXBWKJOOLA-UHFFFAOYSA-N -2 3 281.293 1.133 20 0 CDADHL COc1cccc([O-])c1C(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000404739192 953381044 /nfs/dbraw/zinc/38/10/44/953381044.db2.gz VUMXJNPSOPMNKL-ZJUUUORDSA-N -2 3 293.319 1.584 20 0 CDADHL Cc1cc(=O)[n-]c(CNC(=O)c2ccc(F)cc2[O-])n1 ZINC001365210374 955729062 /nfs/dbraw/zinc/72/90/62/955729062.db2.gz PNFPFPYMASZYQZ-UHFFFAOYSA-N -2 3 277.255 1.265 20 0 CDADHL O=C([O-])Cc1ccccc1NC(=O)c1c[n-]ncc1=O ZINC001574738774 957681748 /nfs/dbraw/zinc/68/17/48/957681748.db2.gz WVLFSGKZOUWUBN-UHFFFAOYSA-N -2 3 273.248 1.062 20 0 CDADHL C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1c([O-])cccc1O ZINC000232429750 960268244 /nfs/dbraw/zinc/26/82/44/960268244.db2.gz BDSXZPDIUJHTQN-SFYZADRCSA-N -2 3 265.265 1.033 20 0 CDADHL O=C([O-])C[C@@H]([N-]C(=O)C(F)(F)C(F)F)C1CC1 ZINC000236433258 960592843 /nfs/dbraw/zinc/59/28/43/960592843.db2.gz ARGQAUYYIJMSJL-RXMQYKEDSA-N -2 3 257.183 1.256 20 0 CDADHL CCc1cccc(C(=O)Nc2cc(C(=O)[O-])n[nH]2)c1[O-] ZINC001573961510 961690103 /nfs/dbraw/zinc/69/01/03/961690103.db2.gz ZAYRLRHTIJTDIB-UHFFFAOYSA-N -2 3 275.264 1.628 20 0 CDADHL CC(C)c1ccc(C(=O)N2CCOC[C@H]2C(=O)[O-])c([O-])c1 ZINC001588962490 962625843 /nfs/dbraw/zinc/62/58/43/962625843.db2.gz GLXSXFSUHXFLHR-LBPRGKRZSA-N -2 3 293.319 1.441 20 0 CDADHL CC(C)[C@@]1(C)C[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694210062 976682291 /nfs/dbraw/zinc/68/22/91/976682291.db2.gz NAZBQVBDNPXGQM-JOYOIKCWSA-N -2 3 287.337 1.691 20 0 CDADHL C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2occc2C(=O)[O-])C1 ZINC001604700127 1163288131 /nfs/dbraw/zinc/28/81/31/1163288131.db2.gz OLEWITJUXDVBEX-IUCAKERBSA-N -2 3 287.337 1.692 20 0 CDADHL CCc1cc(C(=O)[O-])ccc1NC(=O)c1cc(=O)[n-]cn1 ZINC001597464531 987898368 /nfs/dbraw/zinc/89/83/68/987898368.db2.gz MSEWJWVNJSHMSG-UHFFFAOYSA-N -2 3 287.275 1.695 20 0 CDADHL CCc1ccc([O-])c(C(=O)NOCCCC(=O)[O-])c1 ZINC001597556240 988287670 /nfs/dbraw/zinc/28/76/70/988287670.db2.gz JKICNHHYOUXKRE-UHFFFAOYSA-N -2 3 267.281 1.481 20 0 CDADHL COCC[C@H](NC(=O)c1ccc(C(C)C)cc1[O-])C(=O)[O-] ZINC001599216555 997592075 /nfs/dbraw/zinc/59/20/75/997592075.db2.gz ZSQRORICMNWATG-LBPRGKRZSA-N -2 3 295.335 1.735 20 0 CDADHL C[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001594359398 999357995 /nfs/dbraw/zinc/35/79/95/999357995.db2.gz GJWGBPAEHKDJQF-DTWKUNHWSA-N -2 3 287.337 1.692 20 0 CDADHL C[C@]1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C[C@H]2C[C@H]2C1 ZINC000629341931 361848538 /nfs/dbraw/zinc/84/85/38/361848538.db2.gz KQJHLVBMRRTFIH-WOFXILAISA-N -2 3 299.348 1.692 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CCC3(C[C@H]3C(=O)[O-])CC2)n1 ZINC000569701154 362455088 /nfs/dbraw/zinc/45/50/88/362455088.db2.gz VNJDBZOPSKNBPS-NSHDSACASA-N -2 3 291.351 1.431 20 0 CDADHL COC(=O)CCS(=O)(=O)[N-]c1cccc(C)c1[O-] ZINC000093655226 345358391 /nfs/dbraw/zinc/35/83/91/345358391.db2.gz NFSPAEBAHKAEJX-UHFFFAOYSA-N -2 3 273.310 1.005 20 0 CDADHL Cc1nnc(-n2[n-]c3c(c2=O)CCCCC3)[n-]c1=O ZINC000614184730 348027907 /nfs/dbraw/zinc/02/79/07/348027907.db2.gz GJBLYPAREAVQQO-QMMMGPOBSA-N -2 3 261.285 1.169 20 0 CDADHL Cc1cc(C(=O)N=c2nc3n([n-]2)CCCC3)ccc1[O-] ZINC000333706379 363110686 /nfs/dbraw/zinc/11/06/86/363110686.db2.gz FRTWTXNIQIZASC-UHFFFAOYSA-N -2 3 272.308 1.303 20 0 CDADHL COc1ccc(C(=O)NCCCCCC(=O)[O-])c([O-])c1 ZINC000019439546 358062114 /nfs/dbraw/zinc/06/21/14/358062114.db2.gz MQXXKZBYDKHDTK-UHFFFAOYSA-N -2 3 281.308 1.776 20 0 CDADHL C[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc3n[n-]nc3c2)C1 ZINC000062868935 360015960 /nfs/dbraw/zinc/01/59/60/360015960.db2.gz AYZFSIZYYUPPKA-CQSZACIVSA-N -2 3 288.307 1.285 20 0 CDADHL O=C(Nc1nnc(-c2ccco2)[n-]1)C(=O)c1ccc([O-])cc1 ZINC000436884784 361599959 /nfs/dbraw/zinc/59/99/59/361599959.db2.gz HQBUIBBHWJMGAE-UHFFFAOYSA-N -2 3 298.258 1.592 20 0 CDADHL O=C(Nc1nc(-c2ccco2)n[n-]1)C(=O)c1ccc([O-])cc1 ZINC000436884784 361599960 /nfs/dbraw/zinc/59/99/60/361599960.db2.gz HQBUIBBHWJMGAE-UHFFFAOYSA-N -2 3 298.258 1.592 20 0 CDADHL O=C(Nc1n[n-]c(-c2ccco2)n1)C(=O)c1ccc([O-])cc1 ZINC000436884784 361599964 /nfs/dbraw/zinc/59/99/64/361599964.db2.gz HQBUIBBHWJMGAE-UHFFFAOYSA-N -2 3 298.258 1.592 20 0 CDADHL COc1ccc([O-])c(NC(=O)C(=O)c2ccc([O-])cc2)c1 ZINC000436948251 361617776 /nfs/dbraw/zinc/61/77/76/361617776.db2.gz SWXWJLFPUGVQLH-UHFFFAOYSA-N -2 3 287.271 1.928 20 0 CDADHL Cc1csc(S(=O)(=O)[N-][C@@H](C)CC(=O)[O-])c1 ZINC000457349367 364007413 /nfs/dbraw/zinc/00/74/13/364007413.db2.gz IWDSMMIWTYWEJP-ZETCQYMHSA-N -2 3 263.340 1.198 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]CC2(C)CCC2)cc1C(=O)[O-] ZINC000570393910 294230134 /nfs/dbraw/zinc/23/01/34/294230134.db2.gz SUKKKWXIQMOHDL-UHFFFAOYSA-N -2 3 287.337 1.755 20 0 CDADHL CC(C)(NC(=O)Cc1ccc([O-])cc1Cl)c1nnn[n-]1 ZINC000357377154 366960044 /nfs/dbraw/zinc/96/00/44/366960044.db2.gz QXJPCSTYJWGZHH-UHFFFAOYSA-N -2 3 295.730 1.153 20 0 CDADHL O=C([N-]c1n[n-]c(C(F)(F)F)n1)c1conc1C1CC1 ZINC000280825364 367553102 /nfs/dbraw/zinc/55/31/02/367553102.db2.gz SFQWJLHWKXWEHQ-UHFFFAOYSA-N -2 3 287.201 1.941 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])sc1Cl ZINC000231806499 367556131 /nfs/dbraw/zinc/55/61/31/367556131.db2.gz DEWOTFFMKFRIDO-YFKPBYRVSA-N -2 3 283.758 1.461 20 0 CDADHL CO[C@@H](C)CS(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC000282281138 367810096 /nfs/dbraw/zinc/81/00/96/367810096.db2.gz UXLRRNJHSBMJES-QMMMGPOBSA-N -2 3 273.310 1.161 20 0 CDADHL Cc1ccc(C(=O)N(C)[C@@H](C)CC(=O)[O-])c([O-])c1 ZINC000581835489 373260389 /nfs/dbraw/zinc/26/03/89/373260389.db2.gz BRDWGUDSVMNKED-VIFPVBQESA-N -2 3 251.282 1.636 20 0 CDADHL Cc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])c1 ZINC000084147278 373664207 /nfs/dbraw/zinc/66/42/07/373664207.db2.gz RCQDGNHNFJQNGK-UHFFFAOYSA-N -2 3 289.328 1.666 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CC[C@@H](C)C[C@@H]2C(=O)[O-])n1 ZINC000571929061 377597694 /nfs/dbraw/zinc/59/76/94/377597694.db2.gz FETUWEDOEHVFRM-MWLCHTKSSA-N -2 3 279.340 1.430 20 0 CDADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](CCF)C(=O)[O-] ZINC000656162090 413064301 /nfs/dbraw/zinc/06/43/01/413064301.db2.gz BJNIETAXMFBZIW-VIFPVBQESA-N -2 3 293.291 1.225 20 0 CDADHL Cc1n[n-]c(=NCc2nnc(C(F)(F)F)[n-]2)s1 ZINC000359720571 158351579 /nfs/dbraw/zinc/35/15/79/158351579.db2.gz WXOKFDBUOYIELE-UHFFFAOYSA-N -2 3 264.236 1.017 20 0 CDADHL Cc1n[n-]c(=NCc2n[n-]c(C(F)(F)F)n2)s1 ZINC000359720571 158351582 /nfs/dbraw/zinc/35/15/82/158351582.db2.gz WXOKFDBUOYIELE-UHFFFAOYSA-N -2 3 264.236 1.017 20 0 CDADHL Cc1n[n-]c(=NCc2nc(C(F)(F)F)n[n-]2)s1 ZINC000359720571 158351583 /nfs/dbraw/zinc/35/15/83/158351583.db2.gz WXOKFDBUOYIELE-UHFFFAOYSA-N -2 3 264.236 1.017 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CCC[C@H](CCC(=O)[O-])C2)n1 ZINC000652495545 424491207 /nfs/dbraw/zinc/49/12/07/424491207.db2.gz ZYBPMLIXRSSNTD-LLVKDONJSA-N -2 3 293.367 1.821 20 0 CDADHL CC(C)(C)n1nnc(C(=O)[N-]c2cc(C(=O)[O-])cs2)n1 ZINC000659145579 424550836 /nfs/dbraw/zinc/55/08/36/424550836.db2.gz BKSQEGIKLGYFKX-UHFFFAOYSA-N -2 3 295.324 1.440 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCF)s1 ZINC000380865638 323619833 /nfs/dbraw/zinc/61/98/33/323619833.db2.gz VBEVPSYVFKONAL-UHFFFAOYSA-N -2 3 267.303 1.084 20 0 CDADHL CC1N=NC(C(=O)Nc2cccc([O-])c2F)=C1[O-] ZINC000677801685 482784684 /nfs/dbraw/zinc/78/46/84/482784684.db2.gz ZZRZOSINFPTCIS-UHFFFAOYSA-N -2 3 251.217 1.521 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)C12CCC(CC1)CC2 ZINC001601994778 1175103805 /nfs/dbraw/zinc/10/38/05/1175103805.db2.gz LGZVZWVHESLKDS-UHFFFAOYSA-N -2 3 255.314 1.869 20 0 CDADHL O=C([O-])[C@H]1CCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000037435036 597160901 /nfs/dbraw/zinc/16/09/01/597160901.db2.gz FKOKBEYLAYGWTP-GFCCVEGCSA-N -2 3 286.287 1.217 20 0 CDADHL CC[C@H](C)[C@H](NC(=O)c1cc2c(cc1[O-])OCO2)C(=O)[O-] ZINC000820449121 598148659 /nfs/dbraw/zinc/14/86/59/598148659.db2.gz DDNUJEHDLHIUOH-MADCSZMMSA-N -2 3 295.291 1.350 20 0 CDADHL O=c1[n-]c(CSc2ccc(-c3nn[n-]n3)cc2F)n[nH]1 ZINC000826501814 608398522 /nfs/dbraw/zinc/39/85/22/608398522.db2.gz IDROHZFCQUPGBF-UHFFFAOYSA-N -2 3 293.287 1.122 20 0 CDADHL O=C([O-])c1ccc(CNC(=O)c2ccccc2[O-])o1 ZINC000094554623 600476260 /nfs/dbraw/zinc/47/62/60/600476260.db2.gz TUQGWRWAUAVAKT-UHFFFAOYSA-N -2 3 261.233 1.613 20 0 CDADHL COC(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)[O-])cc1[O-] ZINC000820672924 600730540 /nfs/dbraw/zinc/73/05/40/600730540.db2.gz ICLCSKASPNPIGE-ZCFIWIBFSA-N -2 3 283.236 1.200 20 0 CDADHL O=c1[n-]c(CSc2ccc(-c3nnn[n-]3)cc2F)n[nH]1 ZINC000826501814 608398519 /nfs/dbraw/zinc/39/85/19/608398519.db2.gz IDROHZFCQUPGBF-UHFFFAOYSA-N -2 3 293.287 1.122 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@H]2CC[C@H](C)C2)oc1C(=O)[O-] ZINC000903026141 625803480 /nfs/dbraw/zinc/80/34/80/625803480.db2.gz MQCYHWNCCXFLDC-CBAPKCEASA-N -2 3 287.337 1.753 20 0 CDADHL CCC[C@@](C)(NC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000908870493 628395320 /nfs/dbraw/zinc/39/53/20/628395320.db2.gz AYOPOHHNXLVYNE-CQSZACIVSA-N -2 3 283.299 1.833 20 0 CDADHL O=C([O-])CN(C(=O)Cc1ccc([O-])c(F)c1)C1CC1 ZINC000908889033 628413204 /nfs/dbraw/zinc/41/32/04/628413204.db2.gz KTEDSIPVASCRDW-UHFFFAOYSA-N -2 3 267.256 1.149 20 0 CDADHL C[C@H](CC(=O)[O-])CC(=O)[N-]OCc1ccc(F)cc1 ZINC000911805549 629536474 /nfs/dbraw/zinc/53/64/74/629536474.db2.gz LWYDNLRDJLJBHW-VIFPVBQESA-N -2 3 269.272 1.874 20 0 CDADHL CCCCOC[C@H](C)OC[C@@H](C)OCCP(=O)([O-])[O-] ZINC001224601744 1160779288 /nfs/dbraw/zinc/77/92/88/1160779288.db2.gz KLFWIFFPJGFZPX-NWDGAFQWSA-N -2 3 298.316 1.791 20 0 CDADHL CCN(CCC(=O)[O-])Cc1ccc([O-])c(F)c1F ZINC001605442961 1163566064 /nfs/dbraw/zinc/56/60/64/1163566064.db2.gz JRBAVMSOSNMKDY-UHFFFAOYSA-N -2 3 259.252 1.967 20 0 CDADHL CCc1ccc(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)c([O-])c1 ZINC001605804799 1163677484 /nfs/dbraw/zinc/67/74/84/1163677484.db2.gz LSMKIQYQUQBVSY-OAHLLOKOSA-N -2 3 277.320 1.938 20 0 CDADHL O=C(Nc1ccccc1-c1nnn[n-]1)c1cccc(F)c1[O-] ZINC001586503238 1172950234 /nfs/dbraw/zinc/95/02/34/1172950234.db2.gz UOGDPSWYPATTNC-UHFFFAOYSA-N -2 3 299.265 1.964 20 0 CDADHL O=C(Nc1ccccc1-c1nn[n-]n1)c1cccc(F)c1[O-] ZINC001586503238 1172950239 /nfs/dbraw/zinc/95/02/39/1172950239.db2.gz UOGDPSWYPATTNC-UHFFFAOYSA-N -2 3 299.265 1.964 20 0 CDADHL CC[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)C(=O)[O-] ZINC001590856861 1173527329 /nfs/dbraw/zinc/52/73/29/1173527329.db2.gz DRHVZWJQWWRENG-SSDOTTSWSA-N -2 3 282.691 1.190 20 0 CDADHL CC[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)C(=O)[O-] ZINC001590856861 1173527336 /nfs/dbraw/zinc/52/73/36/1173527336.db2.gz DRHVZWJQWWRENG-SSDOTTSWSA-N -2 3 282.691 1.190 20 0 CDADHL COc1cc(OCCCC(=O)[O-])ccc1-c1nnn[n-]1 ZINC001591553590 1173668915 /nfs/dbraw/zinc/66/89/15/1173668915.db2.gz HMYGGJWRYPPDKP-UHFFFAOYSA-N -2 3 278.268 1.119 20 0 CDADHL COc1cc(OCCCC(=O)[O-])ccc1-c1nn[n-]n1 ZINC001591553590 1173668918 /nfs/dbraw/zinc/66/89/18/1173668918.db2.gz HMYGGJWRYPPDKP-UHFFFAOYSA-N -2 3 278.268 1.119 20 0 CDADHL C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2)CC[C@@H]1C(=O)[O-] ZINC001591745820 1173694996 /nfs/dbraw/zinc/69/49/96/1173694996.db2.gz JTEXPYZQZQGHPR-SKDRFNHKSA-N -2 3 287.323 1.414 20 0 CDADHL Cc1cc(-c2nnn[n-]2)ccc1CSc1n[nH]c(=O)[n-]1 ZINC001591866623 1173727134 /nfs/dbraw/zinc/72/71/34/1173727134.db2.gz KOKQBIDHXZDKDO-UHFFFAOYSA-N -2 3 289.324 1.291 20 0 CDADHL Cc1cc(-c2nn[n-]n2)ccc1CSc1n[nH]c(=O)[n-]1 ZINC001591866623 1173727139 /nfs/dbraw/zinc/72/71/39/1173727139.db2.gz KOKQBIDHXZDKDO-UHFFFAOYSA-N -2 3 289.324 1.291 20 0 CDADHL Cc1ccnc(N[C@H](CC(C)C)C(=O)[O-])c1-c1nnn[n-]1 ZINC001592275716 1173842905 /nfs/dbraw/zinc/84/29/05/1173842905.db2.gz WCESMUYUKYQPKJ-SECBINFHSA-N -2 3 290.327 1.481 20 0 CDADHL Cc1ccnc(N[C@H](CC(C)C)C(=O)[O-])c1-c1nn[n-]n1 ZINC001592275716 1173842913 /nfs/dbraw/zinc/84/29/13/1173842913.db2.gz WCESMUYUKYQPKJ-SECBINFHSA-N -2 3 290.327 1.481 20 0 CDADHL Cc1nc(SCCC(=O)[O-])ccc1-c1nnn[n-]1 ZINC001592399130 1173882077 /nfs/dbraw/zinc/88/20/77/1173882077.db2.gz MCHZHVBJULXKPY-UHFFFAOYSA-N -2 3 265.298 1.137 20 0 CDADHL Cc1nc(SCCC(=O)[O-])ccc1-c1nn[n-]n1 ZINC001592399130 1173882080 /nfs/dbraw/zinc/88/20/80/1173882080.db2.gz MCHZHVBJULXKPY-UHFFFAOYSA-N -2 3 265.298 1.137 20 0 CDADHL O=C(Cc1ccoc1)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001592928019 1174002950 /nfs/dbraw/zinc/00/29/50/1174002950.db2.gz FIMAWVXJEKXSIK-UHFFFAOYSA-N -2 3 285.263 1.112 20 0 CDADHL O=C(Cc1ccoc1)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001592928019 1174002954 /nfs/dbraw/zinc/00/29/54/1174002954.db2.gz FIMAWVXJEKXSIK-UHFFFAOYSA-N -2 3 285.263 1.112 20 0 CDADHL Cc1cc(=O)[n-]c(N2CCc3ccc(C(=O)[O-])cc3C2)n1 ZINC001600286271 1174439259 /nfs/dbraw/zinc/43/92/59/1174439259.db2.gz XDMPMQJDEIYGGA-UHFFFAOYSA-N -2 3 285.303 1.752 20 0 CDADHL Cc1ccc(C(=O)Nc2nn(C)cc2C(=O)[O-])c([O-])c1 ZINC001600344580 1174449892 /nfs/dbraw/zinc/44/98/92/1174449892.db2.gz FPQVSTYWCRRAOJ-UHFFFAOYSA-N -2 3 275.264 1.385 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C(=O)[O-])o1 ZINC001600479526 1174487690 /nfs/dbraw/zinc/48/76/90/1174487690.db2.gz BMRZBXPSFJNROS-RKDXNWHRSA-N -2 3 273.310 1.120 20 0 CDADHL O=C([O-])C1=CC[C@H](NC(=O)c2nnc3ccccc3c2[O-])C1 ZINC001601737536 1174976789 /nfs/dbraw/zinc/97/67/89/1174976789.db2.gz KLFKQWYHCHVARX-VIFPVBQESA-N -2 3 299.286 1.239 20 0 CDADHL O=C([O-])c1coc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)c1 ZINC001602551435 1175290927 /nfs/dbraw/zinc/29/09/27/1175290927.db2.gz YBIVUFUYXYVDFN-UHFFFAOYSA-N -2 3 287.231 1.812 20 0 CDADHL C[C@H](CN(C)c1ccc(Cl)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001603511862 1175560709 /nfs/dbraw/zinc/56/07/09/1175560709.db2.gz LHZILCSNYVESIN-SSDOTTSWSA-N -2 3 295.730 1.677 20 0 CDADHL C[C@H](CN(C)c1ccc(Cl)cc1-c1nn[n-]n1)C(=O)[O-] ZINC001603511862 1175560716 /nfs/dbraw/zinc/56/07/16/1175560716.db2.gz LHZILCSNYVESIN-SSDOTTSWSA-N -2 3 295.730 1.677 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@@H]2CC=C(C(=O)[O-])C2)o1 ZINC000853069512 698067176 /nfs/dbraw/zinc/06/71/76/698067176.db2.gz PEZPIBYLQLCLPR-SECBINFHSA-N -2 3 271.294 1.040 20 0 CDADHL CC[C@H](C)CO[N-]C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000794871139 698895189 /nfs/dbraw/zinc/89/51/89/698895189.db2.gz PWXAJJSJOGIXAO-JTQLQIEISA-N -2 3 280.324 1.216 20 0 CDADHL O=C([O-])CN(C(=O)c1cc([O-])ccc1Cl)C1CC1 ZINC000236420144 848351389 /nfs/dbraw/zinc/35/13/89/848351389.db2.gz RZBGFNQOTYHPEZ-UHFFFAOYSA-N -2 3 269.684 1.735 20 0 CDADHL O=C([O-])C1(CNC(=O)c2cc([O-])ccc2Cl)CC1 ZINC000236421849 849681161 /nfs/dbraw/zinc/68/11/61/849681161.db2.gz MZOXBVCAFMXGRT-UHFFFAOYSA-N -2 3 269.684 1.640 20 0 CDADHL CCC[C@H](Oc1[n-]c(=O)nc2cn[n-]c21)C(C)C ZINC001233939056 913151991 /nfs/dbraw/zinc/15/19/91/913151991.db2.gz GQLJIMSDPNJDNV-VIFPVBQESA-N -2 3 250.302 1.850 20 0 CDADHL Cc1noc(C)c1NC(=O)NCCCCP(=O)([O-])[O-] ZINC001185202048 919477283 /nfs/dbraw/zinc/47/72/83/919477283.db2.gz YPRCOPLRYKRVDP-UHFFFAOYSA-N -2 3 291.244 1.371 20 0 CDADHL COC(=O)c1ccc([O-])c(C(=O)Nc2cncc([O-])c2)c1 ZINC001192376746 923042141 /nfs/dbraw/zinc/04/21/41/923042141.db2.gz JZZIXPJZHKBOJJ-UHFFFAOYSA-N -2 3 288.259 1.532 20 0 CDADHL Cc1ccc([O-])c([N-]S(=O)(=O)C2CCC(=O)CC2)n1 ZINC001194758211 924343732 /nfs/dbraw/zinc/34/37/32/924343732.db2.gz RPPSXGWQJGUGAL-UHFFFAOYSA-N -2 3 284.337 1.349 20 0 CDADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cncc([O-])c1 ZINC001198739395 925505853 /nfs/dbraw/zinc/50/58/53/925505853.db2.gz QKJWCRIXKWMFKR-UHFFFAOYSA-N -3 3 294.288 1.286 20 0 CDADHL CC[C@H](CNC(=O)c1nnc2ccccc2c1[O-])C(=O)[O-] ZINC000844159066 931556314 /nfs/dbraw/zinc/55/63/14/931556314.db2.gz QZOPWHUOTPGYNW-MRVPVSSYSA-N -2 3 289.291 1.176 20 0 CDADHL COC(=O)CC1CCC(OCCP(=O)([O-])[O-])CC1 ZINC001224600934 941774203 /nfs/dbraw/zinc/77/42/03/941774203.db2.gz CAGYBGSOTLRXMS-UHFFFAOYSA-N -2 3 280.257 1.303 20 0 CDADHL C[C@@H](O)CCCC(=O)OCCCCP(=O)([O-])[O-] ZINC001225019028 941814508 /nfs/dbraw/zinc/81/45/08/941814508.db2.gz PETIAQTVWYMUPH-SECBINFHSA-N -2 3 268.246 1.039 20 0 CDADHL CC1(C)C[C@H](OCCCCP(=O)([O-])[O-])CCO1 ZINC001225018820 941814624 /nfs/dbraw/zinc/81/46/24/941814624.db2.gz ILEJKVIMZFGZFN-SNVBAGLBSA-N -2 3 266.274 1.919 20 0 CDADHL CCCCOC(=O)[C@H](C)Oc1nc2ncnc-2c([S-])[n-]1 ZINC001226780595 942067976 /nfs/dbraw/zinc/06/79/76/942067976.db2.gz QOMJUXQSTGXCEQ-ZETCQYMHSA-N -2 3 296.352 1.752 20 0 CDADHL C[C@@H](Oc1nc2[nH]c(=O)[nH]c(=O)c2[n-]1)C1=CC=C[CH]1 ZINC001227429422 942175740 /nfs/dbraw/zinc/17/57/40/942175740.db2.gz CISWMDAKRCBLGR-ZCFIWIBFSA-N -2 3 259.245 1.232 20 0 CDADHL C[C@@H](Oc1nc2[nH]c(=O)[nH]c([O-])c-2n1)C1=CC=C[CH]1 ZINC001227429422 942175743 /nfs/dbraw/zinc/17/57/43/942175743.db2.gz CISWMDAKRCBLGR-ZCFIWIBFSA-N -2 3 259.245 1.232 20 0 CDADHL O=c1nc(OC2CC(OCc3ccccc3)C2)[n-]c(=O)[n-]1 ZINC001227566975 942189956 /nfs/dbraw/zinc/18/99/56/942189956.db2.gz LIJTYBOGUADDPL-UHFFFAOYSA-N -2 3 289.291 1.409 20 0 CDADHL C[C@@H]1CC(Oc2[n-]c(=O)nc3cn[n-]c32)C[C@@H](C)C1 ZINC001233939215 943694990 /nfs/dbraw/zinc/69/49/90/943694990.db2.gz IHVFVYJPIMKFCO-YUMQZZPRSA-N -2 3 262.313 1.850 20 0 CDADHL O=S(=O)(CCc1ccc(F)cc1)[N-]c1ncccc1[O-] ZINC001259754700 945623577 /nfs/dbraw/zinc/62/35/77/945623577.db2.gz CLDKUUZKODOEBT-UHFFFAOYSA-N -2 3 296.323 1.911 20 0 CDADHL O=c1cc(-c2ccc(Cl)nc2)[n-]n1-c1cc(=O)[n-]cn1 ZINC001245946748 947865032 /nfs/dbraw/zinc/86/50/32/947865032.db2.gz SLCSAWMUOMJTTC-UHFFFAOYSA-N -2 3 289.682 1.789 20 0 CDADHL COc1cccc([O-])c1C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000404616847 953378860 /nfs/dbraw/zinc/37/88/60/953378860.db2.gz ITWKHKRFMBSNJM-QMMMGPOBSA-N -2 3 267.281 1.194 20 0 CDADHL COC(=O)c1cc(C(=O)[N-]c2cc([O-])c(F)cc2F)on1 ZINC001363185824 971955066 /nfs/dbraw/zinc/95/50/66/971955066.db2.gz VEHPBPXUFHRYDH-UHFFFAOYSA-N -2 3 298.201 1.697 20 0 CDADHL CN(CCC(=O)[O-])Cc1ccc(/C=C\C(=O)[O-])o1 ZINC001593740015 954351320 /nfs/dbraw/zinc/35/13/20/954351320.db2.gz GMZPODVUHQZJFQ-PLNGDYQASA-N -2 3 253.254 1.284 20 0 CDADHL C[C@@H](C(=O)[O-])C(=O)Nc1cc(Br)ccc1[O-] ZINC001609701315 970473041 /nfs/dbraw/zinc/47/30/41/970473041.db2.gz YYVYDUQICYRWBU-RXMQYKEDSA-N -2 3 288.097 1.814 20 0 CDADHL C[C@H]1CSC[C@@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000397965905 973045086 /nfs/dbraw/zinc/04/50/86/973045086.db2.gz GAWVAWJJXDHQFR-BQBZGAKWSA-N -2 3 291.350 1.008 20 0 CDADHL CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1conc1C)C(=O)[O-] ZINC001594951783 982661132 /nfs/dbraw/zinc/66/11/32/982661132.db2.gz BLXRMMUCGBHCPE-CBAPKCEASA-N -2 3 290.341 1.151 20 0 CDADHL CCc1ccc(C(=O)N2CCC[C@H]2C(=O)[O-])c([O-])c1 ZINC001597498847 988049119 /nfs/dbraw/zinc/04/91/19/988049119.db2.gz PQUCFVQANNECOQ-NSHDSACASA-N -2 3 263.293 1.644 20 0 CDADHL CCc1ccc(C(=O)N2CCOC[C@H]2CC(=O)[O-])c([O-])c1 ZINC001597500823 988059350 /nfs/dbraw/zinc/05/93/50/988059350.db2.gz XOJAGYFUHQGBRF-LLVKDONJSA-N -2 3 293.319 1.270 20 0 CDADHL COc1cccc([O-])c1C(=O)N[C@H]1C[C@@H](C(=O)[O-])[C@@H]2C[C@@H]21 ZINC001599680433 994971732 /nfs/dbraw/zinc/97/17/32/994971732.db2.gz QBZRLYKUMVYMGD-RGOKHQFPSA-N -2 3 291.303 1.240 20 0 CDADHL CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)C(F)F ZINC001605103349 1163452525 /nfs/dbraw/zinc/45/25/25/1163452525.db2.gz CAXDRWUAXFYURU-YFKPBYRVSA-N -2 3 299.320 1.768 20 0 CDADHL Cc1[n-][nH]c(=O)c1CCNc1ncc(C(=O)[O-])cc1Cl ZINC001594113578 998226157 /nfs/dbraw/zinc/22/61/57/998226157.db2.gz LPOQDJWTLSFAAA-MRVPVSSYSA-N -2 3 296.714 1.357 20 0 CDADHL CC(C)(C[N-]S(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000137482818 361927837 /nfs/dbraw/zinc/92/78/37/361927837.db2.gz STXLSZLMMBZOEE-UHFFFAOYSA-N -2 3 293.291 1.354 20 0 CDADHL CCc1nc(=NCc2cc(=O)[n-]c(C3CCC3)n2)s[n-]1 ZINC000641681097 365724790 /nfs/dbraw/zinc/72/47/90/365724790.db2.gz GFFRFDLQQRIAFQ-UHFFFAOYSA-N -2 3 291.380 1.898 20 0 CDADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cccs2)CCCC1 ZINC000137833359 342434108 /nfs/dbraw/zinc/43/41/08/342434108.db2.gz AIUKPNCDBUYHFB-UHFFFAOYSA-N -2 3 289.378 1.671 20 0 CDADHL C[C@@H](CCC[N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000229515117 346553515 /nfs/dbraw/zinc/55/35/15/346553515.db2.gz DYXRKCUCMAAGIX-VIFPVBQESA-N -2 3 289.328 1.605 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@H](CC(F)F)C(=O)[O-])c(C)o1 ZINC000275188584 365956370 /nfs/dbraw/zinc/95/63/70/365956370.db2.gz FGQBESJXZPEGBB-SSDOTTSWSA-N -2 3 297.279 1.283 20 0 CDADHL CC(C)n1[n-]cc/c1=N\C(=O)[N-]OCc1cccnc1 ZINC000158309680 188369371 /nfs/dbraw/zinc/36/93/71/188369371.db2.gz GBORLJIKZAGSBI-FOWTUZBSSA-N -2 3 275.312 1.534 20 0 CDADHL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)C1CC1 ZINC000273818849 192320514 /nfs/dbraw/zinc/32/05/14/192320514.db2.gz CFDNIRZWZFOBOP-UHFFFAOYSA-N -2 3 299.348 1.617 20 0 CDADHL COCCS(=O)(=O)[N-]c1cc(Cl)ccc1C(=O)[O-] ZINC000042808136 357081217 /nfs/dbraw/zinc/08/12/17/357081217.db2.gz BMMIVHWNLIGAEL-UHFFFAOYSA-N -2 3 293.728 1.426 20 0 CDADHL COc1ccc([O-])c(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)c1 ZINC000092919648 357748385 /nfs/dbraw/zinc/74/83/85/357748385.db2.gz RTFKTZQXUGFJSV-WPRPVWTQSA-N -2 3 279.292 1.336 20 0 CDADHL COc1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC000019439900 358062732 /nfs/dbraw/zinc/06/27/32/358062732.db2.gz ABYPFYXEIPGHMT-SECBINFHSA-N -2 3 279.292 1.338 20 0 CDADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(O)cc2)c1 ZINC000000189726 359276054 /nfs/dbraw/zinc/27/60/54/359276054.db2.gz LJUZJKLUVHTTLP-UHFFFAOYSA-N -2 3 293.300 1.891 20 0 CDADHL Cc1cccc(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)c1F ZINC000297181555 200107103 /nfs/dbraw/zinc/10/71/03/200107103.db2.gz LDKNQNIAVUWRFX-UHFFFAOYSA-N -2 3 287.312 1.277 20 0 CDADHL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000270422932 364595719 /nfs/dbraw/zinc/59/57/19/364595719.db2.gz GBLLBNQSHHLZJS-ZCFIWIBFSA-N -2 3 295.719 1.621 20 0 CDADHL O=C(CNC(=O)c1cccc([O-])c1)[N-]OC1CCCC1 ZINC000275399363 193021960 /nfs/dbraw/zinc/02/19/60/193021960.db2.gz ZSLFMUQXVGBBMS-UHFFFAOYSA-N -2 3 278.308 1.112 20 0 CDADHL Cc1cccc(S(=O)(=O)[N-]CCCCC(=O)[O-])c1F ZINC000274956310 371197465 /nfs/dbraw/zinc/19/74/65/371197465.db2.gz UFTLJSBBFKLYJJ-UHFFFAOYSA-N -2 3 289.328 1.667 20 0 CDADHL C[C@H](CCC1CC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000575178173 371768631 /nfs/dbraw/zinc/76/86/31/371768631.db2.gz NHANFANOBYOYJQ-MRVPVSSYSA-N -2 3 287.337 1.835 20 0 CDADHL CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000571707848 377467150 /nfs/dbraw/zinc/46/71/50/377467150.db2.gz MLFWOZNWLCEUIZ-DTWKUNHWSA-N -2 3 275.326 1.447 20 0 CDADHL COc1ccc([O-])c(C(=O)NCCCCC(=O)[O-])c1 ZINC000070198429 390603615 /nfs/dbraw/zinc/60/36/15/390603615.db2.gz DUOWNXHYWWXJNY-UHFFFAOYSA-N -2 3 267.281 1.386 20 0 CDADHL CC(F)(F)C[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000521211608 390891678 /nfs/dbraw/zinc/89/16/78/390891678.db2.gz NJBKUWVXUMAGAY-UHFFFAOYSA-N -2 3 297.254 1.457 20 0 CDADHL CC(C)c1n[n-]c(=NC(=O)c2cc(=O)cc(O)[n-]2)s1 ZINC000646632643 392604004 /nfs/dbraw/zinc/60/40/04/392604004.db2.gz GZQUJLVXLLDPCP-UHFFFAOYSA-N -2 3 280.309 1.142 20 0 CDADHL CCCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000645939782 393408047 /nfs/dbraw/zinc/40/80/47/393408047.db2.gz DCKCFCRWAIMGDR-UHFFFAOYSA-N -2 3 261.299 1.446 20 0 CDADHL CCCC[C@@H](NC(=O)c1ccccc1[O-])C(=O)[O-] ZINC000035410580 172181531 /nfs/dbraw/zinc/18/15/31/172181531.db2.gz LZAKIYGHUKQRTF-SNVBAGLBSA-N -2 3 251.282 1.765 20 0 CDADHL C[C@@](CCF)([N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000656725375 413604191 /nfs/dbraw/zinc/60/41/91/413604191.db2.gz VPWYACQUGMFUFP-VIFPVBQESA-N -2 3 281.330 1.229 20 0 CDADHL CCc1cc(=O)[n-]c(CN(C)[C@H]2C[C@@H](C(=O)[O-])C2)n1 ZINC000659802169 414137169 /nfs/dbraw/zinc/13/71/69/414137169.db2.gz QWRXYTZIDCPZOV-WAAGHKOSSA-N -2 3 265.313 1.040 20 0 CDADHL COc1ccc(C(=O)NC[C@@H](CC(=O)[O-])C2CC2)c([O-])c1 ZINC000659785903 414112774 /nfs/dbraw/zinc/11/27/74/414112774.db2.gz NXXPLJHYEMJQFY-SNVBAGLBSA-N -2 3 293.319 1.632 20 0 CDADHL CCCC[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000663420240 414245797 /nfs/dbraw/zinc/24/57/97/414245797.db2.gz OYMNREXBDJZQEB-UHFFFAOYSA-N -2 3 261.299 1.365 20 0 CDADHL Cc1cccc(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)c1F ZINC000565300526 293586823 /nfs/dbraw/zinc/58/68/23/293586823.db2.gz SPWBODAFCVXKLF-KYZUINATSA-N -2 3 287.312 1.276 20 0 CDADHL CCC(CC)(C[N-]S(=O)(=O)c1cscn1)C(=O)[O-] ZINC000569104291 294156965 /nfs/dbraw/zinc/15/69/65/294156965.db2.gz COOKYSPKVSBAQS-UHFFFAOYSA-N -2 3 292.382 1.312 20 0 CDADHL CC(=O)c1ccc(C(=O)N[C@@H](C(=O)[O-])C(C)C)cc1[O-] ZINC000577633759 317373612 /nfs/dbraw/zinc/37/36/12/317373612.db2.gz XLTSTTGKYIVSQK-GFCCVEGCSA-N -2 3 279.292 1.434 20 0 CDADHL Cc1cc(=O)[n-]c([C@H](C)N2C[C@@H](C)[C@@](C)(C(=O)[O-])C2)n1 ZINC000583446070 325177467 /nfs/dbraw/zinc/17/74/67/325177467.db2.gz MYORTYPUVRIFPJ-YACGNSKGSA-N -2 3 279.340 1.594 20 0 CDADHL CSC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000583932538 325269602 /nfs/dbraw/zinc/26/96/02/325269602.db2.gz VBUROWQXWUIZLE-LURJTMIESA-N -2 3 293.366 1.316 20 0 CDADHL O=C([O-])c1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc1 ZINC000670370022 482844972 /nfs/dbraw/zinc/84/49/72/482844972.db2.gz RHLBVRCHZUESHQ-ZZXKWVIFSA-N -3 3 286.243 1.749 20 0 CDADHL Cc1cccc(C(=O)NC[C@@H](C(=O)[O-])C(C)C)c1[O-] ZINC000087478872 482859585 /nfs/dbraw/zinc/85/95/85/482859585.db2.gz HIJAUWQYCBHFCE-LLVKDONJSA-N -2 3 265.309 1.787 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]c2ccc(=O)[nH]c2)cc1C(=O)[O-] ZINC001600856079 1174645136 /nfs/dbraw/zinc/64/51/36/1174645136.db2.gz NCNJWIYJFZMYRP-UHFFFAOYSA-N -2 3 298.276 1.188 20 0 CDADHL O=C([O-])N1CC([N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000740489626 576478326 /nfs/dbraw/zinc/47/83/26/576478326.db2.gz PVMMFCFAPFLQJQ-UHFFFAOYSA-N -2 3 296.757 1.042 20 0 CDADHL O=C([O-])[C@@H]1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000062118482 597503762 /nfs/dbraw/zinc/50/37/62/597503762.db2.gz PLFKIBZTEZKQMH-SECBINFHSA-N -2 3 286.287 1.075 20 0 CDADHL O=C([O-])c1sccc1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000063155389 600176738 /nfs/dbraw/zinc/17/67/38/600176738.db2.gz ZQIHEDYTQZPCHT-SSDOTTSWSA-N -2 3 291.350 1.367 20 0 CDADHL O=C([O-])c1coc(C(=O)NCc2ccc([O-])c(F)c2)c1 ZINC001602550544 1175291143 /nfs/dbraw/zinc/29/11/43/1175291143.db2.gz ISTSKCHAWUWALH-UHFFFAOYSA-N -2 3 279.223 1.753 20 0 CDADHL O=C([O-])C[C@@H]1CSCCN1C(=O)c1ccccc1[O-] ZINC000091128043 600670505 /nfs/dbraw/zinc/67/05/05/600670505.db2.gz FYVCIOWRFLEICV-SECBINFHSA-N -2 3 281.333 1.425 20 0 CDADHL CCc1cc(=O)[n-]c(CN[C@H](C(=O)[O-])c2ccccc2)n1 ZINC000820480003 602235146 /nfs/dbraw/zinc/23/51/46/602235146.db2.gz NUDMOLLHRPZEDU-AWEZNQCLSA-N -2 3 287.319 1.660 20 0 CDADHL C[C@H](NC(=O)Cc1ccc([O-])c(F)c1)[C@H](C)C(=O)[O-] ZINC000909650211 620545301 /nfs/dbraw/zinc/54/53/01/620545301.db2.gz UNGSQJQCNIREAL-YUMQZZPRSA-N -2 3 269.272 1.299 20 0 CDADHL C[C@@H](C[N-]S(=O)(=O)c1occc1C(=O)[O-])C(C)(C)C ZINC000903015747 625754018 /nfs/dbraw/zinc/75/40/18/625754018.db2.gz BYEDXUYARDHFMH-QMMMGPOBSA-N -2 3 289.353 1.938 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H]1C[C@H]2CCC[C@@H]21 ZINC000903549761 626022386 /nfs/dbraw/zinc/02/23/86/626022386.db2.gz RIPAIXNAQWTXCY-KHQFGBGNSA-N -2 3 285.321 1.445 20 0 CDADHL CC(C)CN(CC(=O)[O-])C(=O)Cc1ccc([O-])c(F)c1 ZINC000908883754 628411018 /nfs/dbraw/zinc/41/10/18/628411018.db2.gz SNPQEWKIHZMFEO-UHFFFAOYSA-N -2 3 283.299 1.643 20 0 CDADHL CC(C)([N-]C(=O)C(C)(F)F)c1cc(C(=O)[O-])on1 ZINC001604249777 1163133728 /nfs/dbraw/zinc/13/37/28/1163133728.db2.gz RBZZVFMOJAFOKZ-UHFFFAOYSA-N -2 3 262.212 1.379 20 0 CDADHL Cc1nc(N2CCc3cc(C(=O)[O-])ccc3C2)cc(=O)[n-]1 ZINC001607968101 1164356225 /nfs/dbraw/zinc/35/62/25/1164356225.db2.gz VWZVCNWHRAZJKW-UHFFFAOYSA-N -2 3 285.303 1.752 20 0 CDADHL O=C([O-])C(=O)CCCOC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC001610713841 1165412615 /nfs/dbraw/zinc/41/26/15/1165412615.db2.gz VYHPDRRQFSHCFZ-UHFFFAOYSA-N -2 3 294.090 1.912 20 0 CDADHL CC[C@@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)[O-] ZINC000095258612 1166612570 /nfs/dbraw/zinc/61/25/70/1166612570.db2.gz WWILIJLISBUPLH-SECBINFHSA-N -2 3 281.703 1.795 20 0 CDADHL O=C([O-])[C@@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001593279532 1174048495 /nfs/dbraw/zinc/04/84/95/1174048495.db2.gz PQEQMWYEWGGXFT-BDAKNGLRSA-N -2 3 291.286 1.671 20 0 CDADHL Cc1nc2c(c(=O)[n-]1)CN(Cc1occc1C(=O)[O-])C2 ZINC001600719531 1174579425 /nfs/dbraw/zinc/57/94/25/1174579425.db2.gz WTSPFQVDCKUJPA-UHFFFAOYSA-N -2 3 275.264 1.298 20 0 CDADHL Cc1nsc([N-]C(=O)c2ccc(/C=C/C(=O)[O-])o2)n1 ZINC001600820343 1174629600 /nfs/dbraw/zinc/62/96/00/1174629600.db2.gz ZVVWRKQVIAKWJP-HWKANZROSA-N -2 3 279.277 1.790 20 0 CDADHL O=C([O-])[C@@H]([N-]C(=O)C(F)(F)c1nccs1)C1CC1 ZINC001601665036 1174935281 /nfs/dbraw/zinc/93/52/81/1174935281.db2.gz SIHXSUAFARVMBY-LURJTMIESA-N -2 3 276.264 1.214 20 0 CDADHL CC(C)(CC(=O)[O-])CC(=O)[N-]Oc1ccccc1 ZINC001603583463 1175570392 /nfs/dbraw/zinc/57/03/92/1175570392.db2.gz AZFUMKOXZHHTML-UHFFFAOYSA-N -2 3 251.282 1.988 20 0 CDADHL CCc1c(C)[n-]n(-c2ccc(-c3nnn[n-]3)cn2)c1=O ZINC001604096860 1175759048 /nfs/dbraw/zinc/75/90/48/1175759048.db2.gz KIFYDLQQXNKJHP-VIFPVBQESA-N -2 3 271.284 1.010 20 0 CDADHL CCc1c(C)[n-]n(-c2ccc(-c3nn[n-]n3)cn2)c1=O ZINC001604096860 1175759052 /nfs/dbraw/zinc/75/90/52/1175759052.db2.gz KIFYDLQQXNKJHP-VIFPVBQESA-N -2 3 271.284 1.010 20 0 CDADHL CC(C)(F)CC[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871995421 710240754 /nfs/dbraw/zinc/24/07/54/710240754.db2.gz XFDURLQUAUBDOD-UHFFFAOYSA-N -2 3 279.289 1.394 20 0 CDADHL O=C([O-])[C@H]1CCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000236436753 711768418 /nfs/dbraw/zinc/76/84/18/711768418.db2.gz RBMSPVYIZUBPRN-ZETCQYMHSA-N -2 3 269.684 1.592 20 0 CDADHL C[C@@H]1CN(C(=O)Cc2ccc([O-])c(F)c2)C[C@H]1C(=O)[O-] ZINC001610392220 1165304208 /nfs/dbraw/zinc/30/42/08/1165304208.db2.gz YMSBUVPCIVFTCE-PSASIEDQSA-N -2 3 281.283 1.253 20 0 CDADHL Cc1noc(C)c1[N-]C(=O)c1cc(C(=O)[O-])co1 ZINC001610576712 1165363478 /nfs/dbraw/zinc/36/34/78/1165363478.db2.gz FIHZEBLOXXTLAG-UHFFFAOYSA-N -2 3 250.210 1.835 20 0 CDADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H](C)CC(C)C)c1C(=O)[O-] ZINC001574181560 1167631282 /nfs/dbraw/zinc/63/12/82/1167631282.db2.gz AWWCLGJAWABXSS-ZETCQYMHSA-N -2 3 289.357 1.129 20 0 CDADHL CC(=O)[C@H](OCCP(=O)([O-])[O-])c1ccccc1 ZINC001224602681 909916092 /nfs/dbraw/zinc/91/60/92/909916092.db2.gz SGNRRWNSOYILSC-NSHDSACASA-N -2 3 258.210 1.511 20 0 CDADHL O=S(=O)(CCCF)[N-]c1cc(F)ccc1[O-] ZINC001189910711 921713503 /nfs/dbraw/zinc/71/35/03/921713503.db2.gz ARJJUZWUJLSKSF-UHFFFAOYSA-N -2 3 251.254 1.633 20 0 CDADHL CC(C)(C(=O)NCCCCP(=O)([O-])[O-])C(F)(F)F ZINC001180450334 916391585 /nfs/dbraw/zinc/39/15/85/916391585.db2.gz GXRFBKXEKOEECO-UHFFFAOYSA-N -2 3 291.206 1.649 20 0 CDADHL CCc1ccc(NC(=O)NCCP(=O)([O-])[O-])cc1 ZINC001202944984 936627469 /nfs/dbraw/zinc/62/74/69/936627469.db2.gz YAHSHVYQEPJPBG-UHFFFAOYSA-N -2 3 272.241 1.548 20 0 CDADHL Cc1cc(C(=O)NCCCCP(=O)([O-])[O-])cn1C ZINC001188078409 920818845 /nfs/dbraw/zinc/81/88/45/920818845.db2.gz UUJBNRDXVUTAQI-UHFFFAOYSA-N -2 3 274.257 1.021 20 0 CDADHL O=C(NCCP(=O)([O-])[O-])Nc1cccc(Cl)c1F ZINC001188417200 921015148 /nfs/dbraw/zinc/01/51/48/921015148.db2.gz ZTVNCAMSONDTMQ-UHFFFAOYSA-N -2 3 296.622 1.778 20 0 CDADHL O=S(=O)([N-]c1cncc([O-])c1)c1cnccc1Cl ZINC001192855462 923301485 /nfs/dbraw/zinc/30/14/85/923301485.db2.gz JEROIXWFLFJLFO-UHFFFAOYSA-N -2 3 285.712 1.636 20 0 CDADHL CC/C=C/[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195257801 924513789 /nfs/dbraw/zinc/51/37/89/924513789.db2.gz IKRCYXPSUGGGCS-ONEGZZNKSA-N -2 3 291.275 1.865 20 0 CDADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc([O-])cnc1Cl ZINC001195312445 924544311 /nfs/dbraw/zinc/54/43/11/924544311.db2.gz GKHHJVSCWAKRDY-UHFFFAOYSA-N -2 3 296.714 1.150 20 0 CDADHL Cc1ccc([O-])c(C(=O)Nc2cc(=O)[n-]c(Cl)n2)n1 ZINC001195320159 924550651 /nfs/dbraw/zinc/55/06/51/924550651.db2.gz XNBNQWSJUCWBOQ-UHFFFAOYSA-N -2 3 280.671 1.497 20 0 CDADHL O=C([O-])c1ccc(NC(=S)Nc2cnc[n-]c2=O)cc1 ZINC001197082824 925050274 /nfs/dbraw/zinc/05/02/74/925050274.db2.gz JHBNIQLAJSTTAO-UHFFFAOYSA-N -2 3 290.304 1.689 20 0 CDADHL Cc1ccc(NC(=O)NCCP(=O)([O-])[O-])cc1 ZINC001202435825 926562184 /nfs/dbraw/zinc/56/21/84/926562184.db2.gz IZECZNMLJKZUEZ-UHFFFAOYSA-N -2 3 258.214 1.294 20 0 CDADHL O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)NCCCCP(=O)([O-])[O-] ZINC001144301220 931746145 /nfs/dbraw/zinc/74/61/45/931746145.db2.gz ODLRKZOBGMSLSC-GRYCIOLGSA-N -2 3 289.312 1.887 20 0 CDADHL COC(=O)c1ccc([O-])c([N-]S(=O)(=O)C2CC2)c1 ZINC001259275168 935849360 /nfs/dbraw/zinc/84/93/60/935849360.db2.gz OPPBHKAEVYLXLW-UHFFFAOYSA-N -2 3 271.294 1.083 20 0 CDADHL C[C@H](OCCCCP(=O)([O-])[O-])C(F)(F)F ZINC001225019920 941814612 /nfs/dbraw/zinc/81/46/12/941814612.db2.gz GZXWKSOBVJSXMT-LURJTMIESA-N -2 3 250.153 1.912 20 0 CDADHL CCCOC[C@@H](C)OCCCCP(=O)([O-])[O-] ZINC001225018571 941815257 /nfs/dbraw/zinc/81/52/57/941815257.db2.gz AZKVSLMTQDYTOD-SNVBAGLBSA-N -2 3 254.263 1.776 20 0 CDADHL COc1cc(-c2nc([C@H](C)C(=O)[O-])no2)cc(OC)c1[O-] ZINC001611024040 970855484 /nfs/dbraw/zinc/85/54/84/970855484.db2.gz QESUQJMBSDNMLG-LURJTMIESA-N -2 3 294.263 1.648 20 0 CDADHL CO[C@H](C)CO[C@H](C)COc1nc2ncnc-2c([S-])[n-]1 ZINC001226782022 942070071 /nfs/dbraw/zinc/07/00/71/942070071.db2.gz ONUHIXFXTPUCBU-HTQZYQBOSA-N -2 3 298.368 1.460 20 0 CDADHL CC(C)[C@H]1CC[C@H](Oc2nc(=O)[n-]c(=O)[n-]2)CC1 ZINC001227571490 942190349 /nfs/dbraw/zinc/19/03/49/942190349.db2.gz UWUZZRQXZWBFDP-KYZUINATSA-N -2 3 253.302 1.876 20 0 CDADHL O=c1nc2cn[n-]c2c(O[C@@H]2CC3CCC2CC3)[n-]1 ZINC001233938799 943695073 /nfs/dbraw/zinc/69/50/73/943695073.db2.gz FFYMCQFYWVOURQ-SFVIPPHHSA-N -2 3 260.297 1.604 20 0 CDADHL C[C@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1ncccc1F ZINC001233939661 943695480 /nfs/dbraw/zinc/69/54/80/943695480.db2.gz MLQRCMPOQDYYFI-LURJTMIESA-N -2 3 275.243 1.320 20 0 CDADHL CC(C)[C@H](Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)[O-] ZINC000095206268 944617440 /nfs/dbraw/zinc/61/74/40/944617440.db2.gz SFSZDEAGMYBSPF-JTQLQIEISA-N -2 3 279.275 1.527 20 0 CDADHL CC[C@@H](C)S(=O)(=O)[N-]c1cc(C(=O)OC)ccc1[O-] ZINC001260738176 945882063 /nfs/dbraw/zinc/88/20/63/945882063.db2.gz JJLLQLSRDFKSSL-MRVPVSSYSA-N -2 3 287.337 1.719 20 0 CDADHL CC[C@H](C)S(=O)(=O)[N-]c1ccc(C(N)=O)cc1[O-] ZINC001260743356 945889279 /nfs/dbraw/zinc/88/92/79/945889279.db2.gz OQAPJYUQDZSRAT-ZETCQYMHSA-N -2 3 272.326 1.031 20 0 CDADHL O=C([O-])c1cncc(-c2ccc(Cc3nnn[n-]3)cc2)c1 ZINC001241802954 946475827 /nfs/dbraw/zinc/47/58/27/946475827.db2.gz LZVMZFOKUFMJMX-UHFFFAOYSA-N -2 3 281.275 1.551 20 0 CDADHL O=C([O-])c1cncc(-c2ccc(Cc3nn[n-]n3)cc2)c1 ZINC001241802954 946475837 /nfs/dbraw/zinc/47/58/37/946475837.db2.gz LZVMZFOKUFMJMX-UHFFFAOYSA-N -2 3 281.275 1.551 20 0 CDADHL C=CC(=O)Nc1ccc([O-])c(C(=O)NC(C)(C)C(=O)[O-])c1 ZINC001602713294 971363623 /nfs/dbraw/zinc/36/36/23/971363623.db2.gz XYJIPAKVMRTNFA-UHFFFAOYSA-N -2 3 292.291 1.110 20 0 CDADHL O=C1[N-]S(=O)(=O)c2ccc(-c3c([O-])cccc3F)cc21 ZINC001245654355 947799387 /nfs/dbraw/zinc/79/93/87/947799387.db2.gz QACGJZGNLHCXRG-UHFFFAOYSA-N -2 3 293.275 1.630 20 0 CDADHL COc1ccc([O-])c(C(=O)Nc2ccnc(C(=O)[O-])c2)c1 ZINC000110964864 949219403 /nfs/dbraw/zinc/21/94/03/949219403.db2.gz DTYGFCTVSQEPRY-UHFFFAOYSA-N -2 3 288.259 1.746 20 0 CDADHL CCCN(CC(=O)[O-])C(=O)c1c([O-])cccc1OC ZINC000404652419 953379477 /nfs/dbraw/zinc/37/94/77/953379477.db2.gz RUZIOTZBCMUTHX-UHFFFAOYSA-N -2 3 267.281 1.338 20 0 CDADHL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC001589269492 953403280 /nfs/dbraw/zinc/40/32/80/953403280.db2.gz YNNRHOOKMMSRJW-KOLCDFICSA-N -2 3 295.310 1.643 20 0 CDADHL O=C([N-]OCC(F)(F)F)c1cc(=O)[n-]c(C2CC2)n1 ZINC001328542748 955334659 /nfs/dbraw/zinc/33/46/59/955334659.db2.gz OLERPUIFDJUBQU-UHFFFAOYSA-N -2 3 277.202 1.283 20 0 CDADHL CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001589219341 956755337 /nfs/dbraw/zinc/75/53/37/956755337.db2.gz YHOGFYOHRZHNRV-CQSZACIVSA-N -2 3 289.291 1.708 20 0 CDADHL C[C@H](CC(=O)[O-])CC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000095224549 958334325 /nfs/dbraw/zinc/33/43/25/958334325.db2.gz BILTYUYDADZSNR-QMMMGPOBSA-N -2 3 289.295 1.306 20 0 CDADHL C[C@H](CC(=O)[O-])CC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000095224549 958334337 /nfs/dbraw/zinc/33/43/37/958334337.db2.gz BILTYUYDADZSNR-QMMMGPOBSA-N -2 3 289.295 1.306 20 0 CDADHL Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@@H](C(=O)[O-])C(C)(C)C)C2 ZINC001594460365 959450011 /nfs/dbraw/zinc/45/00/11/959450011.db2.gz KTFNZQICASFTTH-JTQLQIEISA-N -2 3 293.323 1.080 20 0 CDADHL C[C@@H](NC(=O)[C@@H](C)CC(=O)[O-])c1nc(C(F)(F)F)n[n-]1 ZINC001592346380 977818631 /nfs/dbraw/zinc/81/86/31/977818631.db2.gz WPEZLGXAVVUKSV-CRCLSJGQSA-N -2 3 294.233 1.112 20 0 CDADHL CC(C)(CF)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC001590701120 990415671 /nfs/dbraw/zinc/41/56/71/990415671.db2.gz FEXGQLBOHGIAPU-UHFFFAOYSA-N -2 3 281.330 1.473 20 0 CDADHL C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-])C(F)F ZINC001593338811 994929937 /nfs/dbraw/zinc/92/99/37/994929937.db2.gz DOYNKLWOCDQWLR-RXMQYKEDSA-N -2 3 297.254 1.456 20 0 CDADHL CCCC[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)C(=O)[O-] ZINC001605242433 1163499651 /nfs/dbraw/zinc/49/96/51/1163499651.db2.gz JIZSQCZIFJCLOS-VIFPVBQESA-N -2 3 294.286 1.470 20 0 CDADHL Cc1ccc(C(=O)Nc2cnn(CC(=O)[O-])c2)c([O-])c1C ZINC001594347817 1174184456 /nfs/dbraw/zinc/18/44/56/1174184456.db2.gz YJJINSXGIHYNEA-UHFFFAOYSA-N -2 3 289.291 1.542 20 0 CDADHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccs1 ZINC000136734074 361860540 /nfs/dbraw/zinc/86/05/40/361860540.db2.gz HPHKNMVDKBJWTO-QMMMGPOBSA-N -2 3 291.394 1.916 20 0 CDADHL CSC[C@@H](C)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000596089891 343233831 /nfs/dbraw/zinc/23/38/31/343233831.db2.gz YZZHWKZXLNROOK-SSDOTTSWSA-N -2 3 293.366 1.316 20 0 CDADHL O=C([O-])[C@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000085321349 179015063 /nfs/dbraw/zinc/01/50/63/179015063.db2.gz WHVQOYHKHUCCQO-WCBMZHEXSA-N -2 3 265.265 1.081 20 0 CDADHL COc1ccc([O-])c(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)c1 ZINC000036980887 346343818 /nfs/dbraw/zinc/34/38/18/346343818.db2.gz AOOQHSVAMPCZHW-CQSZACIVSA-N -2 3 279.292 1.384 20 0 CDADHL CCC[C@@](C)(NC(=O)c1ccc2n[n-]nc2c1)C(=O)[O-] ZINC000036339120 356242175 /nfs/dbraw/zinc/24/21/75/356242175.db2.gz VMDBUYJXCBFQNF-CYBMUJFWSA-N -2 3 276.296 1.331 20 0 CDADHL O=C(c1ccc([O-])cc1F)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000163377302 538864633 /nfs/dbraw/zinc/86/46/33/538864633.db2.gz HFMWHEHSLQZDHN-MRVPVSSYSA-N -2 3 291.286 1.064 20 0 CDADHL O=C(c1ccc([O-])cc1F)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000163377302 538864637 /nfs/dbraw/zinc/86/46/37/538864637.db2.gz HFMWHEHSLQZDHN-MRVPVSSYSA-N -2 3 291.286 1.064 20 0 CDADHL O=C([O-])[C@H]1CCC[C@@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000634824240 359406099 /nfs/dbraw/zinc/40/60/99/359406099.db2.gz OLMCNNPHSLNHQX-IUCAKERBSA-N -2 3 267.256 1.971 20 0 CDADHL COc1ccc(C(=O)N[C@H](C)[C@H](C)C(=O)[O-])c([O-])c1 ZINC000132720332 361264124 /nfs/dbraw/zinc/26/41/24/361264124.db2.gz ZMWZFHNJJLLICN-JGVFFNPUSA-N -2 3 267.281 1.240 20 0 CDADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccsc2)c1 ZINC000436994623 361634324 /nfs/dbraw/zinc/63/43/24/361634324.db2.gz NUSPJYWUFIOBKA-UHFFFAOYSA-N -3 3 299.329 1.953 20 0 CDADHL Cc1ccc(C(=O)N2Cc3nc(C)[n-]c(=O)c3C2)c([O-])c1 ZINC000636285733 363928601 /nfs/dbraw/zinc/92/86/01/363928601.db2.gz KVSNBDKJVMYNCY-UHFFFAOYSA-N -2 3 285.303 1.661 20 0 CDADHL CC(C)(C[N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000167898853 364362807 /nfs/dbraw/zinc/36/28/07/364362807.db2.gz JJOSDDGPFLTICY-UHFFFAOYSA-N -2 3 263.340 1.137 20 0 CDADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CC=CCC2)cc1C(=O)[O-] ZINC000573362577 371516108 /nfs/dbraw/zinc/51/61/08/371516108.db2.gz IHVOIBMEGZFNCB-SECBINFHSA-N -2 3 285.321 1.673 20 0 CDADHL Cc1cccc(S(=O)(=O)[N-]CCCC(=O)[O-])c1F ZINC000262386443 131217207 /nfs/dbraw/zinc/21/72/07/131217207.db2.gz HUFDNOCUDBVDOB-UHFFFAOYSA-N -2 3 275.301 1.277 20 0 CDADHL Cn1ccnc1-c1cc(NC(=O)CCCCC(=O)[O-])n[n-]1 ZINC000656231513 413128232 /nfs/dbraw/zinc/12/82/32/413128232.db2.gz KMBVSHMVEINHRF-UHFFFAOYSA-N -2 3 291.311 1.394 20 0 CDADHL Cc1nc(=NC(=O)c2cc(-c3cccs3)[n-]n2)[n-]n1C ZINC000355814433 157250834 /nfs/dbraw/zinc/25/08/34/157250834.db2.gz UZSZTEULHNWQES-UHFFFAOYSA-N -2 3 288.336 1.249 20 0 CDADHL CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000020560644 171251727 /nfs/dbraw/zinc/25/17/27/171251727.db2.gz NATNPZRCAAFHEY-ZETCQYMHSA-N -2 3 277.367 1.913 20 0 CDADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000035390641 172174605 /nfs/dbraw/zinc/17/46/05/172174605.db2.gz AVZFWRRHZCHKDN-SNVBAGLBSA-N -2 3 289.328 1.603 20 0 CDADHL Cc1ccsc1S(=O)(=O)[N-][C@@](C)(CCF)C(=O)[O-] ZINC000656723007 413608640 /nfs/dbraw/zinc/60/86/40/413608640.db2.gz DMECBLCWANDBBE-JTQLQIEISA-N -2 3 295.357 1.538 20 0 CDADHL CC(C)(F)CC[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000656721831 413609482 /nfs/dbraw/zinc/60/94/82/413609482.db2.gz WWZHIMSYBAFJDJ-UHFFFAOYSA-N -2 3 296.345 1.258 20 0 CDADHL C[C@](NC(=O)c1ccc(O)cc1[O-])(C(=O)[O-])C1CC1 ZINC000037366372 173155407 /nfs/dbraw/zinc/15/54/07/173155407.db2.gz PMRXJHKHYXUJLU-CYBMUJFWSA-N -2 3 265.265 1.081 20 0 CDADHL O=P([O-])([O-])CCO[C@H](c1cccnc1)C1CC1 ZINC001224601236 1160779545 /nfs/dbraw/zinc/77/95/45/1160779545.db2.gz FIUCKPFGJQKNMZ-NSHDSACASA-N -2 3 257.226 1.727 20 0 CDADHL CO[C@H](C)c1nc(=NCc2cnc(C)[n-]c2=O)s[n-]1 ZINC000337867498 523908554 /nfs/dbraw/zinc/90/85/54/523908554.db2.gz LPPOGVWGTQFHPU-ZCFIWIBFSA-N -2 3 281.341 1.084 20 0 CDADHL Cc1[nH]nc(S(=O)(=O)[N-]C2CCC=CCC2)c1C(=O)[O-] ZINC001600673855 1174558237 /nfs/dbraw/zinc/55/82/37/1174558237.db2.gz WGNPOZWOEQJLNA-UHFFFAOYSA-N -2 3 299.352 1.193 20 0 CDADHL O=C([O-])COc1ccc(C=Cc2nccc(=O)[n-]2)cc1 ZINC000764436896 575907059 /nfs/dbraw/zinc/90/70/59/575907059.db2.gz XANXTDLOXWNSBC-UTCJRWHESA-N -2 3 272.260 1.816 20 0 CDADHL Cc1ccc(C(=O)NCCSCCC(=O)[O-])c([O-])c1C ZINC000738514882 576085402 /nfs/dbraw/zinc/08/54/02/576085402.db2.gz LKJUHHXNVKUXKT-UHFFFAOYSA-N -2 3 297.376 1.947 20 0 CDADHL O=C([O-])CNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000738610317 576095368 /nfs/dbraw/zinc/09/53/68/576095368.db2.gz PWKNWGZCSGDNDN-UHFFFAOYSA-N -2 3 285.299 1.797 20 0 CDADHL Nc1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])c([O-])c1 ZINC000763022976 576701221 /nfs/dbraw/zinc/70/12/21/576701221.db2.gz YDVVWELZHLCTOY-LLVKDONJSA-N -2 3 292.335 1.834 20 0 CDADHL O=C([O-])c1cccc(C(=O)Nc2ncccc2[O-])n1 ZINC001602434205 1175238009 /nfs/dbraw/zinc/23/80/09/1175238009.db2.gz BIWRKIGYRKCVNE-UHFFFAOYSA-N -2 3 259.221 1.133 20 0 CDADHL O=C([O-])c1ccccc1CSCCc1nnn[n-]1 ZINC001602470955 1175250524 /nfs/dbraw/zinc/25/05/24/1175250524.db2.gz RQWFBCYFPIYFQD-UHFFFAOYSA-N -2 3 264.310 1.374 20 0 CDADHL O=C([O-])c1ccccc1CSCCc1nn[n-]n1 ZINC001602470955 1175250529 /nfs/dbraw/zinc/25/05/29/1175250529.db2.gz RQWFBCYFPIYFQD-UHFFFAOYSA-N -2 3 264.310 1.374 20 0 CDADHL CC(C)([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C1CC1 ZINC000232528441 600762324 /nfs/dbraw/zinc/76/23/24/600762324.db2.gz ILWURUUUFWQKSC-UHFFFAOYSA-N -2 3 273.310 1.445 20 0 CDADHL Cc1cc(=O)[n-]c(CN2CCc3ccc(C(=O)[O-])cc3C2)n1 ZINC000833746909 604847428 /nfs/dbraw/zinc/84/74/28/604847428.db2.gz LMAGDEVGLOBTFX-UHFFFAOYSA-N -2 3 299.330 1.747 20 0 CDADHL C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccccc1[O-] ZINC000833622977 605158685 /nfs/dbraw/zinc/15/86/85/605158685.db2.gz CHYOWTXMFAUNRI-LLVKDONJSA-N -2 3 292.335 1.013 20 0 CDADHL COc1ccc([O-])c(C(=O)Nc2cncc(C(=O)[O-])c2)c1 ZINC000062946742 605167420 /nfs/dbraw/zinc/16/74/20/605167420.db2.gz ZVNTYMJWTRWAIZ-UHFFFAOYSA-N -2 3 288.259 1.746 20 0 CDADHL CC1(C)C[C@@]1(C)C[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000902989727 625734590 /nfs/dbraw/zinc/73/45/90/625734590.db2.gz LYTZMJJAWUHUJD-LBPRGKRZSA-N -2 3 287.337 1.692 20 0 CDADHL CO[C@@H](CS(=O)(=O)[N-]c1n[n-]c(C(F)F)n1)C(C)C ZINC000903150818 625876375 /nfs/dbraw/zinc/87/63/75/625876375.db2.gz XELQZJXACCXHMZ-LURJTMIESA-N -2 3 298.315 1.155 20 0 CDADHL O=C([O-])CCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000908670107 628325709 /nfs/dbraw/zinc/32/57/09/628325709.db2.gz CVLVQXZCDFZPNK-UHFFFAOYSA-N -2 3 269.272 1.445 20 0 CDADHL CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000909314766 628628407 /nfs/dbraw/zinc/62/84/07/628628407.db2.gz XEOVBXYGHXYREP-SECBINFHSA-N -2 3 293.319 1.920 20 0 CDADHL C[C@@H]1CN(C(=O)Cc2ccc([O-])c(F)c2)CC[C@@H]1C(=O)[O-] ZINC000909989329 628799255 /nfs/dbraw/zinc/79/92/55/628799255.db2.gz JMGQGNFFMIFPGR-KOLCDFICSA-N -2 3 295.310 1.643 20 0 CDADHL CCc1ccc([O-])c(C(=O)N2CCOC[C@H]2CC(=O)[O-])c1 ZINC001605821499 1163680842 /nfs/dbraw/zinc/68/08/42/1163680842.db2.gz JHXNCJWAQVBUEG-LLVKDONJSA-N -2 3 293.319 1.270 20 0 CDADHL O=C([N-]Oc1cccc(-c2nnn[n-]2)c1)C12CCC(CC1)C2 ZINC001606863820 1164020404 /nfs/dbraw/zinc/02/04/04/1164020404.db2.gz RQMNQNUJQPLZOT-UHFFFAOYSA-N -2 3 299.334 1.857 20 0 CDADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)C12CCC(CC1)C2 ZINC001606863820 1164020410 /nfs/dbraw/zinc/02/04/10/1164020410.db2.gz RQMNQNUJQPLZOT-UHFFFAOYSA-N -2 3 299.334 1.857 20 0 CDADHL O=C([O-])[C@@H](CF)[N-]S(=O)(=O)c1coc2ccccc21 ZINC001608532533 1164535584 /nfs/dbraw/zinc/53/55/84/1164535584.db2.gz FCDJASIOZQBURA-MRVPVSSYSA-N -2 3 287.268 1.134 20 0 CDADHL Cc1nc(NC(C)(C)CCC(=O)[O-])ccc1-c1nn[n-]n1 ZINC001609453089 1164956066 /nfs/dbraw/zinc/95/60/66/1164956066.db2.gz PEESZDUSCFKECA-UHFFFAOYSA-N -2 3 290.327 1.625 20 0 CDADHL C[C@H](C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1)n1cccc1 ZINC001589003240 1173118028 /nfs/dbraw/zinc/11/80/28/1173118028.db2.gz VBAASUNQYGUSRC-SNVBAGLBSA-N -2 3 298.306 1.339 20 0 CDADHL C[C@H](C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1)n1cccc1 ZINC001589003240 1173118033 /nfs/dbraw/zinc/11/80/33/1173118033.db2.gz VBAASUNQYGUSRC-SNVBAGLBSA-N -2 3 298.306 1.339 20 0 CDADHL C[C@@H](CNc1c(Cl)cccc1-c1nnn[n-]1)C(=O)[O-] ZINC001589876176 1173192177 /nfs/dbraw/zinc/19/21/77/1173192177.db2.gz PRTYITCXZUTRAZ-LURJTMIESA-N -2 3 281.703 1.653 20 0 CDADHL C[C@@H](CNc1c(Cl)cccc1-c1nn[n-]n1)C(=O)[O-] ZINC001589876176 1173192186 /nfs/dbraw/zinc/19/21/86/1173192186.db2.gz PRTYITCXZUTRAZ-LURJTMIESA-N -2 3 281.703 1.653 20 0 CDADHL Cc1cc(-c2nnn[n-]2)cc(N[C@@H](CC(C)C)C(=O)[O-])n1 ZINC001591860109 1173725292 /nfs/dbraw/zinc/72/52/92/1173725292.db2.gz XFSPVIQSLALBGJ-JTQLQIEISA-N -2 3 290.327 1.481 20 0 CDADHL Cc1cc(-c2nn[n-]n2)cc(N[C@@H](CC(C)C)C(=O)[O-])n1 ZINC001591860109 1173725295 /nfs/dbraw/zinc/72/52/95/1173725295.db2.gz XFSPVIQSLALBGJ-JTQLQIEISA-N -2 3 290.327 1.481 20 0 CDADHL O=C([O-])CCCNc1snc(Cl)c1-c1nnn[n-]1 ZINC001593278252 1174049807 /nfs/dbraw/zinc/04/98/07/1174049807.db2.gz WLBKLVNRHLTVHK-UHFFFAOYSA-N -2 3 288.720 1.253 20 0 CDADHL Cc1noc(C)c1[C@@H](C)CC(=O)[N-]OCCCC(=O)[O-] ZINC001600807680 1174621778 /nfs/dbraw/zinc/62/17/78/1174621778.db2.gz NPIUECRRLADQGW-QMMMGPOBSA-N -2 3 284.312 1.698 20 0 CDADHL O=C([O-])c1cccc(NC(=O)c2cccc3n[n-]nc32)c1 ZINC001602445743 1175243026 /nfs/dbraw/zinc/24/30/26/1175243026.db2.gz YCRNDGXFPRLKHL-UHFFFAOYSA-N -2 3 282.259 1.908 20 0 CDADHL O=C([O-])c1cncc(C(=O)Nc2cc(F)ccc2[O-])c1 ZINC001602536105 1175277972 /nfs/dbraw/zinc/27/79/72/1175277972.db2.gz JWRSNWHVZUOTLW-UHFFFAOYSA-N -2 3 276.223 1.877 20 0 CDADHL CC(C)(CF)[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001603613293 1175578888 /nfs/dbraw/zinc/57/88/88/1175578888.db2.gz XPENEVKETGLOCA-UHFFFAOYSA-N -2 3 293.291 1.550 20 0 CDADHL C[C@H](/C=C/C(=O)[O-])NC(=O)c1cc([O-])ccc1Cl ZINC001604059650 1175739006 /nfs/dbraw/zinc/73/90/06/1175739006.db2.gz NMIWRRKVSOWNKM-AJCRVFRXSA-N -2 3 269.684 1.805 20 0 CDADHL Cc1ccc([O-])c([N-]S(=O)(=O)C2CCOCC2)n1 ZINC000134777910 1175820460 /nfs/dbraw/zinc/82/04/60/1175820460.db2.gz KWNDTDRHKAAWJZ-UHFFFAOYSA-N -2 3 272.326 1.016 20 0 CDADHL CSc1ccc(S(=O)(=O)[N-][N-]C(C)=O)cc1Cl ZINC000186908191 712094782 /nfs/dbraw/zinc/09/47/82/712094782.db2.gz BNRIHKJEBZWXHT-UHFFFAOYSA-N -2 3 294.785 1.391 20 0 CDADHL COc1cccc(-c2noc([N-][C@H](C)C(=O)[O-])n2)c1 ZINC000841489913 712264652 /nfs/dbraw/zinc/26/46/52/712264652.db2.gz VMAQHDWMIQWJGQ-SSDOTTSWSA-N -2 3 263.253 1.630 20 0 CDADHL C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000716509307 712354643 /nfs/dbraw/zinc/35/46/43/712354643.db2.gz OPWCXZGSNLPBML-XFWSIPNHSA-N -2 3 299.348 1.548 20 0 CDADHL Cc1nc(C(C)C)[n-]c(=O)c1C(=O)[N-]OCCOC(C)C ZINC000795075026 712471163 /nfs/dbraw/zinc/47/11/63/712471163.db2.gz MRVUGBSWBZVJLI-UHFFFAOYSA-N -2 3 297.355 1.700 20 0 CDADHL CSCCO[N-]C(=O)Cc1cccc(C(=O)[O-])c1 ZINC001607400255 1164168458 /nfs/dbraw/zinc/16/84/58/1164168458.db2.gz QWYJALAYDQRVKL-UHFFFAOYSA-N -2 3 269.322 1.338 20 0 CDADHL O=C([O-])COc1ccccc1CN[C@H]1C=C[C@H](C(=O)[O-])C1 ZINC001608765638 1164630883 /nfs/dbraw/zinc/63/08/83/1164630883.db2.gz NRVLJOFDXCBBLN-JQWIXIFHSA-N -2 3 291.303 1.269 20 0 CDADHL CCc1ccc([O-])c(C(=O)N2CCC(O)(C(=O)[O-])CC2)c1 ZINC001610062838 1165199121 /nfs/dbraw/zinc/19/91/21/1165199121.db2.gz OLLVEDNIJYQSHZ-UHFFFAOYSA-N -2 3 293.319 1.006 20 0 CDADHL O=C([O-])C1(NC(=O)c2ccc(O)cc2[O-])CCSCC1 ZINC001610684332 1165406194 /nfs/dbraw/zinc/40/61/94/1165406194.db2.gz XMQBWQQSNASVNP-UHFFFAOYSA-N -2 3 297.332 1.178 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)Cc1ccc2c(c1)CCO2 ZINC001601995049 1167813269 /nfs/dbraw/zinc/81/32/69/1167813269.db2.gz KZHCASMXWHJZNR-UHFFFAOYSA-N -2 3 279.292 1.077 20 0 CDADHL Cc1nonc1C(=O)[N-]c1nc(C(=O)[O-])c(C(C)C)s1 ZINC001608031533 1167919684 /nfs/dbraw/zinc/91/96/84/1167919684.db2.gz WRLSYZRBXJLRQF-UHFFFAOYSA-N -2 3 296.308 1.908 20 0 CDADHL Cc1ccc(CC(=O)NCCCCP(=O)([O-])[O-])cn1 ZINC001177253818 914558068 /nfs/dbraw/zinc/55/80/68/914558068.db2.gz GRQXARWSFKOIRV-UHFFFAOYSA-N -2 3 286.268 1.007 20 0 CDADHL C[C@H](C(=O)NCCCCP(=O)([O-])[O-])c1cccnc1 ZINC001177795303 914935896 /nfs/dbraw/zinc/93/58/96/914935896.db2.gz AJOIKUDISKPDSD-JTQLQIEISA-N -2 3 286.268 1.259 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])C1(C2CC2)CC1 ZINC001183803836 918702529 /nfs/dbraw/zinc/70/25/29/918702529.db2.gz XVFRHRVPEYTGTF-UHFFFAOYSA-N -2 3 261.258 1.251 20 0 CDADHL COC(=O)c1cccc([O-])c1[N-]S(=O)(=O)CC1CCC1 ZINC001193516341 923762424 /nfs/dbraw/zinc/76/24/24/923762424.db2.gz VYLDBZHVPXUTNX-UHFFFAOYSA-N -2 3 299.348 1.721 20 0 CDADHL CC(C)[S@@](C)(=O)=NC(=O)c1ccc([O-])cc1[O-] ZINC000926056991 932962281 /nfs/dbraw/zinc/96/22/81/932962281.db2.gz QWZJJSCQTLHLFH-QGZVFWFLSA-N -2 3 257.311 1.744 20 0 CDADHL CC(C)N(C)S(=O)(=O)[N-]c1cc(C#N)ccc1[O-] ZINC000080941513 934724274 /nfs/dbraw/zinc/72/42/74/934724274.db2.gz SXNOINVILPZRBJ-UHFFFAOYSA-N -2 3 269.326 1.261 20 0 CDADHL COc1c(Nc2cc(=O)[n-]c(=S)[nH]2)cccc1C(=O)[O-] ZINC001211034072 940726661 /nfs/dbraw/zinc/72/66/61/940726661.db2.gz SJCLRCFMYALJBY-UHFFFAOYSA-N -2 3 293.304 1.921 20 0 CDADHL CCOC(=O)[C@@H]1CCC[C@@H]1OCCCCP(=O)([O-])[O-] ZINC001225018999 941814569 /nfs/dbraw/zinc/81/45/69/941814569.db2.gz NYHJVTZAKKVTJS-MNOVXSKESA-N -2 3 294.284 1.693 20 0 CDADHL C[C@@H](Oc1nc2ncnc-2c([S-])[n-]1)c1cnccn1 ZINC001226786342 942071215 /nfs/dbraw/zinc/07/12/15/942071215.db2.gz PTHRTSPMKNLNSR-ZCFIWIBFSA-N -2 3 274.309 1.572 20 0 CDADHL O=c1nc2nc(Br)[n-]c2c(OC2CC2)[n-]1 ZINC001227598096 942192851 /nfs/dbraw/zinc/19/28/51/942192851.db2.gz UKVPBDGQSQOXRO-UHFFFAOYSA-N -2 3 271.074 1.362 20 0 CDADHL O=S(=O)([O-])c1cccc(-c2cc([O-])cc(F)c2)n1 ZINC001241262114 946203390 /nfs/dbraw/zinc/20/33/90/946203390.db2.gz JQFHYALMYUMNEG-UHFFFAOYSA-N -2 3 269.253 1.840 20 0 CDADHL COc1cccc(C(=O)Nc2cc(C(=O)[O-])n[nH]2)c1[O-] ZINC000080670305 949011970 /nfs/dbraw/zinc/01/19/70/949011970.db2.gz OCJXBLHVBVTLPD-UHFFFAOYSA-N -2 3 277.236 1.074 20 0 CDADHL COc1ccc(C(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)c([O-])c1 ZINC000379158579 971607175 /nfs/dbraw/zinc/60/71/75/971607175.db2.gz XMJSQCUWKSVGFX-ZJUUUORDSA-N -2 3 293.319 1.774 20 0 CDADHL O=C([O-])/C=C\c1cc(C(=O)Nc2ncccc2[O-])co1 ZINC001594972564 950873303 /nfs/dbraw/zinc/87/33/03/950873303.db2.gz XAVRKPRXLKZXCA-ARJAWSKDSA-N -2 3 274.232 1.730 20 0 CDADHL CC(C)C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC001603036313 972096632 /nfs/dbraw/zinc/09/66/32/972096632.db2.gz FAVWTMMKSSKLCD-LLVKDONJSA-N -2 3 283.299 1.689 20 0 CDADHL C[C@H](CN(C)Cc1ccc([O-])c(F)c1F)C(=O)[O-] ZINC001589034230 955549379 /nfs/dbraw/zinc/54/93/79/955549379.db2.gz UNWZYDFVQFNDGZ-SSDOTTSWSA-N -2 3 259.252 1.823 20 0 CDADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)C(F)F ZINC000389658501 972237193 /nfs/dbraw/zinc/23/71/93/972237193.db2.gz COHISVBZAQKSQK-BYPYZUCNSA-N -2 3 283.252 1.218 20 0 CDADHL CC[C@@](C)(NC(=O)c1ccc(O)cc1[O-])C(=O)[O-] ZINC000094219743 958265809 /nfs/dbraw/zinc/26/58/09/958265809.db2.gz SMGWFXIFLVNWKR-GFCCVEGCSA-N -2 3 253.254 1.081 20 0 CDADHL CCC(CC)(NC(=O)c1ccc(O)cc1[O-])C(=O)[O-] ZINC000094240049 958276761 /nfs/dbraw/zinc/27/67/61/958276761.db2.gz IIQIRPXPXCKZDL-UHFFFAOYSA-N -2 3 267.281 1.471 20 0 CDADHL C[C@@H](CC(=O)[O-])C(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001571041347 960582905 /nfs/dbraw/zinc/58/29/05/960582905.db2.gz MXFPUZRSRBOJES-ZETCQYMHSA-N -2 3 291.307 1.013 20 0 CDADHL CC(C)[C@H](CO)O[N-]C(=O)/C=C/c1ccc(C(=O)[O-])o1 ZINC001588833437 961734858 /nfs/dbraw/zinc/73/48/58/961734858.db2.gz MCNMJLGSFFVTSL-MALLOTDXSA-N -2 3 283.280 1.056 20 0 CDADHL CC(=O)c1cnc([N-]C(=O)c2cc(C(=O)[O-])no2)s1 ZINC001573397386 963130650 /nfs/dbraw/zinc/13/06/50/963130650.db2.gz LPTSXHVFLURPAB-UHFFFAOYSA-N -2 3 281.249 1.284 20 0 CDADHL O=C([O-])c1cncc(NC(=O)c2cccc3n[n-]nc32)c1 ZINC001606544944 970307368 /nfs/dbraw/zinc/30/73/68/970307368.db2.gz JCWMGHYFFOMRPR-UHFFFAOYSA-N -2 3 283.247 1.303 20 0 CDADHL C[C@@H](C(=O)[O-])c1noc(-c2cc3c(cc2[O-])OCO3)n1 ZINC001609717776 970492932 /nfs/dbraw/zinc/49/29/32/970492932.db2.gz DZLBTWWRQYDAQX-RXMQYKEDSA-N -2 3 278.220 1.359 20 0 CDADHL Cc1cccc([O-])c1C(=O)N[C@H](CC(F)(F)F)C(=O)[O-] ZINC000706570807 977355210 /nfs/dbraw/zinc/35/52/10/977355210.db2.gz CWLMIOGSHNGBOS-SSDOTTSWSA-N -2 3 291.225 1.836 20 0 CDADHL C[C@H](OC(=O)c1ccc([O-])cc1)C(=O)C(C)(C)C(=O)[O-] ZINC001604413088 1163180350 /nfs/dbraw/zinc/18/03/50/1163180350.db2.gz CNFZZPGPVSZWRG-QMMMGPOBSA-N -2 3 280.276 1.617 20 0 CDADHL CC[C@H]1C[C@H](CC(=O)[N-]OCCCC(=O)[O-])CCO1 ZINC001595412322 981010429 /nfs/dbraw/zinc/01/04/29/981010429.db2.gz CLOIYPQFTAMUGB-MNOVXSKESA-N -2 3 273.329 1.494 20 0 CDADHL CC[C@@H](C(=O)[O-])C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC001594764090 981704488 /nfs/dbraw/zinc/70/44/88/981704488.db2.gz JQTFWTFWRUIQOI-VIFPVBQESA-N -2 3 280.280 1.214 20 0 CDADHL C/C(=C/CN1Cc2nc(C3CC3)[n-]c(=O)c2C1)C(=O)[O-] ZINC001588961274 984737252 /nfs/dbraw/zinc/73/72/52/984737252.db2.gz NXFYMXRKZJJRAW-YWEYNIOJSA-N -2 3 275.308 1.406 20 0 CDADHL C/C(=C/CNC(=O)NCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC001588975020 984819567 /nfs/dbraw/zinc/81/95/67/984819567.db2.gz VYSHHKUOABPXQO-YWEYNIOJSA-N -2 3 282.271 1.361 20 0 CDADHL COC(=O)c1cc(C(=O)[N-]c2sccc2C(=O)[O-])on1 ZINC001598920971 997563019 /nfs/dbraw/zinc/56/30/19/997563019.db2.gz QQWYZCTVJANAPL-UHFFFAOYSA-N -2 3 296.260 1.473 20 0 CDADHL CCCN(C(=O)c1ccc(O)cc1[O-])[C@H](C)C(=O)[O-] ZINC001573747782 1170754913 /nfs/dbraw/zinc/75/49/13/1170754913.db2.gz BYSTVRLSSQLDDH-MRVPVSSYSA-N -2 3 267.281 1.423 20 0 CDADHL Cc1[nH]nc(S(=O)(=O)[N-]C2(C3CC3)CCC2)c1C(=O)[O-] ZINC001574182252 1170909065 /nfs/dbraw/zinc/90/90/65/1170909065.db2.gz LOLKPKFNHUVBSQ-UHFFFAOYSA-N -2 3 299.352 1.027 20 0 CDADHL O=C([O-])[C@@H]1COCCN1Cc1cc([O-])ccc1Cl ZINC000629486579 362099907 /nfs/dbraw/zinc/09/99/07/362099907.db2.gz CEZXCTIRSAWGBE-NSHDSACASA-N -2 3 271.700 1.331 20 0 CDADHL O=C(c1cc(F)ccc1[O-])N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000537122789 282351256 /nfs/dbraw/zinc/35/12/56/282351256.db2.gz OQWFYQJVSLHSLG-MRVPVSSYSA-N -2 3 291.286 1.064 20 0 CDADHL O=C(c1cc(F)ccc1[O-])N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000537122789 282351259 /nfs/dbraw/zinc/35/12/59/282351259.db2.gz OQWFYQJVSLHSLG-MRVPVSSYSA-N -2 3 291.286 1.064 20 0 CDADHL O=C(CSCCc1nnn[n-]1)c1ccc([O-])cc1 ZINC000603340668 344772769 /nfs/dbraw/zinc/77/27/69/344772769.db2.gz XOWSATMLDOAMMX-UHFFFAOYSA-N -2 3 264.310 1.064 20 0 CDADHL O=C(CSCCc1nn[n-]n1)c1ccc([O-])cc1 ZINC000603340668 344772770 /nfs/dbraw/zinc/77/27/70/344772770.db2.gz XOWSATMLDOAMMX-UHFFFAOYSA-N -2 3 264.310 1.064 20 0 CDADHL COc1ccc(C(=O)N[C@@H](CC(F)F)C(=O)[O-])c([O-])c1 ZINC000312637655 365939638 /nfs/dbraw/zinc/93/96/38/365939638.db2.gz JEDZSADCGWVKAT-QMMMGPOBSA-N -2 3 289.234 1.239 20 0 CDADHL CCC[C@@H](C[N-]S(=O)(=O)c1c(C)noc1C)C(=O)[O-] ZINC000087501552 349247784 /nfs/dbraw/zinc/24/77/84/349247784.db2.gz VWDMZTUUKMXCRP-VIFPVBQESA-N -2 3 290.341 1.071 20 0 CDADHL CC[C@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000092114011 180327363 /nfs/dbraw/zinc/32/73/63/180327363.db2.gz MYZOJDHHYPYRTQ-ZETCQYMHSA-N -2 3 275.301 1.601 20 0 CDADHL CCC[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000036838138 356440253 /nfs/dbraw/zinc/44/02/53/356440253.db2.gz OLKOWUZXDPJLJS-ZETCQYMHSA-N -2 3 263.340 1.280 20 0 CDADHL CCc1c(C(C)C)[n-]n(-c2nnc(C)c(=O)[n-]2)c1=O ZINC000634586823 356465862 /nfs/dbraw/zinc/46/58/62/356465862.db2.gz XOUNOQCFQGTXLO-MRVPVSSYSA-N -2 3 263.301 1.270 20 0 CDADHL CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1ccco1 ZINC000572400008 359304931 /nfs/dbraw/zinc/30/49/31/359304931.db2.gz LJCDHZMMGFUDDA-UHFFFAOYSA-N -2 3 275.326 1.591 20 0 CDADHL CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000634824519 359412413 /nfs/dbraw/zinc/41/24/13/359412413.db2.gz WIUUEHUKYVVRKV-UWVGGRQHSA-N -2 3 267.256 1.827 20 0 CDADHL O=C(N=c1[n-]nc(C(F)F)s1)c1cc(C(F)F)[n-]n1 ZINC000639580680 364151575 /nfs/dbraw/zinc/15/15/75/364151575.db2.gz PBCFPENLFPTEAY-UHFFFAOYSA-N -2 3 295.221 1.811 20 0 CDADHL Cc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)c([O-])c1 ZINC000092915972 378032321 /nfs/dbraw/zinc/03/23/21/378032321.db2.gz KDFDRVFFNCQTDZ-VHSXEESVSA-N -2 3 263.293 1.636 20 0 CDADHL Cc1csc(S(=O)(=O)[N-][C@](C)(C(=O)[O-])C2CC2)c1 ZINC000519775289 391708283 /nfs/dbraw/zinc/70/82/83/391708283.db2.gz ZRMISLVCEWZRHE-NSHDSACASA-N -2 3 289.378 1.588 20 0 CDADHL CC(=O)c1ccc(C(=O)NC[C@H](C(=O)[O-])C(C)C)cc1[O-] ZINC000656231274 413128543 /nfs/dbraw/zinc/12/85/43/413128543.db2.gz DVXNWBVEQKRIMJ-LBPRGKRZSA-N -2 3 293.319 1.681 20 0 CDADHL C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2cccs2)CC1 ZINC000650425227 397924787 /nfs/dbraw/zinc/92/47/87/397924787.db2.gz AGVIYBHZQNVBOR-ZETCQYMHSA-N -2 3 275.351 1.280 20 0 CDADHL O=C([O-])C1CCC([N-]S(=O)(=O)c2ccco2)CC1 ZINC000262377586 149054601 /nfs/dbraw/zinc/05/46/01/149054601.db2.gz NHGYJCFMXHGQLG-UHFFFAOYSA-N -2 3 273.310 1.201 20 0 CDADHL Cc1ccc(C(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)c([O-])c1 ZINC000262808349 149116051 /nfs/dbraw/zinc/11/60/51/149116051.db2.gz NTWMAVGGERBULJ-ZWNOBZJWSA-N -2 3 293.319 1.310 20 0 CDADHL O=C([O-])[C@@H](NC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000021955492 171341363 /nfs/dbraw/zinc/34/13/63/171341363.db2.gz QJSBBWHMEIIGLI-ZDUSSCGKSA-N -2 3 271.272 1.948 20 0 CDADHL COc1cccc(C(=O)NC2CCC(C(=O)[O-])CC2)c1[O-] ZINC000037561324 173271874 /nfs/dbraw/zinc/27/18/74/173271874.db2.gz KNGCBCRZRNWROS-UHFFFAOYSA-N -2 3 293.319 1.774 20 0 CDADHL CCN(CCC(=O)[O-])C(=O)c1cccc(OC)c1[O-] ZINC000038023325 174004958 /nfs/dbraw/zinc/00/49/58/174004958.db2.gz XNBKBYFACYZMJK-UHFFFAOYSA-N -2 3 267.281 1.338 20 0 CDADHL CCc1cc(=O)[n-]c(CN(C[C@H](C)C(=O)[O-])C2CC2)n1 ZINC000518201411 260355708 /nfs/dbraw/zinc/35/57/08/260355708.db2.gz YSXPLCUGWVHHMZ-VIFPVBQESA-N -2 3 279.340 1.430 20 0 CDADHL C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1)C(=O)[O-] ZINC000653492505 424050296 /nfs/dbraw/zinc/05/02/96/424050296.db2.gz PFMVKPAGLJBBOO-ZCFIWIBFSA-N -2 3 295.719 1.478 20 0 CDADHL CC1(c2nc(=NC(=O)c3cc(=O)cc(O)[n-]3)s[n-]2)CC1 ZINC000529699175 271015179 /nfs/dbraw/zinc/01/51/79/271015179.db2.gz ZUHSLNMNERREET-UHFFFAOYSA-N -2 3 292.320 1.070 20 0 CDADHL CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1cscn1 ZINC000520812633 281055165 /nfs/dbraw/zinc/05/51/65/281055165.db2.gz BMYBDJQFOZIVIO-UHFFFAOYSA-N -2 3 278.355 1.065 20 0 CDADHL CC(=O)c1cccc([N-]S(=O)(=O)C[C@@H]2CCCO2)c1[O-] ZINC000555879708 290243861 /nfs/dbraw/zinc/24/38/61/290243861.db2.gz RYZBFIZUCDCMRJ-JTQLQIEISA-N -2 3 299.348 1.516 20 0 CDADHL C[C@@H]1CCN(C(=O)c2ccc3n[n-]nc3c2)C[C@H]1C(=O)[O-] ZINC000569122449 294162956 /nfs/dbraw/zinc/16/29/56/294162956.db2.gz MSPDLCUTDUUHFA-PSASIEDQSA-N -2 3 288.307 1.141 20 0 CDADHL CCC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000579226630 324132768 /nfs/dbraw/zinc/13/27/68/324132768.db2.gz WRSAWIPBBVPCRR-UHFFFAOYSA-N -2 3 273.310 1.446 20 0 CDADHL Cc1cccc(C[C@@H](C[N-]C(=O)C(F)(F)F)C(=O)[O-])c1 ZINC000738698831 576103450 /nfs/dbraw/zinc/10/34/50/576103450.db2.gz XRVDJXURZMVZJK-JTQLQIEISA-N -2 3 289.253 1.917 20 0 CDADHL CC(C)CO[N-]C(=O)CC(C)CC(=O)[N-]OCC(C)C ZINC000768098496 576256705 /nfs/dbraw/zinc/25/67/05/576256705.db2.gz QACFYCSKLIMWNK-UHFFFAOYSA-N -2 3 288.388 1.810 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)C[C@@H]1CCC2(CCC2)CO1 ZINC001601995273 1175103601 /nfs/dbraw/zinc/10/36/01/1175103601.db2.gz NOOKMQXIPUYCMP-NSHDSACASA-N -2 3 285.340 1.638 20 0 CDADHL O=C([O-])CN1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000833249733 601431351 /nfs/dbraw/zinc/43/13/51/601431351.db2.gz KLJQWRLXCZEMLJ-MNOVXSKESA-N -2 3 255.314 1.426 20 0 CDADHL O=C([O-])c1cc(C(=O)Nc2ncccc2[O-])ccn1 ZINC000833162379 601248422 /nfs/dbraw/zinc/24/84/22/601248422.db2.gz LFURHQGSBYIMKI-UHFFFAOYSA-N -2 3 259.221 1.133 20 0 CDADHL CC(C)(CNC(=O)c1cc(=O)c2ccccc2[n-]1)C(=O)[O-] ZINC000164848455 601709095 /nfs/dbraw/zinc/70/90/95/601709095.db2.gz RJUCJPZQWWGVQT-UHFFFAOYSA-N -2 3 288.303 1.369 20 0 CDADHL Cc1cc(=O)[n-]c(CN2CCC3(C[C@H]3C(=O)[O-])CC2)n1 ZINC000700431766 602313220 /nfs/dbraw/zinc/31/32/20/602313220.db2.gz OEXXRZMTRPQJAJ-JTQLQIEISA-N -2 3 277.324 1.177 20 0 CDADHL CC[C@@H](OC(=O)c1cc(-c2ccc(C)o2)[n-]n1)C(=O)[O-] ZINC000833644767 605011802 /nfs/dbraw/zinc/01/18/02/605011802.db2.gz DXKJHPRCMFEPQR-SNVBAGLBSA-N -2 3 278.264 1.998 20 0 CDADHL CC[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909123306 628523166 /nfs/dbraw/zinc/52/31/66/628523166.db2.gz QQJURPYURKBODY-SECBINFHSA-N -2 3 255.245 1.053 20 0 CDADHL Cc1cc(=O)[n-]c(CNC(=O)c2ccccc2C(=O)[O-])n1 ZINC001607561458 1164225463 /nfs/dbraw/zinc/22/54/63/1164225463.db2.gz ZBKMHNIFNXZBFT-UHFFFAOYSA-N -2 3 287.275 1.119 20 0 CDADHL Cn1nc(C(=O)[O-])cc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC001608143661 1164423685 /nfs/dbraw/zinc/42/36/85/1164423685.db2.gz WDIFZGJOEPVIGW-UHFFFAOYSA-N -2 3 293.254 1.144 20 0 CDADHL O=C([O-])C[C@@H](CNC(=O)c1cccc2n[n-]nc21)C1CC1 ZINC001608667653 1164596637 /nfs/dbraw/zinc/59/66/37/1164596637.db2.gz OGZGMVIRSZUQCY-VIFPVBQESA-N -2 3 288.307 1.189 20 0 CDADHL O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC001608770965 1164632738 /nfs/dbraw/zinc/63/27/38/1164632738.db2.gz IQJMDYRNIYXYKJ-CMPLNLGQSA-N -2 3 295.310 1.833 20 0 CDADHL O=C([O-])c1csc(CSCCc2nnn[n-]2)c1 ZINC001608992954 1164713280 /nfs/dbraw/zinc/71/32/80/1164713280.db2.gz WEVGIBDXMVFLHV-UHFFFAOYSA-N -2 3 270.339 1.435 20 0 CDADHL O=C([O-])c1csc(CSCCc2nn[n-]n2)c1 ZINC001608992954 1164713286 /nfs/dbraw/zinc/71/32/86/1164713286.db2.gz WEVGIBDXMVFLHV-UHFFFAOYSA-N -2 3 270.339 1.435 20 0 CDADHL O=C([O-])CNc1c(Cl)cccc1-c1nnn[n-]1 ZINC001609572222 1164991682 /nfs/dbraw/zinc/99/16/82/1164991682.db2.gz KXZSIDAPDOXQJK-UHFFFAOYSA-N -2 3 253.649 1.017 20 0 CDADHL O=C([O-])CNc1c(Cl)cccc1-c1nn[n-]n1 ZINC001609572222 1164991686 /nfs/dbraw/zinc/99/16/86/1164991686.db2.gz KXZSIDAPDOXQJK-UHFFFAOYSA-N -2 3 253.649 1.017 20 0 CDADHL O=C([O-])CC[C@H](NCc1c(F)cccc1F)C(=O)[O-] ZINC001646235161 1167717078 /nfs/dbraw/zinc/71/70/78/1167717078.db2.gz YQLMKPDSPVMANW-JTQLQIEISA-N -2 3 273.235 1.372 20 0 CDADHL CC[C@H](C)c1cc(=O)n(-c2ccc(-c3nnn[n-]3)cn2)[n-]1 ZINC001590401416 1173392048 /nfs/dbraw/zinc/39/20/48/1173392048.db2.gz FTFACNXVWKDDKK-QMMMGPOBSA-N -2 3 285.311 1.401 20 0 CDADHL CC[C@H](C)c1cc(=O)n(-c2ccc(-c3nn[n-]n3)cn2)[n-]1 ZINC001590401416 1173392054 /nfs/dbraw/zinc/39/20/54/1173392054.db2.gz FTFACNXVWKDDKK-QMMMGPOBSA-N -2 3 285.311 1.401 20 0 CDADHL Cc1nc(N[C@H]2CC=C(C(=O)[O-])C2)ccc1-c1nn[n-]n1 ZINC001592382254 1173876233 /nfs/dbraw/zinc/87/62/33/1173876233.db2.gz LABCALQLYQGQNX-VIFPVBQESA-N -2 3 286.295 1.155 20 0 CDADHL O=C([O-])[C@H](CNc1ncccc1-c1nnn[n-]1)C1CCC1 ZINC001593276600 1174045295 /nfs/dbraw/zinc/04/52/95/1174045295.db2.gz PMLXJDAQJXQTGY-SNVBAGLBSA-N -2 3 288.311 1.175 20 0 CDADHL O=C([O-])[C@H](CNc1ncccc1-c1nn[n-]n1)C1CCC1 ZINC001593276600 1174045301 /nfs/dbraw/zinc/04/53/01/1174045301.db2.gz PMLXJDAQJXQTGY-SNVBAGLBSA-N -2 3 288.311 1.175 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]Cc2ccoc2C(=O)[O-])o1 ZINC001600482590 1174488175 /nfs/dbraw/zinc/48/81/75/1174488175.db2.gz JLLZOQQUOFOOPP-UHFFFAOYSA-N -2 3 285.277 1.358 20 0 CDADHL Cc1oc(CN2Cc3nc(C)[n-]c(=O)c3C2)cc1C(=O)[O-] ZINC001600719544 1174579953 /nfs/dbraw/zinc/57/99/53/1174579953.db2.gz XHPIOFZVRQEESW-UHFFFAOYSA-N -2 3 289.291 1.606 20 0 CDADHL Nc1ccc(C(=O)N[C@H](C(=O)[O-])C2CCCCC2)c([O-])c1 ZINC001601214228 1174792973 /nfs/dbraw/zinc/79/29/73/1174792973.db2.gz HQOZKTZJXWBHNZ-ZDUSSCGKSA-N -2 3 292.335 1.738 20 0 CDADHL O=C([O-])c1ccccc1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC001602463822 1175248278 /nfs/dbraw/zinc/24/82/78/1175248278.db2.gz RWRFUYBUCANEGO-UHFFFAOYSA-N -2 3 299.286 1.079 20 0 CDADHL CC(C)[C@@H](CNc1ncccc1-c1nnn[n-]1)C(=O)[O-] ZINC001603223149 1175518173 /nfs/dbraw/zinc/51/81/73/1175518173.db2.gz KTILVBGNOHTLBY-SECBINFHSA-N -2 3 276.300 1.030 20 0 CDADHL CC(C)[C@@H](CNc1ncccc1-c1nn[n-]n1)C(=O)[O-] ZINC001603223149 1175518177 /nfs/dbraw/zinc/51/81/77/1175518177.db2.gz KTILVBGNOHTLBY-SECBINFHSA-N -2 3 276.300 1.030 20 0 CDADHL C[C@@H](CN(C)c1cccc(Cl)c1-c1nnn[n-]1)C(=O)[O-] ZINC001603512258 1175560815 /nfs/dbraw/zinc/56/08/15/1175560815.db2.gz QMZYUTYHQSNEKE-ZETCQYMHSA-N -2 3 295.730 1.677 20 0 CDADHL C[C@@H](CN(C)c1cccc(Cl)c1-c1nn[n-]n1)C(=O)[O-] ZINC001603512258 1175560822 /nfs/dbraw/zinc/56/08/22/1175560822.db2.gz QMZYUTYHQSNEKE-ZETCQYMHSA-N -2 3 295.730 1.677 20 0 CDADHL CC(C)Oc1cccc(CC(=O)[N-]OCCCC(=O)[O-])c1 ZINC001603951186 1175697026 /nfs/dbraw/zinc/69/70/26/1175697026.db2.gz RWPBEZNYCJZMDA-UHFFFAOYSA-N -2 3 295.335 1.929 20 0 CDADHL CSc1ccc([O-])c(C(=O)N[C@@H](C(=O)[O-])C2CC2)c1 ZINC001607410292 1167910979 /nfs/dbraw/zinc/91/09/79/1167910979.db2.gz UYWQNHUIDDKAQP-LLVKDONJSA-N -2 3 281.333 1.707 20 0 CDADHL Cc1noc([N-]c2c(F)cc(F)c([O-])c2F)c1C(N)=O ZINC001176663956 914203508 /nfs/dbraw/zinc/20/35/08/914203508.db2.gz PKERNVQLDUIJDX-UHFFFAOYSA-N -2 3 287.197 1.948 20 0 CDADHL O=C([O-])c1cc(C(=O)NCc2ccc([O-])c(F)c2)ccn1 ZINC000833145793 936618976 /nfs/dbraw/zinc/61/89/76/936618976.db2.gz ZVIFGGNHAFIYIF-UHFFFAOYSA-N -2 3 290.250 1.555 20 0 CDADHL O=C([O-])CCC[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000386173443 936629517 /nfs/dbraw/zinc/62/95/17/936629517.db2.gz SKCWTIZLVJATNV-UHFFFAOYSA-N -2 3 296.707 1.017 20 0 CDADHL CC[C@@H](C)COC(=O)NCCCCP(=O)([O-])[O-] ZINC001194825762 924360360 /nfs/dbraw/zinc/36/03/60/924360360.db2.gz GIJSUZJFCKSSMF-SECBINFHSA-N -2 3 267.262 1.717 20 0 CDADHL Cc1ccc([O-])c([N-]S(=O)(=O)C(F)(F)F)n1 ZINC001252282117 927289420 /nfs/dbraw/zinc/28/94/20/927289420.db2.gz LOFDFHDEJXYRTH-UHFFFAOYSA-N -2 3 256.205 1.357 20 0 CDADHL CCN(C(=O)c1nnc2ccccc2c1[O-])[C@@H](C)C(=O)[O-] ZINC000851696831 927604862 /nfs/dbraw/zinc/60/48/62/927604862.db2.gz XNWUXVLZMWNUBB-QMMMGPOBSA-N -2 3 289.291 1.271 20 0 CDADHL Cc1cccc([O-])c1C(=O)NCCc1n[n-]c(=S)o1 ZINC000860922824 929218304 /nfs/dbraw/zinc/21/83/04/929218304.db2.gz YVTDTGOTPPDSHE-UHFFFAOYSA-N -2 3 279.321 1.345 20 0 CDADHL C[C@@H](CC[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000129228378 929898176 /nfs/dbraw/zinc/89/81/76/929898176.db2.gz FNXVCZKAVDZQBT-LURJTMIESA-N -2 3 297.785 1.791 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1nc2ccccc2o1 ZINC001153587185 937454287 /nfs/dbraw/zinc/45/42/87/937454287.db2.gz UCAPMIBWASHGNB-UHFFFAOYSA-N -2 3 298.235 1.516 20 0 CDADHL C[C@@H](NC(=O)c1nnc2ccccc2c1[O-])[C@@H](C)C(=O)[O-] ZINC000823333659 931292970 /nfs/dbraw/zinc/29/29/70/931292970.db2.gz JHKRMYDYTXXZCS-HTQZYQBOSA-N -2 3 289.291 1.174 20 0 CDADHL O=c1oc2cc([O-])ccc2cc1[N-]S(=O)(=O)C(F)F ZINC001259951283 936018440 /nfs/dbraw/zinc/01/84/40/936018440.db2.gz QJMVGZINVSNGPH-UHFFFAOYSA-N -2 3 291.231 1.463 20 0 CDADHL O=C1[N-]C(=O)[C@@H](Nc2[n-]c(=O)c(Cl)cc2Cl)S1 ZINC001163662434 939299499 /nfs/dbraw/zinc/29/94/99/939299499.db2.gz NTJBSOSYFKBADR-ZETCQYMHSA-N -2 3 294.119 1.815 20 0 CDADHL O=P([O-])([O-])CCCCOC1CCSCC1 ZINC001225022756 941815779 /nfs/dbraw/zinc/81/57/79/941815779.db2.gz RPOYCSAFEQVRHM-UHFFFAOYSA-N -2 3 254.288 1.857 20 0 CDADHL CC(C)Oc1cc(COc2nc(=O)[n-]c(=O)[n-]2)ccn1 ZINC001227569686 942190204 /nfs/dbraw/zinc/19/02/04/942190204.db2.gz DYOLIFKYQWGAAU-UHFFFAOYSA-N -2 3 278.268 1.044 20 0 CDADHL O=c1nc(O[C@H]2C[C@H](OCc3ccccc3)C2)[n-]c(=O)[n-]1 ZINC001227570474 942191305 /nfs/dbraw/zinc/19/13/05/942191305.db2.gz LIJTYBOGUADDPL-XYPYZODXSA-N -2 3 289.291 1.409 20 0 CDADHL CCCC(=O)[C@H](CCC)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233939534 943695569 /nfs/dbraw/zinc/69/55/69/943695569.db2.gz KYEIYXJJGAZORF-JTQLQIEISA-N -2 3 278.312 1.563 20 0 CDADHL O=C([O-])c1cnc(C(=O)Nc2c([O-])cccc2Cl)cn1 ZINC001595266069 949749336 /nfs/dbraw/zinc/74/93/36/949749336.db2.gz DFIFLGNQANTFMH-UHFFFAOYSA-N -2 3 293.666 1.786 20 0 CDADHL CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2c([O-])cccc2O)C1 ZINC000232429239 949770351 /nfs/dbraw/zinc/77/03/51/949770351.db2.gz SPIVMPVXPPQHBQ-OAHLLOKOSA-N -2 3 293.319 1.815 20 0 CDADHL O=C([N-]N1CCOC1=O)c1ncc2ccccc2c1[O-] ZINC001363483507 972198291 /nfs/dbraw/zinc/19/82/91/972198291.db2.gz RLQRKRMRZCYDHZ-UHFFFAOYSA-N -2 3 273.248 1.037 20 0 CDADHL C[C@@H](CC(=O)[O-])CC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000095224550 958334543 /nfs/dbraw/zinc/33/45/43/958334543.db2.gz BILTYUYDADZSNR-MRVPVSSYSA-N -2 3 289.295 1.306 20 0 CDADHL C[C@@H](CC(=O)[O-])CC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000095224550 958334554 /nfs/dbraw/zinc/33/45/54/958334554.db2.gz BILTYUYDADZSNR-MRVPVSSYSA-N -2 3 289.295 1.306 20 0 CDADHL CC(=O)c1ccc(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])cc1[O-] ZINC001573359880 958588385 /nfs/dbraw/zinc/58/83/85/958588385.db2.gz LMZXNMSWGIHVCG-NEPJUHHUSA-N -2 3 291.303 1.578 20 0 CDADHL Cc1nsc([N-]C(=O)c2ccc(C(=O)[O-])o2)n1 ZINC000128557482 958666944 /nfs/dbraw/zinc/66/69/44/958666944.db2.gz PUZLZIDRJRPIEK-UHFFFAOYSA-N -2 3 253.239 1.390 20 0 CDADHL CC(=O)c1ccc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cc1[O-] ZINC001588528180 958882264 /nfs/dbraw/zinc/88/22/64/958882264.db2.gz DITVJAHFFRALAT-AOOOYVTPSA-N -2 3 277.276 1.188 20 0 CDADHL CCOc1nc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])n[n-]1 ZINC000228758559 960041189 /nfs/dbraw/zinc/04/11/89/960041189.db2.gz PJLPJADMATWGFF-JGVFFNPUSA-N -2 3 282.300 1.033 20 0 CDADHL CCOc1n[n-]c(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])n1 ZINC000228758559 960041200 /nfs/dbraw/zinc/04/12/00/960041200.db2.gz PJLPJADMATWGFF-JGVFFNPUSA-N -2 3 282.300 1.033 20 0 CDADHL O=C([O-])C1(NC(=O)c2cc([O-])ccc2Cl)CC1 ZINC000236415867 960564867 /nfs/dbraw/zinc/56/48/67/960564867.db2.gz DWAGMBFWSQTVNU-UHFFFAOYSA-N -2 3 255.657 1.393 20 0 CDADHL O=C([O-])[C@@H]1CCN(Cc2ccc([O-])c(F)c2F)C1 ZINC001574355437 961000985 /nfs/dbraw/zinc/00/09/85/961000985.db2.gz CROQXVCSLUZCEN-MRVPVSSYSA-N -2 3 257.236 1.577 20 0 CDADHL CCc1ccc(C(=O)N[C@H](CC)C(=O)[O-])c([O-])c1 ZINC001573955514 961669785 /nfs/dbraw/zinc/66/97/85/961669785.db2.gz YOYWPLTXCAYNPQ-SNVBAGLBSA-N -2 3 251.282 1.548 20 0 CDADHL Cc1nc(N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc(=O)[n-]1 ZINC000310739731 963430586 /nfs/dbraw/zinc/43/05/86/963430586.db2.gz GPSIWHJZQUDDQI-IONNQARKSA-N -2 3 251.286 1.038 20 0 CDADHL C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cnn[n-]2)cc1 ZINC000396381924 972871307 /nfs/dbraw/zinc/87/13/07/972871307.db2.gz OGUVDQCJAKMWPG-SSDOTTSWSA-N -2 3 260.253 1.245 20 0 CDADHL C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cn[n-]n2)cc1 ZINC000396381924 972871316 /nfs/dbraw/zinc/87/13/16/972871316.db2.gz OGUVDQCJAKMWPG-SSDOTTSWSA-N -2 3 260.253 1.245 20 0 CDADHL O=C([O-])C1CN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC001606031741 973133356 /nfs/dbraw/zinc/13/33/56/973133356.db2.gz ZAIFGPXACQKRGU-UHFFFAOYSA-N -2 3 281.283 1.397 20 0 CDADHL CCC1([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000694148489 976669399 /nfs/dbraw/zinc/66/93/99/976669399.db2.gz NIHNNGWHAUOOKA-UHFFFAOYSA-N -2 3 259.283 1.199 20 0 CDADHL CSC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000694157049 976671320 /nfs/dbraw/zinc/67/13/20/976671320.db2.gz UJXJHFPTWKRKDO-UHFFFAOYSA-N -2 3 291.350 1.152 20 0 CDADHL Cc1cccc([O-])c1C(=O)N1CC[C@H](C(=O)[O-])[C@H]1C ZINC000706610267 977356924 /nfs/dbraw/zinc/35/69/24/977356924.db2.gz LCCAPLLXMWZJME-ZJUUUORDSA-N -2 3 263.293 1.636 20 0 CDADHL O=C([O-])c1ccc(C=C2SC(=O)[N-]C2=O)cc1F ZINC000874930003 980199857 /nfs/dbraw/zinc/19/98/57/980199857.db2.gz VATCSMXSBMVSDW-XBXARRHUSA-N -2 3 267.237 1.848 20 0 CDADHL CC[C@@H](C(=O)[O-])C(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001594749090 981647703 /nfs/dbraw/zinc/64/77/03/981647703.db2.gz UGYPEGNYDHNLKG-RFZPGFLSSA-N -2 3 294.233 1.112 20 0 CDADHL CCCC[C@H](OC(=O)c1cccc2nn[n-]c21)C(=O)[O-] ZINC001595644772 981981278 /nfs/dbraw/zinc/98/12/78/981981278.db2.gz IYNZFEXNUNHBLD-JTQLQIEISA-N -2 3 277.280 1.758 20 0 CDADHL CCCC[C@H](OC(=O)c1cccc2n[n-]nc21)C(=O)[O-] ZINC001595644772 981981280 /nfs/dbraw/zinc/98/12/80/981981280.db2.gz IYNZFEXNUNHBLD-JTQLQIEISA-N -2 3 277.280 1.758 20 0 CDADHL CCc1cccc(C(=O)N[C@@]2(CC(=O)[O-])CCOC2)c1[O-] ZINC001597577025 988370561 /nfs/dbraw/zinc/37/05/61/988370561.db2.gz YQLBUPQMPSCOAU-OAHLLOKOSA-N -2 3 293.319 1.318 20 0 CDADHL COc1cc(C(=O)OCC2(C(=O)[O-])CC2)cc(OC)c1[O-] ZINC001599387544 996973986 /nfs/dbraw/zinc/97/39/86/996973986.db2.gz JEBXZYDCKHTXSP-UHFFFAOYSA-N -2 3 296.275 1.431 20 0 CDADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cccs1 ZINC000123892586 342065990 /nfs/dbraw/zinc/06/59/90/342065990.db2.gz CJELDUCIAREABK-QMMMGPOBSA-N -2 3 277.367 1.527 20 0 CDADHL CCc1cc(=O)[n-]c(CN(CC(=O)[O-])[C@@H](C)CC)n1 ZINC000236964127 342057250 /nfs/dbraw/zinc/05/72/50/342057250.db2.gz NCUDUECMKBFEMD-VIFPVBQESA-N -2 3 267.329 1.430 20 0 CDADHL CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000400385579 342279195 /nfs/dbraw/zinc/27/91/95/342279195.db2.gz JWWHVIDMZWGYCN-DTWKUNHWSA-N -2 3 291.394 1.916 20 0 CDADHL CCC[C@@H](NC(=O)c1c(C)cccc1[O-])c1nnn[n-]1 ZINC000626024115 342289988 /nfs/dbraw/zinc/28/99/88/342289988.db2.gz BUIKGZQPZVZPSZ-SECBINFHSA-N -2 3 275.312 1.485 20 0 CDADHL CCC[C@@H](NC(=O)c1c(C)cccc1[O-])c1nn[n-]n1 ZINC000626024115 342289989 /nfs/dbraw/zinc/28/99/89/342289989.db2.gz BUIKGZQPZVZPSZ-SECBINFHSA-N -2 3 275.312 1.485 20 0 CDADHL O=C([O-])[C@H]1COCCN1Cc1cc([O-])ccc1Cl ZINC000629486578 362099683 /nfs/dbraw/zinc/09/96/83/362099683.db2.gz CEZXCTIRSAWGBE-LLVKDONJSA-N -2 3 271.700 1.331 20 0 CDADHL O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)c1cccc([O-])c1 ZINC000085323124 179016520 /nfs/dbraw/zinc/01/65/20/179016520.db2.gz PXHUSDCKTWHUKB-NEPJUHHUSA-N -2 3 263.293 1.765 20 0 CDADHL CC(C)[C@H](C[N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000087492419 179434728 /nfs/dbraw/zinc/43/47/28/179434728.db2.gz QUXSSKLZUMWPSR-QMMMGPOBSA-N -2 3 277.367 1.383 20 0 CDADHL CC(C)(CC(=O)Nc1cc(F)ccc1[O-])C(=O)[O-] ZINC000176443881 366351995 /nfs/dbraw/zinc/35/19/95/366351995.db2.gz WIEBGOUUJPCCFR-UHFFFAOYSA-N -2 3 255.245 1.971 20 0 CDADHL CCC[C@H](NC(=O)c1cc(OC)ccc1[O-])C(=O)[O-] ZINC000036837017 356886044 /nfs/dbraw/zinc/88/60/44/356886044.db2.gz STVMSHHAYXJZFK-JTQLQIEISA-N -2 3 267.281 1.384 20 0 CDADHL COc1cccc(C(=O)NC(C)(C)CCC(=O)[O-])c1[O-] ZINC000050195105 359619525 /nfs/dbraw/zinc/61/95/25/359619525.db2.gz BHEZFGDXGSDWMK-UHFFFAOYSA-N -2 3 281.308 1.774 20 0 CDADHL CC[C@@H](CC[N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000297209008 200115349 /nfs/dbraw/zinc/11/53/49/200115349.db2.gz NGYXTRCOVKIGBA-VIFPVBQESA-N -2 3 289.328 1.605 20 0 CDADHL Cc1ncc(S(=O)(=O)[N-]C[C@H](C(=O)[O-])C(C)C)s1 ZINC000230099218 360240537 /nfs/dbraw/zinc/24/05/37/360240537.db2.gz FDOSHJXRZYWVRP-QMMMGPOBSA-N -2 3 292.382 1.087 20 0 CDADHL COc1cccc(C(=O)NC[C@@H](C(=O)[O-])C(C)C)c1[O-] ZINC000087479477 482859384 /nfs/dbraw/zinc/85/93/84/482859384.db2.gz SCEHRJYTCBMNIX-SNVBAGLBSA-N -2 3 281.308 1.487 20 0 CDADHL COc1ccc([O-])c(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000054295449 361378908 /nfs/dbraw/zinc/37/89/08/361378908.db2.gz IJEDDMFWFBAZAP-JTQLQIEISA-N -2 3 293.319 1.728 20 0 CDADHL O=C(Nc1ncccc1[O-])C(=O)c1ccc([O-])cc1 ZINC000436705070 361561244 /nfs/dbraw/zinc/56/12/44/361561244.db2.gz JCEKLNBZRDXDHV-UHFFFAOYSA-N -2 3 258.233 1.314 20 0 CDADHL O=C([O-])Cc1cccc([N-]S(=O)(=O)[C@H]2CCCOC2)c1 ZINC000272658496 365339354 /nfs/dbraw/zinc/33/93/54/365339354.db2.gz MLHVADWEJJWIHG-LBPRGKRZSA-N -2 3 299.348 1.234 20 0 CDADHL CO[C@H](C)CS(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC000282281132 367810258 /nfs/dbraw/zinc/81/02/58/367810258.db2.gz UXLRRNJHSBMJES-MRVPVSSYSA-N -2 3 273.310 1.161 20 0 CDADHL CO[C@@H](C)CS(=O)(=O)[N-]c1n[n-]c(SC(C)C)n1 ZINC000330496189 376198335 /nfs/dbraw/zinc/19/83/35/376198335.db2.gz WGKKTTSPNCYPTI-ZETCQYMHSA-N -2 3 294.402 1.082 20 0 CDADHL COc1ccc(C(=O)N([C@@H](C)C(=O)[O-])C2CC2)c([O-])c1 ZINC000263327531 370536044 /nfs/dbraw/zinc/53/60/44/370536044.db2.gz KZPBQEXYVWZJKL-QMMMGPOBSA-N -2 3 279.292 1.479 20 0 CDADHL C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000169109231 372071498 /nfs/dbraw/zinc/07/14/98/372071498.db2.gz PFLYRZVOQMXDCQ-VXNVDRBHSA-N -2 3 287.312 1.458 20 0 CDADHL COCc1nc(=NC(=O)c2cc(C(F)F)n[n-]2)s[n-]1 ZINC000640112120 374207550 /nfs/dbraw/zinc/20/75/50/374207550.db2.gz FSDVZKNSLSQXFW-UHFFFAOYSA-N -2 3 289.267 1.019 20 0 CDADHL COCc1nc(=NC(=O)c2cc(C(F)F)[n-]n2)s[n-]1 ZINC000640112120 374207555 /nfs/dbraw/zinc/20/75/55/374207555.db2.gz FSDVZKNSLSQXFW-UHFFFAOYSA-N -2 3 289.267 1.019 20 0 CDADHL C[C@@H]1CN(C(=O)c2ccc3n[n-]nc3c2)CC[C@@H]1C(=O)[O-] ZINC000313863811 412954999 /nfs/dbraw/zinc/95/49/99/412954999.db2.gz PEMFWLZLXZPTGN-SCZZXKLOSA-N -2 3 288.307 1.141 20 0 CDADHL CO[C@H](CS(=O)(=O)[N-]c1cccc([O-])c1F)C(C)C ZINC000647129279 390490791 /nfs/dbraw/zinc/49/07/91/390490791.db2.gz ODORJYNXZAMINK-LLVKDONJSA-N -2 3 291.344 1.944 20 0 CDADHL Cc1cccc(C(=O)NC2(C(=O)[O-])CCOCC2)c1[O-] ZINC000131692951 413085436 /nfs/dbraw/zinc/08/54/36/413085436.db2.gz COJNELGTZPFJEV-UHFFFAOYSA-N -2 3 279.292 1.064 20 0 CDADHL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000037413267 173189891 /nfs/dbraw/zinc/18/98/91/173189891.db2.gz YWYRROLBYIJCAP-ZCFIWIBFSA-N -2 3 279.264 1.106 20 0 CDADHL CSc1ccc([O-])c(C(=O)N(C)CCC(=O)[O-])c1 ZINC000659762209 414084214 /nfs/dbraw/zinc/08/42/14/414084214.db2.gz SMWCXGRKAOOXDE-UHFFFAOYSA-N -2 3 269.322 1.661 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCSC2)oc1C(=O)[O-] ZINC000663423615 414244883 /nfs/dbraw/zinc/24/48/83/414244883.db2.gz XMEXHYGQCBMLEA-ZETCQYMHSA-N -2 3 291.350 1.070 20 0 CDADHL CCc1cc(=O)[n-]c(CN(CC)[C@@H](C)C(=O)[O-])n1 ZINC000662213841 414568062 /nfs/dbraw/zinc/56/80/62/414568062.db2.gz CFCVJNXMTYGRKN-QMMMGPOBSA-N -2 3 253.302 1.040 20 0 CDADHL O=C([O-])[C@@H](CC1CCC1)[N-]S(=O)(=O)c1ccco1 ZINC000530473176 281516058 /nfs/dbraw/zinc/51/60/58/281516058.db2.gz YNGJUGPNIANPIR-SECBINFHSA-N -2 3 273.310 1.201 20 0 CDADHL C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)CC(=O)[O-] ZINC000147237415 289066991 /nfs/dbraw/zinc/06/69/91/289066991.db2.gz YQVMCOKBYGGFLY-LURJTMIESA-N -2 3 297.785 1.791 20 0 CDADHL CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000562999006 293239748 /nfs/dbraw/zinc/23/97/48/293239748.db2.gz FSWHSEIUTMKVPV-PSASIEDQSA-N -2 3 275.326 1.303 20 0 CDADHL CCCc1cc(=O)n(-c2ccc(-c3nnn[n-]3)cn2)[n-]1 ZINC001590567163 1173465022 /nfs/dbraw/zinc/46/50/22/1173465022.db2.gz KBCMMYPWYNITPX-UHFFFAOYSA-N -2 3 271.284 1.155 20 0 CDADHL CCCc1cc(=O)n(-c2ccc(-c3nn[n-]n3)cn2)[n-]1 ZINC001590567163 1173465027 /nfs/dbraw/zinc/46/50/27/1173465027.db2.gz KBCMMYPWYNITPX-UHFFFAOYSA-N -2 3 271.284 1.155 20 0 CDADHL Cc1csc(S(=O)(=O)[N-][C@H](C)[C@H](C)C(=O)[O-])c1 ZINC000568361524 294020228 /nfs/dbraw/zinc/02/02/28/294020228.db2.gz ZOSOFAWUGJDJCA-JGVFFNPUSA-N -2 3 277.367 1.444 20 0 CDADHL COc1ccc([O-])c(C(=O)N2CCC[C@H](C)[C@H]2C(=O)[O-])c1 ZINC000234958973 295165160 /nfs/dbraw/zinc/16/51/60/295165160.db2.gz HQLDQIAAZUPALH-ZANVPECISA-N -2 3 293.319 1.726 20 0 CDADHL CC(C)[C@@H](CNC(=O)c1ccc2n[n-]nc2c1)C(=O)[O-] ZINC000087476840 482856927 /nfs/dbraw/zinc/85/69/27/482856927.db2.gz GLZDNFYSYTYGIL-SECBINFHSA-N -2 3 276.296 1.045 20 0 CDADHL Cc1[nH]c(C(=O)Nc2nc(C)ccc2[O-])c(C)c1C(=O)[O-] ZINC001600466663 1174485668 /nfs/dbraw/zinc/48/56/68/1174485668.db2.gz DBGZCSZMNQVHAN-UHFFFAOYSA-N -2 3 289.291 1.991 20 0 CDADHL O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000739553853 576252994 /nfs/dbraw/zinc/25/29/94/576252994.db2.gz SENLDYMOMTZLCQ-HTQZYQBOSA-N -2 3 290.254 1.270 20 0 CDADHL O=C([O-])Cc1nc([N-]C(=O)c2cc(Cl)ccc2F)n[nH]1 ZINC000739910215 576396826 /nfs/dbraw/zinc/39/68/26/576396826.db2.gz MPWGTRLALRJRHW-UHFFFAOYSA-N -2 3 298.661 1.477 20 0 CDADHL CC[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)[O-] ZINC000833645374 605010982 /nfs/dbraw/zinc/01/09/82/605010982.db2.gz IZNKEFQQJSTFOZ-VIFPVBQESA-N -2 3 264.237 1.690 20 0 CDADHL O=C([O-])CCc1nnc([N-]C(=O)c2ccco2)s1 ZINC000036239231 617913048 /nfs/dbraw/zinc/91/30/48/617913048.db2.gz XTMTZIORTFMSES-UHFFFAOYSA-N -2 3 267.266 1.401 20 0 CDADHL O=C([O-])[C@@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000909423839 619246500 /nfs/dbraw/zinc/24/65/00/619246500.db2.gz OKQRBNYZDFBBHE-LLVKDONJSA-N -2 3 295.310 1.787 20 0 CDADHL CCN(CCC(=O)[O-])C(=O)Cc1ccc([O-])c(F)c1 ZINC000908858821 628399610 /nfs/dbraw/zinc/39/96/10/628399610.db2.gz OSFIKBHAZMWTFI-UHFFFAOYSA-N -2 3 269.272 1.397 20 0 CDADHL C[C@@H](C(=O)[O-])N(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000909047987 628490354 /nfs/dbraw/zinc/49/03/54/628490354.db2.gz KCSZSCGROQZIFG-ZETCQYMHSA-N -2 3 270.260 1.146 20 0 CDADHL CC[C@@H](C)N(CC(=O)[O-])C(=O)Cc1ccc([O-])c(F)c1 ZINC000909312382 628627217 /nfs/dbraw/zinc/62/72/17/628627217.db2.gz LVFXSACWGSNNNP-SECBINFHSA-N -2 3 283.299 1.786 20 0 CDADHL O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)[N-]O[C@H]1CCCCO1 ZINC000911799279 629527000 /nfs/dbraw/zinc/52/70/00/629527000.db2.gz IWYCOXLRPBHMAK-AXFHLTTASA-N -2 3 271.313 1.452 20 0 CDADHL COc1ccc(C(=O)N(C)C(C)(C)CC(=O)[O-])c([O-])c1 ZINC001607202899 1164129128 /nfs/dbraw/zinc/12/91/28/1164129128.db2.gz MQMYGYRMEUEYTN-UHFFFAOYSA-N -2 3 281.308 1.726 20 0 CDADHL COc1ccc(CN=c2ncnc3[nH][n-]cc2-3)cc1C(=O)[O-] ZINC001607260775 1164138252 /nfs/dbraw/zinc/13/82/52/1164138252.db2.gz MLMITHWBKWSESX-UHFFFAOYSA-N -2 3 299.290 1.045 20 0 CDADHL Cn1c(C(=O)[O-])ccc1C(=O)Nc1ncccc1[O-] ZINC001608084197 1164403526 /nfs/dbraw/zinc/40/35/26/1164403526.db2.gz ZBWUQDQHVLEUKA-UHFFFAOYSA-N -2 3 261.237 1.076 20 0 CDADHL O=C([O-])[C@H]1CCCN1Cc1nnc(-c2ccccc2[O-])o1 ZINC001608819983 1164650382 /nfs/dbraw/zinc/65/03/82/1164650382.db2.gz NAAUUMNPERLCNO-SNVBAGLBSA-N -2 3 289.291 1.491 20 0 CDADHL CC[C@@H](C)CO[N-]C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000794871141 1164696527 /nfs/dbraw/zinc/69/65/27/1164696527.db2.gz PWXAJJSJOGIXAO-SNVBAGLBSA-N -2 3 280.324 1.216 20 0 CDADHL CC(C)(C)c1ccc(-c2nnn[n-]2)c(NCCC(=O)[O-])n1 ZINC001609080377 1164760442 /nfs/dbraw/zinc/76/04/42/1164760442.db2.gz BFUJYRRPFPZGPL-UHFFFAOYSA-N -2 3 290.327 1.446 20 0 CDADHL CC(C)(C)c1ccc(-c2nn[n-]n2)c(NCCC(=O)[O-])n1 ZINC001609080377 1164760447 /nfs/dbraw/zinc/76/04/47/1164760447.db2.gz BFUJYRRPFPZGPL-UHFFFAOYSA-N -2 3 290.327 1.446 20 0 CDADHL Cc1n[n-]cc1C(=O)O[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001610405271 1165308418 /nfs/dbraw/zinc/30/84/18/1165308418.db2.gz WOERMHKSGMQQDY-NSHDSACASA-N -2 3 278.239 1.840 20 0 CDADHL Cn1cc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1C(=O)[O-] ZINC001610606116 1165375425 /nfs/dbraw/zinc/37/54/25/1165375425.db2.gz YRYWKTAOFDATPQ-SNVBAGLBSA-N -2 3 283.284 1.303 20 0 CDADHL O=C([O-])Cc1csc([N-]c2ncnc3ccncc32)n1 ZINC001610797826 1165445395 /nfs/dbraw/zinc/44/53/95/1165445395.db2.gz PLDQXKNNPPOQRY-UHFFFAOYSA-N -2 3 287.304 1.852 20 0 CDADHL Cc1ccc(NCC2(C(=O)[O-])CCC2)nc1-c1nnn[n-]1 ZINC001592183366 1173827914 /nfs/dbraw/zinc/82/79/14/1173827914.db2.gz QUVOFNOTIIGQSU-UHFFFAOYSA-N -2 3 288.311 1.237 20 0 CDADHL O=C([O-])[C@@H]1CCN(c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC001593276522 1174047235 /nfs/dbraw/zinc/04/72/35/1174047235.db2.gz MHHSOCJRWBLATO-ZCFIWIBFSA-N -2 3 295.249 1.056 20 0 CDADHL O=C([O-])[C@@H]1CCN(c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC001593276522 1174047242 /nfs/dbraw/zinc/04/72/42/1174047242.db2.gz MHHSOCJRWBLATO-ZCFIWIBFSA-N -2 3 295.249 1.056 20 0 CDADHL Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1nc(C)ccc1[O-] ZINC001600466876 1174485784 /nfs/dbraw/zinc/48/57/84/1174485784.db2.gz HGQBHPMPLFIAOF-UHFFFAOYSA-N -2 3 289.291 1.991 20 0 CDADHL C[C@@]1(C(=O)[O-])CCN(c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000095231901 1174517293 /nfs/dbraw/zinc/51/72/93/1174517293.db2.gz FCWCHDBZNGFQLO-CYBMUJFWSA-N -2 3 291.286 1.307 20 0 CDADHL O=C([O-])C[C@@H]1CCCN(Cc2cc(C(=O)[O-])no2)C1 ZINC001601951870 1175083892 /nfs/dbraw/zinc/08/38/92/1175083892.db2.gz MBVMQDBMGGBENC-QMMMGPOBSA-N -2 3 268.269 1.060 20 0 CDADHL O=C([O-])c1coc(C(=O)[N-]c2nnc(C3CC3)s2)c1 ZINC001602550998 1175291351 /nfs/dbraw/zinc/29/13/51/1175291351.db2.gz TWKQVSAPZSAHNV-UHFFFAOYSA-N -2 3 279.277 1.959 20 0 CDADHL O=C([O-])c1nsc([N-]C(=O)c2nccc3occc32)n1 ZINC001602587076 1175310355 /nfs/dbraw/zinc/31/03/55/1175310355.db2.gz QJOBFWSSESUZPZ-UHFFFAOYSA-N -2 3 290.260 1.630 20 0 CDADHL CC(C)(C)C[C@H](NC(=O)c1cccc2n[n-]nc21)C(=O)[O-] ZINC001603326580 1175539834 /nfs/dbraw/zinc/53/98/34/1175539834.db2.gz ARDQOGZJQFAVNQ-JTQLQIEISA-N -2 3 290.323 1.577 20 0 CDADHL Cc1cc([C@@H](C)SCCc2nnn[n-]2)oc1C(=O)[O-] ZINC001607610758 1164239762 /nfs/dbraw/zinc/23/97/62/1164239762.db2.gz MWOGQOZTZLGTNK-SSDOTTSWSA-N -2 3 282.325 1.836 20 0 CDADHL Cc1cc([C@@H](C)SCCc2nn[n-]n2)oc1C(=O)[O-] ZINC001607610758 1164239768 /nfs/dbraw/zinc/23/97/68/1164239768.db2.gz MWOGQOZTZLGTNK-SSDOTTSWSA-N -2 3 282.325 1.836 20 0 CDADHL O=C([O-])[C@]1(F)CCN(Cc2c(F)ccc([O-])c2F)C1 ZINC001608575449 1164552815 /nfs/dbraw/zinc/55/28/15/1164552815.db2.gz JILIADTUXNEDQR-LBPRGKRZSA-N -2 3 275.226 1.669 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC001608715682 1164617993 /nfs/dbraw/zinc/61/79/93/1164617993.db2.gz ALVKCBSWNLIISM-QWRGUYRKSA-N -2 3 271.313 1.247 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)C[C@H]1OC(=O)c2ccccc21 ZINC001608716012 1164618246 /nfs/dbraw/zinc/61/82/46/1164618246.db2.gz QRRDHQFGBZRVDI-LLVKDONJSA-N -2 3 293.275 1.201 20 0 CDADHL O=C([O-])CC1(COC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC001601920224 1167809897 /nfs/dbraw/zinc/80/98/97/1167809897.db2.gz NMBXFNGAIIAPNQ-UHFFFAOYSA-N -2 3 282.267 1.872 20 0 CDADHL Cc1[n-][nH]c2ncnc(=NC(=O)c3ccc([O-])cc3F)c1-2 ZINC001186310421 919980861 /nfs/dbraw/zinc/98/08/61/919980861.db2.gz AGDKHPNXHQQHCW-UHFFFAOYSA-N -2 3 287.254 1.132 20 0 CDADHL O=C([O-])C[C@H](NCc1ccc(F)c(F)c1F)C(=O)[O-] ZINC001119549278 925381353 /nfs/dbraw/zinc/38/13/53/925381353.db2.gz DYCDJANGKRNYOK-ZETCQYMHSA-N -2 3 277.198 1.121 20 0 CDADHL C=CS(=O)(=O)[N-]c1nc2c(cccc2[O-])s1 ZINC001198556587 925468899 /nfs/dbraw/zinc/46/88/99/925468899.db2.gz YVFWGYPQHRSWMD-UHFFFAOYSA-N -2 3 256.308 1.887 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1c[nH]c2ncccc12 ZINC001149374267 937173774 /nfs/dbraw/zinc/17/37/74/937173774.db2.gz PEGVYHWICVEXPU-UHFFFAOYSA-N -2 3 297.251 1.251 20 0 CDADHL O=P([O-])([O-])CCOC[C@H]1COc2cscc2O1 ZINC001224601605 941774173 /nfs/dbraw/zinc/77/41/73/941774173.db2.gz INUXJNCIQBJEJD-ZETCQYMHSA-N -2 3 280.238 1.082 20 0 CDADHL O=P([O-])([O-])CCOC[C@@H]1CC[C@@]2(CCCCO2)O1 ZINC001224601464 941774791 /nfs/dbraw/zinc/77/47/91/941774791.db2.gz HKAPARCZJXMXMU-WDEREUQCSA-N -2 3 280.257 1.257 20 0 CDADHL O=P([O-])([O-])CCCCO[C@@H]1CCCC2(C1)OCCO2 ZINC001225019217 941815134 /nfs/dbraw/zinc/81/51/34/941815134.db2.gz URNHMBZYPOAQTF-LLVKDONJSA-N -2 3 294.284 1.647 20 0 CDADHL COc1ccccc1CO[N-]C(=O)CCC(=O)[O-] ZINC001611070189 970877495 /nfs/dbraw/zinc/87/74/95/970877495.db2.gz JSOWPPRSQMJLOH-UHFFFAOYSA-N -2 3 253.254 1.108 20 0 CDADHL C[C@@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1ccccn1 ZINC001233938521 943694707 /nfs/dbraw/zinc/69/47/07/943694707.db2.gz CNFQHBFZXJRKAF-SSDOTTSWSA-N -2 3 257.253 1.181 20 0 CDADHL C[C@@H]1CC[C@H](C)[C@@H](Oc2[n-]c(=O)nc3cn[n-]c32)C1 ZINC001233940592 943696594 /nfs/dbraw/zinc/69/65/94/943696594.db2.gz XUROBSLTJKSVFQ-WEDXCCLWSA-N -2 3 262.313 1.850 20 0 CDADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)C1CCCC1 ZINC001259802299 945641818 /nfs/dbraw/zinc/64/18/18/945641818.db2.gz DGLNOQVXTJXPQD-UHFFFAOYSA-N -2 3 299.348 1.863 20 0 CDADHL O=S(=O)([O-])c1cccc(-c2ccccc2[O-])n1 ZINC001241008976 946146075 /nfs/dbraw/zinc/14/60/75/946146075.db2.gz XUBQPGXSLQCMEG-UHFFFAOYSA-N -2 3 251.263 1.701 20 0 CDADHL O=C([O-])[C@@H](OC(=O)c1cc(F)cc2n[n-]nc21)C1CC1 ZINC001595273292 949864822 /nfs/dbraw/zinc/86/48/22/949864822.db2.gz LKRPOXBVGVJFGV-JTQLQIEISA-N -2 3 279.227 1.117 20 0 CDADHL CCOc1nc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)n[n-]1 ZINC000380253348 971687227 /nfs/dbraw/zinc/68/72/27/971687227.db2.gz OGFCXUJMAMJTKT-HTQZYQBOSA-N -2 3 282.300 1.033 20 0 CDADHL CCOc1n[n-]c(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000380253348 971687231 /nfs/dbraw/zinc/68/72/31/971687231.db2.gz OGFCXUJMAMJTKT-HTQZYQBOSA-N -2 3 282.300 1.033 20 0 CDADHL C[C@H](CN(C)Cc1c(F)ccc([O-])c1F)C(=O)[O-] ZINC001589034121 955549226 /nfs/dbraw/zinc/54/92/26/955549226.db2.gz POJXMCNIDPLNDI-SSDOTTSWSA-N -2 3 259.252 1.823 20 0 CDADHL O=C([O-])C(=O)COC(=O)CCCc1ccc([O-])c(F)c1 ZINC001594685042 956707684 /nfs/dbraw/zinc/70/76/84/956707684.db2.gz GSBRGBWTFPIOQV-UHFFFAOYSA-N -2 3 284.239 1.051 20 0 CDADHL CC(=O)c1ccc(C(=O)NC2(CC(=O)[O-])CCC2)cc1[O-] ZINC001588528529 958890244 /nfs/dbraw/zinc/89/02/44/958890244.db2.gz ZNQZYRQOMHKCDQ-UHFFFAOYSA-N -2 3 291.303 1.722 20 0 CDADHL CC(C)(C)[C@@H](C(=O)[O-])C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC001588632350 959621853 /nfs/dbraw/zinc/62/18/53/959621853.db2.gz VGMFFXNRRFRIRB-SECBINFHSA-N -2 3 293.323 1.208 20 0 CDADHL Cc1ccc(C(=O)N2CCSC[C@H]2C(=O)[O-])c([O-])c1 ZINC000214795916 959741996 /nfs/dbraw/zinc/74/19/96/959741996.db2.gz NDRKKLVXOHINHB-JTQLQIEISA-N -2 3 281.333 1.343 20 0 CDADHL Cc1cccc(C(=O)Nc2n[nH]cc2C(=O)[O-])c1[O-] ZINC001574389573 961158424 /nfs/dbraw/zinc/15/84/24/961158424.db2.gz QIUDNVYQBUNSFH-UHFFFAOYSA-N -2 3 261.237 1.374 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]C2(C)CC2)oc1C(=O)[O-] ZINC001327617034 961176104 /nfs/dbraw/zinc/17/61/04/961176104.db2.gz OUONVPCXAINKLS-UHFFFAOYSA-N -2 3 259.283 1.117 20 0 CDADHL O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cccc(F)c1[O-] ZINC001361672200 970404003 /nfs/dbraw/zinc/40/40/03/970404003.db2.gz SZCAHFWPWBQVNH-UHFFFAOYSA-N -2 3 290.176 1.921 20 0 CDADHL O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cccc(F)c1[O-] ZINC001361672200 970404011 /nfs/dbraw/zinc/40/40/11/970404011.db2.gz SZCAHFWPWBQVNH-UHFFFAOYSA-N -2 3 290.176 1.921 20 0 CDADHL O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cccc(F)c1[O-] ZINC001361672200 970404013 /nfs/dbraw/zinc/40/40/13/970404013.db2.gz SZCAHFWPWBQVNH-UHFFFAOYSA-N -2 3 290.176 1.921 20 0 CDADHL O=C([O-])[C@@H](C(=O)Nc1cccc([O-])c1F)C1CC1 ZINC001605900841 972729209 /nfs/dbraw/zinc/72/92/09/972729209.db2.gz HZLQPZJCUNQIAG-SECBINFHSA-N -2 3 253.229 1.581 20 0 CDADHL CC[C@@H](C)CO[N-]C(=O)C1(CC(=O)[O-])CCOCC1 ZINC001603512849 973515241 /nfs/dbraw/zinc/51/52/41/973515241.db2.gz RUJDAXQEBADTGB-SNVBAGLBSA-N -2 3 273.329 1.352 20 0 CDADHL COc1nc(NC(=O)C2(C(=O)[O-])CCCCCC2)n[n-]1 ZINC001604907063 974174099 /nfs/dbraw/zinc/17/40/99/974174099.db2.gz ZLBFTAZAGMDLIV-UHFFFAOYSA-N -2 3 282.300 1.177 20 0 CDADHL COc1n[n-]c(NC(=O)C2(C(=O)[O-])CCCCCC2)n1 ZINC001604907063 974174101 /nfs/dbraw/zinc/17/41/01/974174101.db2.gz ZLBFTAZAGMDLIV-UHFFFAOYSA-N -2 3 282.300 1.177 20 0 CDADHL CC(C)c1ccc(C(=O)N[C@@H](CF)C(=O)[O-])c([O-])c1 ZINC001591942765 976472875 /nfs/dbraw/zinc/47/28/75/976472875.db2.gz ITGNOSKSMJIGOW-JTQLQIEISA-N -2 3 269.272 1.668 20 0 CDADHL C[C@H](CC(=O)[O-])C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001592368107 977876578 /nfs/dbraw/zinc/87/65/78/977876578.db2.gz YYJPQCKIAIDBED-ZCFIWIBFSA-N -2 3 263.253 1.318 20 0 CDADHL C[C@]([N-]C(=O)C(F)(F)c1nccs1)(C(=O)[O-])C1CC1 ZINC001592994421 980204166 /nfs/dbraw/zinc/20/41/66/980204166.db2.gz XUHKRDRCLAJOBD-SNVBAGLBSA-N -2 3 290.291 1.604 20 0 CDADHL C[C@H]1CN(C(=O)Cc2ccc([O-])c(F)c2)C[C@]1(C)C(=O)[O-] ZINC001599918413 985092830 /nfs/dbraw/zinc/09/28/30/985092830.db2.gz IPYDFRPNDMIJKD-VFZGTOFNSA-N -2 3 295.310 1.643 20 0 CDADHL C[C@@H](CF)[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC001599835007 988728757 /nfs/dbraw/zinc/72/87/57/988728757.db2.gz BZRJDPHSDVWKAH-YFKPBYRVSA-N -2 3 297.254 1.299 20 0 CDADHL COc1cc(C(=O)NC/C=C(\C)C(=O)[O-])cc(OC)c1[O-] ZINC001599354217 998150110 /nfs/dbraw/zinc/15/01/10/998150110.db2.gz LILHFXRSAGLXCS-XBXARRHUSA-N -2 3 295.291 1.170 20 0 CDADHL COc1cc(C(=O)[O-])ccc1CCNc1cc(=O)[n-]cn1 ZINC001599368533 998373687 /nfs/dbraw/zinc/37/36/87/998373687.db2.gz QSTXGOKEEPQKHI-UHFFFAOYSA-N -2 3 289.291 1.544 20 0 CDADHL CC(C)C([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])C(C)C ZINC001573493941 1170673721 /nfs/dbraw/zinc/67/37/21/1170673721.db2.gz NEXVCFJXTALUBD-UHFFFAOYSA-N -2 3 289.357 1.067 20 0 CDADHL CC(C)CCC[C@H](NC(=O)c1cc(=O)[n-]cn1)C(=O)[O-] ZINC001573505824 1170677833 /nfs/dbraw/zinc/67/78/33/1170677833.db2.gz MTXOCTTUVMOYJY-VIFPVBQESA-N -2 3 281.312 1.192 20 0 CDADHL CC(C)Cc1nc(=NC(=O)c2ncc[n-]2)s[n-]1 ZINC000618350173 342487500 /nfs/dbraw/zinc/48/75/00/342487500.db2.gz SMISJUDIVVQOTE-UHFFFAOYSA-N -2 3 251.315 1.134 20 0 CDADHL CCCC(C)(C)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000168877742 342073862 /nfs/dbraw/zinc/07/38/62/342073862.db2.gz DFTONQAUGMAFAC-UHFFFAOYSA-N -2 3 292.382 1.698 20 0 CDADHL C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)[C@@H](C)C(=O)[O-] ZINC000133166134 342069892 /nfs/dbraw/zinc/06/98/92/342069892.db2.gz ZSNLUSWYMFWSER-PHDIDXHHSA-N -2 3 297.785 1.789 20 0 CDADHL CC(=O)c1ccc(C(=O)N(C)C[C@H](C)C(=O)[O-])cc1[O-] ZINC000571403949 362495935 /nfs/dbraw/zinc/49/59/35/362495935.db2.gz QIEKUSMDQQGXTH-QMMMGPOBSA-N -2 3 279.292 1.388 20 0 CDADHL O=C([O-])[C@H]1C=C[C@H]([N-]S(=O)(=O)c2ccccc2F)C1 ZINC000092181367 180338201 /nfs/dbraw/zinc/33/82/01/180338201.db2.gz ABXXJAJRZXFFLF-IUCAKERBSA-N -2 3 285.296 1.133 20 0 CDADHL CSc1nc(=O)[n-]c(C)c1C(=O)[N-]OC/C=C/Cl ZINC000292191436 198196641 /nfs/dbraw/zinc/19/66/41/198196641.db2.gz NXWFHSGTJVGHLU-ONEGZZNKSA-N -2 3 289.744 1.626 20 0 CDADHL Cc1ccc(C(=O)Nc2ccn(CC(=O)[O-])n2)c([O-])c1 ZINC000158287274 188367803 /nfs/dbraw/zinc/36/78/03/188367803.db2.gz RZKCWYILRAORTO-UHFFFAOYSA-N -2 3 275.264 1.234 20 0 CDADHL Cc1nnc(-n2[n-]c3c(c2=O)C[C@H](C)CC3)[n-]c1=O ZINC000634586116 356465688 /nfs/dbraw/zinc/46/56/88/356465688.db2.gz CAYPTXZPGKKUMY-SVRRBLITSA-N -2 3 261.285 1.024 20 0 CDADHL Cc1ccc([O-])c([N-]S(=O)(=O)C[C@H]2CCCO2)c1 ZINC000063156136 357508412 /nfs/dbraw/zinc/50/84/12/357508412.db2.gz HNEOKMDTTIECFB-SNVBAGLBSA-N -2 3 271.338 1.621 20 0 CDADHL CC[C@@](C)(NC(=O)c1cc(OC)ccc1[O-])C(=O)[O-] ZINC000094220473 358652598 /nfs/dbraw/zinc/65/25/98/358652598.db2.gz BULJJZJZZMIZLM-CYBMUJFWSA-N -2 3 267.281 1.384 20 0 CDADHL Cc1ccc(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)c([O-])c1C ZINC000095322687 358681866 /nfs/dbraw/zinc/68/18/66/358681866.db2.gz TUXJSXVPONPAQP-SECBINFHSA-N -2 3 289.339 1.398 20 0 CDADHL Cc1ccc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c([O-])c1C ZINC000095322687 358681867 /nfs/dbraw/zinc/68/18/67/358681867.db2.gz TUXJSXVPONPAQP-SECBINFHSA-N -2 3 289.339 1.398 20 0 CDADHL CCCN(CC(=O)[O-])C(=O)c1cc(OC)ccc1[O-] ZINC000038020366 359476278 /nfs/dbraw/zinc/47/62/78/359476278.db2.gz STWHCAHZRPNLRI-UHFFFAOYSA-N -2 3 267.281 1.338 20 0 CDADHL COc1cccc2c(C(=O)N=c3[n-]ncs3)n[n-]c21 ZINC000347960134 359683818 /nfs/dbraw/zinc/68/38/18/359683818.db2.gz PEILLOSFCODMHQ-UHFFFAOYSA-N -2 3 275.293 1.097 20 0 CDADHL COc1cccc2c1n[n-]c2C(=O)N=c1[n-]ncs1 ZINC000347960134 359683821 /nfs/dbraw/zinc/68/38/21/359683821.db2.gz PEILLOSFCODMHQ-UHFFFAOYSA-N -2 3 275.293 1.097 20 0 CDADHL CC[C@H](CC[N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000297289378 200136892 /nfs/dbraw/zinc/13/68/92/200136892.db2.gz UQYYRSJWSAETTF-MRVPVSSYSA-N -2 3 277.367 1.527 20 0 CDADHL Cc1cc(=O)[n-]c([C@H](C)N2CC[C@H](C(=O)[O-])[C@@H]2C)n1 ZINC000568523254 294054106 /nfs/dbraw/zinc/05/41/06/294054106.db2.gz YISCUACCQJORHB-GUBZILKMSA-N -2 3 265.313 1.347 20 0 CDADHL Cc1ccc(C(=O)NC(C)(C)c2nnn[n-]2)c([O-])c1C ZINC000436590449 361537910 /nfs/dbraw/zinc/53/79/10/361537910.db2.gz NAOMXGIKIHKVHV-UHFFFAOYSA-N -2 3 275.312 1.187 20 0 CDADHL Cc1ccc(C(=O)NC(C)(C)c2nn[n-]n2)c([O-])c1C ZINC000436590449 361537913 /nfs/dbraw/zinc/53/79/13/361537913.db2.gz NAOMXGIKIHKVHV-UHFFFAOYSA-N -2 3 275.312 1.187 20 0 CDADHL Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cc(F)ccc1[O-] ZINC000436796657 361575802 /nfs/dbraw/zinc/57/58/02/361575802.db2.gz KHEVFEPAEVIUTP-UHFFFAOYSA-N -2 3 279.227 1.293 20 0 CDADHL N=c1[n-]nc(SCc2cc(=O)[n-]c(C3CC3)n2)s1 ZINC000563942091 364769507 /nfs/dbraw/zinc/76/95/07/364769507.db2.gz FPOBFFFLPJQSHN-UHFFFAOYSA-N -2 3 281.366 1.616 20 0 CDADHL O=S(=O)(C[C@H]1CCCO1)[N-]c1cc([O-])c(F)cc1F ZINC000414395096 241179996 /nfs/dbraw/zinc/17/99/96/241179996.db2.gz LXPCIVXJMGGNCH-SSDOTTSWSA-N -2 3 293.291 1.591 20 0 CDADHL CCCc1nc(=NCc2cnc(C)[n-]c2=O)s[n-]1 ZINC000360069968 368101256 /nfs/dbraw/zinc/10/12/56/368101256.db2.gz GIXXVZMYLJFKNZ-UHFFFAOYSA-N -2 3 265.342 1.329 20 0 CDADHL CC(C)C[C@@H](C[N-]S(=O)(=O)c1cscn1)C(=O)[O-] ZINC000564984088 370316895 /nfs/dbraw/zinc/31/68/95/370316895.db2.gz NWRJIXMFLYSHLJ-QMMMGPOBSA-N -2 3 292.382 1.168 20 0 CDADHL Cc1ccc(C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC000564979941 370315894 /nfs/dbraw/zinc/31/58/94/370315894.db2.gz YCQWFNNJWGSNED-JQWIXIFHSA-N -2 3 277.320 1.883 20 0 CDADHL COc1ccc([O-])c(C(=O)Nc2ncccc2[O-])c1 ZINC000120669172 370440559 /nfs/dbraw/zinc/44/05/59/370440559.db2.gz FECXQUYZFVMXBA-UHFFFAOYSA-N -2 3 260.249 1.754 20 0 CDADHL Cc1cc(F)c(S(=O)(=O)[N-]CCC(=O)[O-])cc1F ZINC000261702952 190042976 /nfs/dbraw/zinc/04/29/76/190042976.db2.gz OPTKYDUXKSLAGH-UHFFFAOYSA-N -2 3 279.264 1.026 20 0 CDADHL Cc1n[n-]c(=NCc2nc(C(C)(C)C)n[n-]2)s1 ZINC000413401242 390998266 /nfs/dbraw/zinc/99/82/66/390998266.db2.gz ARDUNPHZAJAGST-UHFFFAOYSA-N -2 3 252.347 1.296 20 0 CDADHL O=C(N=c1ccc([O-])n[n-]1)[C@H]1CCN(c2ccccc2)C1 ZINC000410719562 391333128 /nfs/dbraw/zinc/33/31/28/391333128.db2.gz OKRQOFZLJHCSSF-NSHDSACASA-N -2 3 284.319 1.069 20 0 CDADHL C[C@@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)C(=O)[O-] ZINC000262725241 149103750 /nfs/dbraw/zinc/10/37/50/149103750.db2.gz YRFZQCINILIFNJ-ZCFIWIBFSA-N -2 3 261.199 1.507 20 0 CDADHL Cc1csc(S(=O)(=O)[N-]CCCC(=O)[O-])c1 ZINC000263223837 149124753 /nfs/dbraw/zinc/12/47/53/149124753.db2.gz REJVSOAFKAVCAS-UHFFFAOYSA-N -2 3 263.340 1.200 20 0 CDADHL COc1cccc(C2(C(=O)N=c3ccc([O-])n[n-]3)CC2)c1 ZINC000343705416 152273036 /nfs/dbraw/zinc/27/30/36/152273036.db2.gz FRXTVILFZVYVLQ-UHFFFAOYSA-N -2 3 285.303 1.283 20 0 CDADHL Cc1ccc(-c2cc(=NC(=O)N=c3cn[n-]s3)[nH][n-]2)o1 ZINC000346509446 153212823 /nfs/dbraw/zinc/21/28/23/153212823.db2.gz LTMOHVLHCCVSPQ-UHFFFAOYSA-N -2 3 290.308 1.896 20 0 CDADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)(C)C ZINC000035390622 172173879 /nfs/dbraw/zinc/17/38/79/172173879.db2.gz GRSNTJDGZBXAEX-SECBINFHSA-N -2 3 290.341 1.069 20 0 CDADHL CC(C)=CC[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000663421954 414243193 /nfs/dbraw/zinc/24/31/93/414243193.db2.gz FCGRBTZKKLXNBX-UHFFFAOYSA-N -2 3 273.310 1.531 20 0 CDADHL CC/C=C/C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000395153914 270341094 /nfs/dbraw/zinc/34/10/94/270341094.db2.gz LWOGSEKLVZZEQC-ONEGZZNKSA-N -2 3 287.312 1.768 20 0 CDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccco1)c1ccccc1F ZINC000573774353 294883035 /nfs/dbraw/zinc/88/30/35/294883035.db2.gz FTKDOCYEYSFOPV-LLVKDONJSA-N -2 3 299.279 1.523 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](F)C2)o1 ZINC000576940061 317234174 /nfs/dbraw/zinc/23/41/74/317234174.db2.gz BFVSFNNYEBSSJQ-YUMQZZPRSA-N -2 3 291.300 1.537 20 0 CDADHL Cc1cccc(C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1[O-] ZINC000579712190 324262080 /nfs/dbraw/zinc/26/20/80/324262080.db2.gz JXWYXCYJFUFZAU-BXKDBHETSA-N -2 3 277.320 1.883 20 0 CDADHL Cc1ccc(C(=O)[O-])c([N-]S(=O)(=O)[C@@H]2CCCOC2)c1 ZINC000584361354 329102635 /nfs/dbraw/zinc/10/26/35/329102635.db2.gz MSCGDQUGOUDIMY-SNVBAGLBSA-N -2 3 299.348 1.614 20 0 CDADHL COCCS(=O)(=O)[N-]c1ccc(F)c(NC(=O)[O-])c1 ZINC000737824383 575098234 /nfs/dbraw/zinc/09/82/34/575098234.db2.gz URDVSLJZFJWACJ-UHFFFAOYSA-N -2 3 292.288 1.304 20 0 CDADHL COc1cccc(C(=O)NCCSCCC(=O)[O-])c1[O-] ZINC000738084496 576037557 /nfs/dbraw/zinc/03/75/57/576037557.db2.gz VDZMCOMIFCUGBH-UHFFFAOYSA-N -2 3 299.348 1.339 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)Cc1c[nH]c2ccccc12 ZINC001601994470 1175103529 /nfs/dbraw/zinc/10/35/29/1175103529.db2.gz CKKDTCUXDUZQDF-UHFFFAOYSA-N -2 3 276.292 1.623 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)Cc1ccc(F)cc1 ZINC001601995626 1175105650 /nfs/dbraw/zinc/10/56/50/1175105650.db2.gz RMLZSLDCFVKXEW-UHFFFAOYSA-N -2 3 255.245 1.281 20 0 CDADHL CC(C)C[C@@H](NC(=O)c1cc2c(cc1[O-])OCO2)C(=O)[O-] ZINC000819984459 598146633 /nfs/dbraw/zinc/14/66/33/598146633.db2.gz HMTUTEGKZAYJTP-SECBINFHSA-N -2 3 295.291 1.350 20 0 CDADHL COc1cc(C(=O)NCCCCC(=O)[O-])cc(OC)c1[O-] ZINC000820759232 598170785 /nfs/dbraw/zinc/17/07/85/598170785.db2.gz JCXVGZHWUIAGDN-UHFFFAOYSA-N -2 3 297.307 1.394 20 0 CDADHL COc1ccc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)c([O-])c1 ZINC000832162166 601758871 /nfs/dbraw/zinc/75/88/71/601758871.db2.gz HKYIQLYDCOOWJT-CYBMUJFWSA-N -2 3 283.255 1.040 20 0 CDADHL O=C([O-])c1ccc(COC(=O)c2cncc([O-])c2)s1 ZINC000833353440 602010740 /nfs/dbraw/zinc/01/07/40/602010740.db2.gz UALYIXYWOHXOQC-UHFFFAOYSA-N -2 3 279.273 1.904 20 0 CDADHL Cc1cc(=O)[n-]c(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)n1 ZINC000700431772 602313373 /nfs/dbraw/zinc/31/33/73/602313373.db2.gz OEXXRZMTRPQJAJ-SNVBAGLBSA-N -2 3 277.324 1.177 20 0 CDADHL CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1ccccc1[O-] ZINC000827010696 604392567 /nfs/dbraw/zinc/39/25/67/604392567.db2.gz IXVJVQGDVBIUGV-LLVKDONJSA-N -2 3 281.308 1.342 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]3CCC[C@@H]32)o1 ZINC000903549322 626022245 /nfs/dbraw/zinc/02/22/45/626022245.db2.gz JEMKBTLOBIJHGA-HRDYMLBCSA-N -2 3 285.321 1.445 20 0 CDADHL CC(C)(C)[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000908971396 628442374 /nfs/dbraw/zinc/44/23/74/628442374.db2.gz KEPBHMKZFWEMHC-LBPRGKRZSA-N -2 3 283.299 1.689 20 0 CDADHL CC(C)[C@H](CO)O[N-]C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000911810654 629542248 /nfs/dbraw/zinc/54/22/48/629542248.db2.gz CHZZEPZCRLYXRU-QGLTVNCISA-N -2 3 299.367 1.476 20 0 CDADHL O=C([O-])c1ccc(CCC(=O)[N-]OCC2CC2)cc1 ZINC000911811648 629543717 /nfs/dbraw/zinc/54/37/17/629543717.db2.gz VOPKEFBIBWUQLX-UHFFFAOYSA-N -2 3 263.293 1.775 20 0 CDADHL O=C(c1ccc([O-])c(F)c1)N1CCC(c2nnn[n-]2)CC1 ZINC000913744190 630742774 /nfs/dbraw/zinc/74/27/74/630742774.db2.gz DBJNOSVXQUGPNF-UHFFFAOYSA-N -2 3 291.286 1.064 20 0 CDADHL O=C(c1ccc([O-])c(F)c1)N1CCC(c2nn[n-]n2)CC1 ZINC000913744190 630742775 /nfs/dbraw/zinc/74/27/75/630742775.db2.gz DBJNOSVXQUGPNF-UHFFFAOYSA-N -2 3 291.286 1.064 20 0 CDADHL O=C(OCc1n[nH]c(=O)[n-]1)c1cc2sccc2c([O-])c1 ZINC000786140625 678065759 /nfs/dbraw/zinc/06/57/59/678065759.db2.gz FJSFUAOUKGDLQY-UHFFFAOYSA-N -2 3 291.288 1.788 20 0 CDADHL CC[C@H](C(=O)[O-])N(C)Cc1c(F)ccc([O-])c1F ZINC000844935458 678713102 /nfs/dbraw/zinc/71/31/02/678713102.db2.gz FITJZENBYRGPLQ-SECBINFHSA-N -2 3 259.252 1.965 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CC1CCCC1 ZINC000871994118 679392015 /nfs/dbraw/zinc/39/20/15/679392015.db2.gz VQHMDNBSFKXIQF-UHFFFAOYSA-N -2 3 273.310 1.446 20 0 CDADHL C[C@@](CO)(NC(=O)c1cc([O-])c2ccccc2c1)C(=O)[O-] ZINC001604193084 1163119990 /nfs/dbraw/zinc/11/99/90/1163119990.db2.gz CTWLDRARYNBQBR-HNNXBMFYSA-N -2 3 289.287 1.111 20 0 CDADHL Cc1cc(-c2nnn[n-]2)cc(NC2(CC(=O)[O-])CCC2)n1 ZINC001605532104 1163600677 /nfs/dbraw/zinc/60/06/77/1163600677.db2.gz JHKBGGRDEBDHSA-UHFFFAOYSA-N -2 3 288.311 1.379 20 0 CDADHL Cc1cc(-c2nn[n-]n2)cc(NC2(CC(=O)[O-])CCC2)n1 ZINC001605532104 1163600683 /nfs/dbraw/zinc/60/06/83/1163600683.db2.gz JHKBGGRDEBDHSA-UHFFFAOYSA-N -2 3 288.311 1.379 20 0 CDADHL Cc1ccc(-c2cc(C(=O)O[C@@H](C(=O)[O-])C3CC3)n[n-]2)o1 ZINC001607715130 1164278509 /nfs/dbraw/zinc/27/85/09/1164278509.db2.gz DFVIABBQXBAPEP-GFCCVEGCSA-N -2 3 290.275 1.998 20 0 CDADHL CC(C)C[C@H](Nc1ncc(-c2nnn[n-]2)cc1F)C(=O)[O-] ZINC001589659698 1173165719 /nfs/dbraw/zinc/16/57/19/1173165719.db2.gz HNWFDSPFYUWAIC-VIFPVBQESA-N -2 3 294.290 1.312 20 0 CDADHL CC(C)C[C@H](Nc1ncc(-c2nn[n-]n2)cc1F)C(=O)[O-] ZINC001589659698 1173165726 /nfs/dbraw/zinc/16/57/26/1173165726.db2.gz HNWFDSPFYUWAIC-VIFPVBQESA-N -2 3 294.290 1.312 20 0 CDADHL CC[C@@H](C)c1cc(=O)n(-c2ccc(-c3nnn[n-]3)cn2)[n-]1 ZINC001590401413 1173394034 /nfs/dbraw/zinc/39/40/34/1173394034.db2.gz FTFACNXVWKDDKK-MRVPVSSYSA-N -2 3 285.311 1.401 20 0 CDADHL CC[C@@H](C)c1cc(=O)n(-c2ccc(-c3nn[n-]n3)cn2)[n-]1 ZINC001590401413 1173394041 /nfs/dbraw/zinc/39/40/41/1173394041.db2.gz FTFACNXVWKDDKK-MRVPVSSYSA-N -2 3 285.311 1.401 20 0 CDADHL O=C([O-])c1ncoc1CCC(=O)[N-]Oc1ccccc1F ZINC001601296783 1174827929 /nfs/dbraw/zinc/82/79/29/1174827929.db2.gz LHTIZZGJCGUFBD-UHFFFAOYSA-N -2 3 294.238 1.555 20 0 CDADHL O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)c3c([O-])cccc3O)[C@@H]2C1 ZINC001601579295 1174906638 /nfs/dbraw/zinc/90/66/38/1174906638.db2.gz TVVZYYPQTSBQBU-KYXWUPHJSA-N -2 3 291.303 1.327 20 0 CDADHL O=C([O-])c1ccc([N-]S(=O)(=O)CCCCF)nc1 ZINC001602384758 1175230221 /nfs/dbraw/zinc/23/02/21/1175230221.db2.gz WGWBIYMLXSFRAD-UHFFFAOYSA-N -2 3 276.289 1.271 20 0 CDADHL O=C([O-])c1ccc2c(c1)CCN(C(=O)c1cc(=O)[n-]cn1)C2 ZINC001602413506 1175233588 /nfs/dbraw/zinc/23/35/88/1175233588.db2.gz BQWGTJJROPLTQR-UHFFFAOYSA-N -2 3 299.286 1.079 20 0 CDADHL C[C@H]1CCc2c(=O)n(-c3ccc(-c4nnn[n-]4)cn3)[n-]c21 ZINC001603880954 1175667540 /nfs/dbraw/zinc/66/75/40/1175667540.db2.gz IFAMAVXODLLIQT-CBAPKCEASA-N -2 3 283.295 1.010 20 0 CDADHL C[C@H]1CCc2c(=O)n(-c3ccc(-c4nn[n-]n4)cn3)[n-]c21 ZINC001603880954 1175667543 /nfs/dbraw/zinc/66/75/43/1175667543.db2.gz IFAMAVXODLLIQT-CBAPKCEASA-N -2 3 283.295 1.010 20 0 CDADHL O=C([O-])[C@H]1CCN(c2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC001606961919 1164038645 /nfs/dbraw/zinc/03/86/45/1164038645.db2.gz ZMFRZZOFIBJGSC-ZETCQYMHSA-N -2 3 293.714 1.431 20 0 CDADHL O=C([O-])[C@H]1CCN(c2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC001606961919 1164038649 /nfs/dbraw/zinc/03/86/49/1164038649.db2.gz ZMFRZZOFIBJGSC-ZETCQYMHSA-N -2 3 293.714 1.431 20 0 CDADHL CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(N)cc1[O-] ZINC001609912321 1165143289 /nfs/dbraw/zinc/14/32/89/1165143289.db2.gz HQDFNLZOXGXOGP-UHFFFAOYSA-N -2 3 280.324 1.738 20 0 CDADHL O=C([O-])c1ccc(Nc2cc(=O)[n-]c(=S)[nH]2)s1 ZINC001174804714 913357430 /nfs/dbraw/zinc/35/74/30/913357430.db2.gz ABPWVDSPCITVKZ-UHFFFAOYSA-N -2 3 269.307 1.974 20 0 CDADHL CC(=O)[C@@H](OCCP(=O)([O-])[O-])c1ccccc1 ZINC001224602669 909917663 /nfs/dbraw/zinc/91/76/63/909917663.db2.gz SGNRRWNSOYILSC-LLVKDONJSA-N -2 3 258.210 1.511 20 0 CDADHL O=C(/C=C/C(F)(F)F)NCCCCP(=O)([O-])[O-] ZINC001179930375 916072498 /nfs/dbraw/zinc/07/24/98/916072498.db2.gz FMMIRQGASATFCQ-ONEGZZNKSA-N -2 3 275.163 1.179 20 0 CDADHL COC(=O)c1ccc([N-]S(=O)(=O)C2CCC2)c([O-])c1 ZINC001188136870 920851950 /nfs/dbraw/zinc/85/19/50/920851950.db2.gz HFPXSBNPAKZSPG-UHFFFAOYSA-N -2 3 285.321 1.473 20 0 CDADHL CC1=C[C@@H](OCCCCP(=O)([O-])[O-])CC(=O)O1 ZINC001225023551 941816147 /nfs/dbraw/zinc/81/61/47/941816147.db2.gz YCGCIZJWHFKOAU-SECBINFHSA-N -2 3 264.214 1.180 20 0 CDADHL O=S(=O)(Cc1cccnc1)[N-]c1c([O-])cccc1F ZINC001197458020 925155693 /nfs/dbraw/zinc/15/56/93/925155693.db2.gz NZGBTSCGOVJZDI-UHFFFAOYSA-N -2 3 282.296 1.868 20 0 CDADHL Cc1c(O)nc2[n-]cnc(-c3ccc(F)c4[n-]ncc43)c1-2 ZINC001205319610 939881284 /nfs/dbraw/zinc/88/12/84/939881284.db2.gz LCNRAQLMKVLKDZ-ZCFIWIBFSA-N -2 3 283.266 1.619 20 0 CDADHL O=Nc1c(=O)[n-]c(=O)[nH]c1Nc1cccc(C(=O)[O-])c1F ZINC001210239159 940673799 /nfs/dbraw/zinc/67/37/99/940673799.db2.gz SUUHPHLDZNNCRJ-UHFFFAOYSA-N -2 3 294.198 1.867 20 0 CDADHL CC/C=C\CCOC(=O)[C@@H](C)OCCP(=O)([O-])[O-] ZINC001224605278 941774125 /nfs/dbraw/zinc/77/41/25/941774125.db2.gz HDYSDOPQOQZKKH-UMCURTJPSA-N -2 3 280.257 1.469 20 0 CDADHL O=P([O-])([O-])CCOC[C@H]1Cc2ccccc2O1 ZINC001224606731 941775859 /nfs/dbraw/zinc/77/58/59/941775859.db2.gz RFBCIFLJRFTBDW-SNVBAGLBSA-N -2 3 258.210 1.184 20 0 CDADHL C[C@@H](Oc1nc(=O)[n-]c(=O)[n-]1)c1cnc2ccccn21 ZINC001227567014 942189380 /nfs/dbraw/zinc/18/93/80/942189380.db2.gz LSMFWWCJGBTRNL-SSDOTTSWSA-N -2 3 273.252 1.071 20 0 CDADHL Cc1ccc2c(c1)[C@@H](Oc1nc(=O)[n-]c(=O)[n-]1)CC2 ZINC001227566463 942189948 /nfs/dbraw/zinc/18/99/48/942189948.db2.gz GIMFBULMSJDRIV-JTQLQIEISA-N -2 3 259.265 1.658 20 0 CDADHL COc1ccc([C@H](C)Oc2nc(=O)[n-]c(=O)[n-]2)cc1OC ZINC001227570480 942191223 /nfs/dbraw/zinc/19/12/23/942191223.db2.gz LISOUKMLOATTHQ-ZETCQYMHSA-N -2 3 293.279 1.440 20 0 CDADHL CCCC(=O)[C@@H](CCC)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233939535 943695858 /nfs/dbraw/zinc/69/58/58/943695858.db2.gz KYEIYXJJGAZORF-SNVBAGLBSA-N -2 3 278.312 1.563 20 0 CDADHL COc1ccc(C(=O)[O-])cc1-c1cncc(-c2nnn[n-]2)c1 ZINC001242391424 946703007 /nfs/dbraw/zinc/70/30/07/946703007.db2.gz PSCGWVXKPBWYHN-UHFFFAOYSA-N -2 3 297.274 1.636 20 0 CDADHL COc1ccc(C(=O)[O-])cc1-c1cncc(-c2nn[n-]n2)c1 ZINC001242391424 946703015 /nfs/dbraw/zinc/70/30/15/946703015.db2.gz PSCGWVXKPBWYHN-UHFFFAOYSA-N -2 3 297.274 1.636 20 0 CDADHL CCCCS(=O)(=O)[N-]c1cc([O-])ccc1C(=O)OC ZINC001253871755 952149509 /nfs/dbraw/zinc/14/95/09/952149509.db2.gz WGMFQMXRVYBBKT-UHFFFAOYSA-N -2 3 287.337 1.721 20 0 CDADHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1cc(F)cc(F)c1 ZINC001363148978 971926452 /nfs/dbraw/zinc/92/64/52/971926452.db2.gz FWYOLEFYIIBSQU-UHFFFAOYSA-N -2 3 281.218 1.096 20 0 CDADHL CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc(O)cc1[O-] ZINC000037589439 957310432 /nfs/dbraw/zinc/31/04/32/957310432.db2.gz CRZOJVNIANBXDS-QMMMGPOBSA-N -2 3 267.281 1.423 20 0 CDADHL O=C([O-])CC1(NC(=O)c2ccccc2[O-])CCCC1 ZINC000084142717 957858892 /nfs/dbraw/zinc/85/88/92/957858892.db2.gz WNIKYZJXTRVZPG-UHFFFAOYSA-N -2 3 263.293 1.910 20 0 CDADHL CC(C)(C)[C@H](C(=O)[O-])C(=O)NCc1ccc([O-])c(F)c1 ZINC001588635187 959650776 /nfs/dbraw/zinc/65/07/76/959650776.db2.gz UITXMHJKFYVCGW-NSHDSACASA-N -2 3 283.299 1.894 20 0 CDADHL Cc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccnc2)c([O-])c1 ZINC001571030321 960483280 /nfs/dbraw/zinc/48/32/80/960483280.db2.gz ZNBDRMURNJRJAC-CYBMUJFWSA-N -2 3 286.287 1.651 20 0 CDADHL CCc1cccc(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)c1[O-] ZINC001571046266 960631799 /nfs/dbraw/zinc/63/17/99/960631799.db2.gz FNFUFTYRACDDJR-SKDRFNHKSA-N -2 3 293.319 1.269 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3C[C@@H]32)oc1C(=O)[O-] ZINC001571069700 960879397 /nfs/dbraw/zinc/87/93/97/960879397.db2.gz HSCDJHKTKQCTPG-KXUCPTDWSA-N -2 3 299.348 1.753 20 0 CDADHL CC[C@H]([N-]S(=O)(=O)CCCCCC(=O)[O-])C(F)F ZINC001595307002 980463215 /nfs/dbraw/zinc/46/32/15/980463215.db2.gz SHHTTXNFURZTEU-QMMMGPOBSA-N -2 3 287.328 1.595 20 0 CDADHL CC[C@@](C)([N-]S(=O)(=O)c1occc1C(=O)[O-])C1CC1 ZINC001594853728 982115791 /nfs/dbraw/zinc/11/57/91/982115791.db2.gz JDGFBMQBSOKGGC-GFCCVEGCSA-N -2 3 287.337 1.835 20 0 CDADHL CCCCOc1ccc(C(=O)N[C@H](CF)C(=O)[O-])c([O-])c1 ZINC001595776626 982544608 /nfs/dbraw/zinc/54/46/08/982544608.db2.gz IJTFZUPNMWNDCE-LLVKDONJSA-N -2 3 299.298 1.724 20 0 CDADHL CCOCCO[N-]C(=O)Cc1ccccc1C(=O)[O-] ZINC001596937583 986053014 /nfs/dbraw/zinc/05/30/14/986053014.db2.gz FBKNNMXMWYLRNM-UHFFFAOYSA-N -2 3 267.281 1.012 20 0 CDADHL C[C@@H](C(=O)[O-])N(C(=O)c1ccccc1[O-])C1CCC1 ZINC001589478413 986994590 /nfs/dbraw/zinc/99/45/90/986994590.db2.gz JIWPAXDYCUDCJQ-VIFPVBQESA-N -2 3 263.293 1.860 20 0 CDADHL CO[C@@]1(C(=O)[O-])CCN(Cc2c(F)ccc([O-])c2F)C1 ZINC001599079036 996951397 /nfs/dbraw/zinc/95/13/97/996951397.db2.gz KYILFNKHIFKWAR-ZDUSSCGKSA-N -2 3 287.262 1.346 20 0 CDADHL COC(=O)c1cnc(SC[C@@H]2CC(C(=O)[O-])=C(C)O2)[n-]1 ZINC001598917707 997504817 /nfs/dbraw/zinc/50/48/17/997504817.db2.gz VASIQDKGSPWBOW-ZETCQYMHSA-N -2 3 298.320 1.436 20 0 CDADHL COC(=O)c1cc(C(=O)O[C@@H]2CCCC[C@H]2C(=O)[O-])c[n-]1 ZINC001598926258 997653788 /nfs/dbraw/zinc/65/37/88/997653788.db2.gz JSBHZWAFDXAJKB-MWLCHTKSSA-N -2 3 295.291 1.602 20 0 CDADHL CSC[C@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000229349105 346552222 /nfs/dbraw/zinc/55/22/22/346552222.db2.gz BWAIYWHTJQSWCY-LURJTMIESA-N -2 3 279.339 1.008 20 0 CDADHL COC(=O)c1cnc(S[C@H](C)c2nc(C)cc(=O)[n-]2)[n-]1 ZINC000274986332 365880291 /nfs/dbraw/zinc/88/02/91/365880291.db2.gz YJUCVMBEXQMDEU-SSDOTTSWSA-N -2 3 294.336 1.854 20 0 CDADHL COC(=O)c1c[n-]c(S[C@H](C)c2nc(C)cc(=O)[n-]2)n1 ZINC000274986332 365880295 /nfs/dbraw/zinc/88/02/95/365880295.db2.gz YJUCVMBEXQMDEU-SSDOTTSWSA-N -2 3 294.336 1.854 20 0 CDADHL CCC[C@H](NC(=O)c1ccc(C)c(C)c1[O-])c1nnn[n-]1 ZINC000271448449 191143428 /nfs/dbraw/zinc/14/34/28/191143428.db2.gz WUIQGTFYJFAXDN-NSHDSACASA-N -2 3 289.339 1.793 20 0 CDADHL CCC[C@H](NC(=O)c1ccc(C)c(C)c1[O-])c1nn[n-]n1 ZINC000271448449 191143429 /nfs/dbraw/zinc/14/34/29/191143429.db2.gz WUIQGTFYJFAXDN-NSHDSACASA-N -2 3 289.339 1.793 20 0 CDADHL COc1ccc([O-])c(C(=O)N(C)C[C@H](C)C(=O)[O-])c1 ZINC000042699497 357076626 /nfs/dbraw/zinc/07/66/26/357076626.db2.gz NRRVJPPSTHXFDQ-QMMMGPOBSA-N -2 3 267.281 1.194 20 0 CDADHL CC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000564920128 358201937 /nfs/dbraw/zinc/20/19/37/358201937.db2.gz SARCPRVYSMBURB-UHFFFAOYSA-N -2 3 259.283 1.056 20 0 CDADHL CC(C)C[C@@H](CNC(=O)NCc1ncccc1[O-])C(=O)[O-] ZINC000424404353 360041774 /nfs/dbraw/zinc/04/17/74/360041774.db2.gz CEEBUPNMIJARBH-JTQLQIEISA-N -2 3 295.339 1.333 20 0 CDADHL C[C@@H]1CN(C(=O)c2ccc3n[n-]nc3c2)C[C@@]1(C)C(=O)[O-] ZINC000514733318 360367505 /nfs/dbraw/zinc/36/75/05/360367505.db2.gz RWTKGFHICLPTRQ-XLKFXECMSA-N -2 3 288.307 1.141 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])sc1Cl ZINC000231806612 360483007 /nfs/dbraw/zinc/48/30/07/360483007.db2.gz CWNUZBPSROUMLU-ZCFIWIBFSA-N -2 3 297.785 1.851 20 0 CDADHL O=C([O-])Cc1cccc([N-]S(=O)(=O)[C@@H]2CCCOC2)c1 ZINC000272658495 365339472 /nfs/dbraw/zinc/33/94/72/365339472.db2.gz MLHVADWEJJWIHG-GFCCVEGCSA-N -2 3 299.348 1.234 20 0 CDADHL CCc1n[n-]c([N-]C(=O)c2ncoc2[C@@H]2CCCO2)n1 ZINC000123099132 371249018 /nfs/dbraw/zinc/24/90/18/371249018.db2.gz ZLZCGWMXDHJAKU-ZETCQYMHSA-N -2 3 277.284 1.459 20 0 CDADHL COc1cccc(C(=O)NCCC(C)(C)C(=O)[O-])c1[O-] ZINC000380189936 372321083 /nfs/dbraw/zinc/32/10/83/372321083.db2.gz BFANOXKRVDXKOM-UHFFFAOYSA-N -2 3 281.308 1.632 20 0 CDADHL Cc1cc(=O)[n-]c([C@H](C)N2CC[C@](C)(C(=O)[O-])C2)n1 ZINC000568074057 392356665 /nfs/dbraw/zinc/35/66/65/392356665.db2.gz VFRPAYOUDYOVOR-ZANVPECISA-N -2 3 265.313 1.348 20 0 CDADHL CC1(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])CCC1 ZINC000645981244 393445848 /nfs/dbraw/zinc/44/58/48/393445848.db2.gz VPDGEGFKTZMQGR-UHFFFAOYSA-N -2 3 290.366 1.310 20 0 CDADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2cccs2)o1 ZINC000094554809 289060963 /nfs/dbraw/zinc/06/09/63/289060963.db2.gz ANCJIYPPDPUTND-UHFFFAOYSA-N -2 3 287.318 1.518 20 0 CDADHL Cc1cccnc1[N-]S(=O)(=O)c1ccc([O-])cc1 ZINC000037296390 173099999 /nfs/dbraw/zinc/09/99/99/173099999.db2.gz CDLGLDNSIBTTHV-UHFFFAOYSA-N -2 3 264.306 1.896 20 0 CDADHL C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000037418177 173195566 /nfs/dbraw/zinc/19/55/66/173195566.db2.gz UFUDLOZQPDVRHO-LURJTMIESA-N -2 3 295.719 1.621 20 0 CDADHL O=C([O-])C1(NC(=O)c2ccc3n[n-]nc3c2)CCCC1 ZINC000037456309 173221360 /nfs/dbraw/zinc/22/13/60/173221360.db2.gz JPQWSKRJZNJLGS-UHFFFAOYSA-N -2 3 274.280 1.085 20 0 CDADHL CCN(C(=O)c1c[n-]c2ccccc2c1=O)[C@@H](C)C(=O)[O-] ZINC000659770782 414098057 /nfs/dbraw/zinc/09/80/57/414098057.db2.gz GZYBGXPFLPWPDG-VIFPVBQESA-N -2 3 288.303 1.463 20 0 CDADHL COCCS(=O)(=O)[N-]c1cccc(C)c1C(=O)[O-] ZINC000071171317 176051383 /nfs/dbraw/zinc/05/13/83/176051383.db2.gz PZDNINNAZUYOFP-UHFFFAOYSA-N -2 3 273.310 1.081 20 0 CDADHL CCc1ccc([O-])c(C(=O)N(CCOC)CC(=O)[O-])c1 ZINC000653536054 424252741 /nfs/dbraw/zinc/25/27/41/424252741.db2.gz JEDUYSWKMKNUMX-UHFFFAOYSA-N -2 3 281.308 1.128 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]C[C@H](CC2CC2)C(=O)[O-])o1 ZINC000650430132 424613236 /nfs/dbraw/zinc/61/32/36/424613236.db2.gz GDJWGIMGBOLFAN-JTQLQIEISA-N -2 3 287.337 1.367 20 0 CDADHL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)Cc1ccon1 ZINC000548212245 289858228 /nfs/dbraw/zinc/85/82/28/289858228.db2.gz PFCBTDZJOIIGQD-UHFFFAOYSA-N -2 3 296.304 1.623 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)o1 ZINC000561160689 293056947 /nfs/dbraw/zinc/05/69/47/293056947.db2.gz BEHKZDGNRJATCG-UHFFFAOYSA-N -2 3 287.337 1.654 20 0 CDADHL CCC(CC)C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000569217308 294175716 /nfs/dbraw/zinc/17/57/16/294175716.db2.gz CJNZBUXSHQRHQL-UHFFFAOYSA-N -2 3 292.382 1.556 20 0 CDADHL Cc1ccc([O-])c([N-]S(=O)(=O)CCOCC2CC2)c1 ZINC000570831770 294318307 /nfs/dbraw/zinc/31/83/07/294318307.db2.gz ALUIHAMAJDULDZ-UHFFFAOYSA-N -2 3 285.365 1.869 20 0 CDADHL C[C@H](C(=O)[O-])C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000263566096 298199272 /nfs/dbraw/zinc/19/92/72/298199272.db2.gz WGUYMBOWIOYYLW-IUCAKERBSA-N -2 3 263.293 1.953 20 0 CDADHL Cc1ccc(C(=O)N[C@H](C(=O)[O-])C2CCOCC2)c([O-])c1 ZINC000668307923 482367868 /nfs/dbraw/zinc/36/78/68/482367868.db2.gz PNPUQYXDIKMRQL-ZDUSSCGKSA-N -2 3 293.319 1.310 20 0 CDADHL C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cncc(F)c1 ZINC000131857940 538761836 /nfs/dbraw/zinc/76/18/36/538761836.db2.gz PHPCAVYOPHKKPJ-QMMMGPOBSA-N -2 3 290.316 1.142 20 0 CDADHL O=C([O-])NCC(=O)[N-]c1cc(-c2ccccc2F)no1 ZINC000738653213 575010561 /nfs/dbraw/zinc/01/05/61/575010561.db2.gz MOVZZPYSNSYIOB-UHFFFAOYSA-N -2 3 279.227 1.687 20 0 CDADHL O=C([O-])CC[C@H]1CCCCN1Cc1cc(C(=O)[O-])no1 ZINC001601974309 1175092612 /nfs/dbraw/zinc/09/26/12/1175092612.db2.gz AREJSYDAGFJXLO-SECBINFHSA-N -2 3 282.296 1.592 20 0 CDADHL CC[C@@](C)(CC(=O)[O-])NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000828628951 601462365 /nfs/dbraw/zinc/46/23/65/601462365.db2.gz WHORSRRTTLOGGA-AWEZNQCLSA-N -2 3 295.339 1.101 20 0 CDADHL Cc1ccc(C(=O)N[C@H](CC(=O)[O-])C2CC2)c([O-])c1 ZINC000137178849 601563358 /nfs/dbraw/zinc/56/33/58/601563358.db2.gz OSBXTUHMRJOAHL-LLVKDONJSA-N -2 3 263.293 1.684 20 0 CDADHL O=C([O-])CCCCCNC(=O)c1c([O-])cccc1O ZINC000165741170 601611075 /nfs/dbraw/zinc/61/10/75/601611075.db2.gz XTRKFCSYFGOKOD-UHFFFAOYSA-N -2 3 267.281 1.473 20 0 CDADHL CCc1ccc([O-])c(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)c1 ZINC000830254054 601759017 /nfs/dbraw/zinc/75/90/17/601759017.db2.gz SKLVGNUJJHPYEH-AWEZNQCLSA-N -2 3 281.283 1.593 20 0 CDADHL CC(C)(C)[C@H](NC(=O)c1cc2c(cc1[O-])OCO2)C(=O)[O-] ZINC000833422543 604714030 /nfs/dbraw/zinc/71/40/30/604714030.db2.gz FVUZMZPSQOFZNV-LLVKDONJSA-N -2 3 295.291 1.350 20 0 CDADHL O=C([O-])[C@H]1[C@@H]2CN(C(=O)c3cc([O-])ccc3Cl)C[C@@H]21 ZINC000910797957 618493501 /nfs/dbraw/zinc/49/35/01/618493501.db2.gz HSPGAMPFYLFHOS-JZYVYDRUSA-N -2 3 281.695 1.448 20 0 CDADHL CSc1ccc([O-])c(C(=O)NC(C)(C)C(=O)[O-])c1 ZINC000902200643 624557074 /nfs/dbraw/zinc/55/70/74/624557074.db2.gz BDLTZBWGGSZFBK-UHFFFAOYSA-N -2 3 269.322 1.707 20 0 CDADHL O=C([O-])[C@H]1CCCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000908662445 628321947 /nfs/dbraw/zinc/32/19/47/628321947.db2.gz MZXVZOLEKHNFBQ-LLVKDONJSA-N -2 3 281.283 1.540 20 0 CDADHL C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000909998698 628808172 /nfs/dbraw/zinc/80/81/72/628808172.db2.gz FDJDMCWOESJLGR-DOMZBBRYSA-N -2 3 295.310 1.833 20 0 CDADHL CC(C)[C@H](CO)O[N-]C(=O)CCc1ccccc1C(=O)[O-] ZINC000911815173 629508664 /nfs/dbraw/zinc/50/86/64/629508664.db2.gz UWYUFTDNGSJNBN-ZDUSSCGKSA-N -2 3 295.335 1.382 20 0 CDADHL O=C([O-])c1ccc(CC(=O)[N-]OCCC2CC2)cc1 ZINC000911810489 629542416 /nfs/dbraw/zinc/54/24/16/629542416.db2.gz QUBNCRYFRGQDHY-UHFFFAOYSA-N -2 3 263.293 1.775 20 0 CDADHL Cc1ccc(C(=O)NC2CC(CC(=O)[O-])C2)c([O-])c1 ZINC000718067045 684136218 /nfs/dbraw/zinc/13/62/18/684136218.db2.gz LMAZMDYVZBXSGT-UHFFFAOYSA-N -2 3 263.293 1.684 20 0 CDADHL O=C([N-]n1c(=O)[n-][nH]c1=O)c1cc2ccccc2s1 ZINC000816733212 682180935 /nfs/dbraw/zinc/18/09/35/682180935.db2.gz NKZGRGSNIQWDOK-UHFFFAOYSA-N -2 3 276.277 1.288 20 0 CDADHL CCO[N-]C(=O)CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000846489823 682542208 /nfs/dbraw/zinc/54/22/08/682542208.db2.gz DPXXICVTKFWNJM-UHFFFAOYSA-N -2 3 298.314 1.038 20 0 CDADHL O=C([O-])c1ccc(C=C2SC(=O)[N-]C2=O)cc1F ZINC000874930005 682620994 /nfs/dbraw/zinc/62/09/94/682620994.db2.gz VATCSMXSBMVSDW-YWEYNIOJSA-N -2 3 267.237 1.848 20 0 CDADHL O=C([N-]OC/C=C\Cl)c1n[n-]c2ccccc2c1=O ZINC000812405695 683306102 /nfs/dbraw/zinc/30/61/02/683306102.db2.gz FAZOEXDARPYLHX-UTCJRWHESA-N -2 3 279.683 1.749 20 0 CDADHL COc1cccc([C@@H](C)OCCP(=O)([O-])[O-])c1 ZINC001224606802 1160781907 /nfs/dbraw/zinc/78/19/07/1160781907.db2.gz SEWQQAKFISBZIN-SECBINFHSA-N -2 3 260.226 1.951 20 0 CDADHL CN(C(=O)c1ccccc1[O-])[C@@H](COC1CCC1)C(=O)[O-] ZINC001605985393 1163735884 /nfs/dbraw/zinc/73/58/84/1163735884.db2.gz KTCPTURXYXQLKL-LBPRGKRZSA-N -2 3 293.319 1.487 20 0 CDADHL COC(=O)c1[n-]cnc1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001606635369 1163942778 /nfs/dbraw/zinc/94/27/78/1163942778.db2.gz BKBNYEPPAYKDEI-SFYZADRCSA-N -2 3 295.295 1.026 20 0 CDADHL COC(=O)c1nc[n-]c1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001606635369 1163942784 /nfs/dbraw/zinc/94/27/84/1163942784.db2.gz BKBNYEPPAYKDEI-SFYZADRCSA-N -2 3 295.295 1.026 20 0 CDADHL Cc1cc(=O)[n-]c(C(C)(C)NCc2ccc(C(=O)[O-])o2)n1 ZINC001607560886 1164224728 /nfs/dbraw/zinc/22/47/28/1164224728.db2.gz OLLGJGRBQFPXLY-UHFFFAOYSA-N -2 3 291.307 1.807 20 0 CDADHL O=C([O-])[C@@H]1CO[C@H](CCC(=O)[N-]OC/C=C/Cl)C1 ZINC001608314082 1164489091 /nfs/dbraw/zinc/48/90/91/1164489091.db2.gz IVQMOHDVCJBDII-RERFFNDZSA-N -2 3 277.704 1.057 20 0 CDADHL O=C([O-])C[C@H](O)CNC(=O)c1cc([O-])c2ccccc2c1 ZINC001608676001 1164598636 /nfs/dbraw/zinc/59/86/36/1164598636.db2.gz SWQNIXGBWVRQJQ-NSHDSACASA-N -2 3 289.287 1.111 20 0 CDADHL O=C([O-])C[C@H]1CCCN(Cc2cncc(C(=O)[O-])c2)C1 ZINC001608694746 1164608500 /nfs/dbraw/zinc/60/85/00/1164608500.db2.gz WWVIIIHONOZKNW-SNVBAGLBSA-N -2 3 278.308 1.467 20 0 CDADHL CC(C)(C(=O)[O-])C(=O)COC(=O)c1ccc([O-])cc1 ZINC001609649071 1165027782 /nfs/dbraw/zinc/02/77/82/1165027782.db2.gz OVBZAPBSCUKKOS-UHFFFAOYSA-N -2 3 266.249 1.229 20 0 CDADHL C[C@@]1(C(=O)[O-])CCN(c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001590071250 1173246793 /nfs/dbraw/zinc/24/67/93/1173246793.db2.gz JRFTWPOQQWWJBN-CYBMUJFWSA-N -2 3 291.286 1.307 20 0 CDADHL C[C@@]1(C(=O)[O-])CCN(c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC001590071250 1173246798 /nfs/dbraw/zinc/24/67/98/1173246798.db2.gz JRFTWPOQQWWJBN-CYBMUJFWSA-N -2 3 291.286 1.307 20 0 CDADHL O=C([O-])c1ccnc(NC(=O)NCc2ncccc2[O-])c1 ZINC001601551731 1174898515 /nfs/dbraw/zinc/89/85/15/1174898515.db2.gz APFRXMHITXYAAM-UHFFFAOYSA-N -2 3 288.263 1.202 20 0 CDADHL O=C([O-])C12CCC(C(=O)[N-]OC/C=C/Cl)(CC1)C2 ZINC001601730670 1174973182 /nfs/dbraw/zinc/97/31/82/1174973182.db2.gz AUVCRPBSPPWQNO-LZCJLJQNSA-N -2 3 273.716 1.822 20 0 CDADHL O=C([O-])C12CCC(CC1)N2C(=O)c1ccccc1[O-] ZINC001602627091 1175330489 /nfs/dbraw/zinc/33/04/89/1175330489.db2.gz FTVSGOHUVODLIC-UHFFFAOYSA-N -2 3 261.277 1.614 20 0 CDADHL C[C@H]1CCc2c(=O)n(Cc3cccc(-c4nn[n-]n4)c3)[n-]c21 ZINC001603880829 1175667917 /nfs/dbraw/zinc/66/79/17/1175667917.db2.gz HDMVUFUTKUFXFM-CABZTGNLSA-N -2 3 296.334 1.611 20 0 CDADHL Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001610560981 1165354423 /nfs/dbraw/zinc/35/44/23/1165354423.db2.gz RYISZKBMXFTKJQ-HTQZYQBOSA-N -2 3 295.295 1.026 20 0 CDADHL O=C([N-]n1c(=O)[n-][nH]c1=O)c1cc2ccc(F)cc2s1 ZINC001636790223 1166698652 /nfs/dbraw/zinc/69/86/52/1166698652.db2.gz KYEFEQSUJPMACC-UHFFFAOYSA-N -2 3 294.267 1.427 20 0 CDADHL C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000694187483 898164209 /nfs/dbraw/zinc/16/42/09/898164209.db2.gz BMLBUPKQNPNFCR-APPZFPTMSA-N -2 3 273.310 1.445 20 0 CDADHL Cc1ccccc1OC[C@H](C)OCCP(=O)([O-])[O-] ZINC001224603509 909920131 /nfs/dbraw/zinc/92/01/31/909920131.db2.gz ZKEWSAAQFVGEIT-NSHDSACASA-N -2 3 274.253 1.957 20 0 CDADHL Cc1ccccc1OC[C@@H](C)OCCP(=O)([O-])[O-] ZINC001224603508 909922790 /nfs/dbraw/zinc/92/27/90/909922790.db2.gz ZKEWSAAQFVGEIT-LLVKDONJSA-N -2 3 274.253 1.957 20 0 CDADHL O=S(=O)([N-]c1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185568069 919658694 /nfs/dbraw/zinc/65/86/94/919658694.db2.gz LHWLSMYLUUIELT-UHFFFAOYSA-N -2 3 291.292 1.261 20 0 CDADHL O=S(=O)([N-]c1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185568069 919658698 /nfs/dbraw/zinc/65/86/98/919658698.db2.gz LHWLSMYLUUIELT-UHFFFAOYSA-N -2 3 291.292 1.261 20 0 CDADHL O=C(Nc1ncccc1[O-])c1ncc(C(F)(F)F)[n-]1 ZINC001188279039 920955914 /nfs/dbraw/zinc/95/59/14/920955914.db2.gz ZOAXRZQJKKPPHE-UHFFFAOYSA-N -2 3 272.186 1.781 20 0 CDADHL Cn1[n-]c(C(=O)Nc2ccc(F)c([O-])c2)cc1=O ZINC001194201234 924115120 /nfs/dbraw/zinc/11/51/20/924115120.db2.gz KTSDDJOBEASIEC-UHFFFAOYSA-N -2 3 251.217 1.223 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]c2cncc([O-])c2)cn1 ZINC001198272316 925392813 /nfs/dbraw/zinc/39/28/13/925392813.db2.gz KWMOQZIOKXBSGP-UHFFFAOYSA-N -2 3 265.294 1.291 20 0 CDADHL O=C(CCCc1nnn[n-]1)Nc1cc([O-])c(F)cc1F ZINC001413046915 935229843 /nfs/dbraw/zinc/22/98/43/935229843.db2.gz BPAPEXHJONMTBV-UHFFFAOYSA-N -2 3 283.238 1.145 20 0 CDADHL Cc1ncc(Nc2cc(C(=O)[O-])cnc2F)c(=O)[n-]1 ZINC001215126369 940859245 /nfs/dbraw/zinc/85/92/45/940859245.db2.gz NLTRJOQYYOKHBF-UHFFFAOYSA-N -2 3 264.216 1.467 20 0 CDADHL COC(=O)C[C@H]1CCC[C@H](OCCP(=O)([O-])[O-])C1 ZINC001224602958 941774355 /nfs/dbraw/zinc/77/43/55/941774355.db2.gz UKKCHFXJDNQEIP-UWVGGRQHSA-N -2 3 280.257 1.303 20 0 CDADHL CC(C)C[C@@H](OCCP(=O)([O-])[O-])C(=O)OC(C)C ZINC001224603770 941774710 /nfs/dbraw/zinc/77/47/10/941774710.db2.gz BRVXNGHQLWKKGM-SNVBAGLBSA-N -2 3 282.273 1.547 20 0 CDADHL O=c1nc2cn[n-]c2c(O[C@@H]2COCc3ccccc32)[n-]1 ZINC001233940376 943696797 /nfs/dbraw/zinc/69/67/97/943696797.db2.gz VXEVILDYTVUAIT-LLVKDONJSA-N -2 3 284.275 1.297 20 0 CDADHL COC(=O)c1ccc([O-])c([N-]S(=O)(=O)C2CCCC2)c1 ZINC001259801107 945639627 /nfs/dbraw/zinc/63/96/27/945639627.db2.gz UJHBRKIIKNBJNT-UHFFFAOYSA-N -2 3 299.348 1.863 20 0 CDADHL COC(=O)c1cccc([O-])c1[N-]S(=O)(=O)C(F)F ZINC001259957891 945745688 /nfs/dbraw/zinc/74/56/88/945745688.db2.gz HZEWXIUMJTZOSO-UHFFFAOYSA-N -2 3 281.236 1.143 20 0 CDADHL CC(=O)[N-]S(=O)(=O)c1ccc(-c2ccccc2[O-])nc1 ZINC001241008702 946144813 /nfs/dbraw/zinc/14/48/13/946144813.db2.gz JXVIHDISQQVUBY-UHFFFAOYSA-N -2 3 292.316 1.279 20 0 CDADHL O=C([O-])CCC[C@@H](NCc1c(F)cccc1F)C(=O)[O-] ZINC001650015188 1169609670 /nfs/dbraw/zinc/60/96/70/1169609670.db2.gz IDCKKKXQWSYGNT-LLVKDONJSA-N -2 3 287.262 1.763 20 0 CDADHL NC(=O)c1cc([O-])cc([N-]S(=O)(=O)c2cccs2)c1 ZINC001250931681 950469878 /nfs/dbraw/zinc/46/98/78/950469878.db2.gz LKMXNSAQQOKOJI-UHFFFAOYSA-N -2 3 298.345 1.353 20 0 CDADHL Cc1cc(F)c(C(=O)NCc2nc([O-])cc(=O)[n-]2)cc1F ZINC001363154844 971930958 /nfs/dbraw/zinc/93/09/58/971930958.db2.gz WQOHMAGTSHOXAP-UHFFFAOYSA-N -2 3 295.245 1.404 20 0 CDADHL CC[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000388110930 972155988 /nfs/dbraw/zinc/15/59/88/972155988.db2.gz YJUVEHYKFQHEIU-SFYZADRCSA-N -2 3 273.310 1.302 20 0 CDADHL CC(=O)c1cccc(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])c1[O-] ZINC001588533639 958909507 /nfs/dbraw/zinc/90/95/07/958909507.db2.gz BFMKDIXKRASAII-NXEZZACHSA-N -2 3 277.276 1.644 20 0 CDADHL C[C@@]1(C(=O)[O-])CCN(Cc2ccc([O-])c(F)c2F)C1 ZINC001573653490 959658842 /nfs/dbraw/zinc/65/88/42/959658842.db2.gz HSVOLRSMDYCZMF-CYBMUJFWSA-N -2 3 271.263 1.967 20 0 CDADHL C[C@@H](NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)C(=O)[O-] ZINC001574261089 960566494 /nfs/dbraw/zinc/56/64/94/960566494.db2.gz AQHCHEYHCJVGMB-RXMQYKEDSA-N -2 3 296.229 1.009 20 0 CDADHL CC[C@](COC)(NC(=O)c1ccc(C)cc1[O-])C(=O)[O-] ZINC000392876482 972537723 /nfs/dbraw/zinc/53/77/23/972537723.db2.gz MDTYROICMIMJTK-CQSZACIVSA-N -2 3 281.308 1.310 20 0 CDADHL C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CS1 ZINC000397811976 973022760 /nfs/dbraw/zinc/02/27/60/973022760.db2.gz POFPTJBIFPXAFA-RQJHMYQMSA-N -2 3 291.350 1.150 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]C2(C3CC3)CC2)c1 ZINC000697393680 976841696 /nfs/dbraw/zinc/84/16/96/976841696.db2.gz HQKDIORQUVZPAX-UHFFFAOYSA-N -2 3 271.294 1.199 20 0 CDADHL Cc1cccc([O-])c1C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC000706571022 977354992 /nfs/dbraw/zinc/35/49/92/977354992.db2.gz NXJBEYGVEQLBHV-SNVBAGLBSA-N -2 3 261.277 1.604 20 0 CDADHL C[C@H](CC(=O)[N-]OCCCC(=O)[O-])c1ccco1 ZINC001592252191 977481234 /nfs/dbraw/zinc/48/12/34/977481234.db2.gz LALGDBSTKOJXRS-SECBINFHSA-N -2 3 255.270 1.686 20 0 CDADHL CCC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001596007597 983263201 /nfs/dbraw/zinc/26/32/01/983263201.db2.gz GGRJMCQNSCQSHM-RKDXNWHRSA-N -2 3 287.337 1.753 20 0 CDADHL CN(C(=O)NCc1ccc([O-])c(F)c1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598053480 990312004 /nfs/dbraw/zinc/31/20/04/990312004.db2.gz WBMFEHYXDDWKQI-AOOOYVTPSA-N -2 3 296.298 1.536 20 0 CDADHL CC1(C(=O)[O-])CCN(Cc2cc(C(=O)[O-])co2)CC1 ZINC001593797171 996514114 /nfs/dbraw/zinc/51/41/14/996514114.db2.gz JCKYUPQWYMMUAV-UHFFFAOYSA-N -2 3 267.281 1.665 20 0 CDADHL CC[C@]1(C(=O)[O-])CCCN(Cc2cnc(C(=O)[O-])cn2)C1 ZINC001605135069 1163462196 /nfs/dbraw/zinc/46/21/96/1163462196.db2.gz HDEQIGUSSHKFAW-AWEZNQCLSA-N -2 3 293.323 1.252 20 0 CDADHL COCC[C@@H](NC(=O)c1ccc(C(C)C)cc1[O-])C(=O)[O-] ZINC001599216554 997591985 /nfs/dbraw/zinc/59/19/85/997591985.db2.gz ZSQRORICMNWATG-GFCCVEGCSA-N -2 3 295.335 1.735 20 0 CDADHL COCCC1(C(=O)[N-]OCCCC(=O)[O-])CCC1 ZINC001599216838 997597925 /nfs/dbraw/zinc/59/79/25/997597925.db2.gz QANTUDXFPHFKMX-UHFFFAOYSA-N -2 3 259.302 1.106 20 0 CDADHL CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001573671779 1170726830 /nfs/dbraw/zinc/72/68/30/1170726830.db2.gz DZRHHAGDYMXTNW-BQBZGAKWSA-N -2 3 289.357 1.129 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)n1 ZINC000569701153 362455753 /nfs/dbraw/zinc/45/57/53/362455753.db2.gz VNJDBZOPSKNBPS-LLVKDONJSA-N -2 3 291.351 1.431 20 0 CDADHL Cc1csc(S(=O)(=O)[N-][C@@H]2C=C[C@H](C(=O)[O-])C2)c1 ZINC000571616883 362703637 /nfs/dbraw/zinc/70/36/37/362703637.db2.gz IGYUCMQIBITCLL-DTWKUNHWSA-N -2 3 287.362 1.364 20 0 CDADHL CCCc1n[n-]c(=NC(=O)c2cc(C(F)F)[n-]n2)s1 ZINC000639498558 363250810 /nfs/dbraw/zinc/25/08/10/363250810.db2.gz HLEHOOFKTATYLN-UHFFFAOYSA-N -2 3 287.295 1.826 20 0 CDADHL CO[C@@H](C)CS(=O)(=O)[N-]c1cc(C)ccc1[O-] ZINC000193120215 358267045 /nfs/dbraw/zinc/26/70/45/358267045.db2.gz XDGDHTFHTXUUPC-VIFPVBQESA-N -2 3 259.327 1.477 20 0 CDADHL COc1ccc([O-])c(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC000062913568 360030113 /nfs/dbraw/zinc/03/01/13/360030113.db2.gz WRRLLUIWNZXRNU-CQSZACIVSA-N -2 3 279.292 1.338 20 0 CDADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000514792426 360379604 /nfs/dbraw/zinc/37/96/04/360379604.db2.gz KSXJXQDOTFEXFE-UHFFFAOYSA-N -2 3 275.301 1.519 20 0 CDADHL CC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000184839176 189396599 /nfs/dbraw/zinc/39/65/99/189396599.db2.gz CGJSIRLIEZJIKN-ZCFIWIBFSA-N -2 3 293.291 1.740 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])c(F)cc1F ZINC000270521905 364636874 /nfs/dbraw/zinc/63/68/74/364636874.db2.gz RWZGWHHWKHTFEX-SSDOTTSWSA-N -2 3 293.291 1.415 20 0 CDADHL CC(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1[O-] ZINC000567269708 370939570 /nfs/dbraw/zinc/93/95/70/370939570.db2.gz TUAXSIMFSCJHKK-LLVKDONJSA-N -2 3 291.303 1.532 20 0 CDADHL O=C([O-])[C@H]1CCCCCN1C(=O)c1ccc2n[n-]nc2c1 ZINC000081004043 374488665 /nfs/dbraw/zinc/48/86/65/374488665.db2.gz HSSCOWSJYIEOFS-GFCCVEGCSA-N -2 3 288.307 1.427 20 0 CDADHL C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC000130971277 375355947 /nfs/dbraw/zinc/35/59/47/375355947.db2.gz ARVNYGZHYAVXEP-APPZFPTMSA-N -2 3 289.378 1.913 20 0 CDADHL C[C@]1(C(=O)N=c2ccc([O-])n[n-]2)C[C@@H]1c1ccccc1 ZINC000521581859 393019845 /nfs/dbraw/zinc/01/98/45/393019845.db2.gz BXHQMHZEXOLFTN-ABAIWWIYSA-N -2 3 269.304 1.736 20 0 CDADHL CC[C@](C)([N-]S(=O)(=O)c1c[nH]c(C(C)C)n1)C(=O)[O-] ZINC000646008017 393471203 /nfs/dbraw/zinc/47/12/03/393471203.db2.gz NMOATNJRWYVWSN-NSHDSACASA-N -2 3 289.357 1.065 20 0 CDADHL Cc1nc(C)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)s1 ZINC000261731649 140381300 /nfs/dbraw/zinc/38/13/00/140381300.db2.gz SMPKXHUBPKCIDX-MRVPVSSYSA-N -2 3 292.382 1.147 20 0 CDADHL CC(C)[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000020304906 171141833 /nfs/dbraw/zinc/14/18/33/171141833.db2.gz AHCSHYIXEUCSNS-MRVPVSSYSA-N -2 3 289.328 1.847 20 0 CDADHL O=C([O-])[C@@H](CNC(=O)c1ccc2n[n-]nc2c1)C1CCC1 ZINC000663152111 414005600 /nfs/dbraw/zinc/00/56/00/414005600.db2.gz HUNOOMWMJNKCHB-JTQLQIEISA-N -2 3 288.307 1.189 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]C[C@@H]2CC=CCC2)oc1C(=O)[O-] ZINC000663418174 414240246 /nfs/dbraw/zinc/24/02/46/414240246.db2.gz ACWYLPSAUWYJBL-SNVBAGLBSA-N -2 3 299.348 1.921 20 0 CDADHL C[C@@H](CNC(=O)NCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000655869204 414279367 /nfs/dbraw/zinc/27/93/67/414279367.db2.gz AJVILGUECNYFRE-ZETCQYMHSA-N -2 3 270.260 1.051 20 0 CDADHL CCOC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000044414523 175172240 /nfs/dbraw/zinc/17/22/40/175172240.db2.gz BGKXQEMMJKMGIU-ZETCQYMHSA-N -2 3 293.366 1.150 20 0 CDADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc([O-])c(Cl)c1 ZINC000523561876 281097709 /nfs/dbraw/zinc/09/77/09/281097709.db2.gz FFYJJRDFBDNYQH-SECBINFHSA-N -2 3 295.726 1.287 20 0 CDADHL Cn1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)n1 ZINC000556772027 290296694 /nfs/dbraw/zinc/29/66/94/290296694.db2.gz MELFRXBKJWODAK-UHFFFAOYSA-N -2 3 271.273 1.066 20 0 CDADHL Cc1csc(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])c1 ZINC000564916635 293455281 /nfs/dbraw/zinc/45/52/81/293455281.db2.gz FCRMQGFZPJLOSH-UHFFFAOYSA-N -2 3 263.340 1.198 20 0 CDADHL CC(C)[C@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000568758774 294096122 /nfs/dbraw/zinc/09/61/22/294096122.db2.gz RSJFHKLGKAMSJD-MRVPVSSYSA-N -2 3 275.326 1.548 20 0 CDADHL CC[C@@H](Nc1nc(C)c(-c2nn[n-]n2)cc1Cl)C(=O)[O-] ZINC001590856908 1173527583 /nfs/dbraw/zinc/52/75/83/1173527583.db2.gz HBMOZRARLKBQHA-MRVPVSSYSA-N -2 3 296.718 1.499 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)c(F)c1 ZINC000577485438 317338208 /nfs/dbraw/zinc/33/82/08/317338208.db2.gz VYAVRRYLWIBKNP-KYZUINATSA-N -2 3 287.312 1.276 20 0 CDADHL COc1ccsc1S(=O)(=O)[N-]C(C)(C)CC(=O)[O-] ZINC000681682888 482959394 /nfs/dbraw/zinc/95/93/94/482959394.db2.gz XVOFEUCYUVSUGL-UHFFFAOYSA-N -2 3 293.366 1.288 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CC=CCC2)o1 ZINC000045630136 526381465 /nfs/dbraw/zinc/38/14/65/526381465.db2.gz SIXAMKJDYIEVNK-SECBINFHSA-N -2 3 285.321 1.612 20 0 CDADHL CCc1ccc([O-])c(C(=O)NCCSCCC(=O)[O-])c1 ZINC000737267773 575930394 /nfs/dbraw/zinc/93/03/94/575930394.db2.gz IZPFPJWNAOQFKW-UHFFFAOYSA-N -2 3 297.376 1.892 20 0 CDADHL Cc1cc(CO[N-]C(=O)C(C)(C)C)oc1C(=O)[O-] ZINC000738394620 576067996 /nfs/dbraw/zinc/06/79/96/576067996.db2.gz GYNYEOYUUAKOEA-UHFFFAOYSA-N -2 3 255.270 1.880 20 0 CDADHL Cc1ccc(NC(=O)[C@H](NC(=O)[O-])C(C)C)c([O-])c1 ZINC000738617374 576096073 /nfs/dbraw/zinc/09/60/73/576096073.db2.gz UHNHUZMZBPTTKT-LLVKDONJSA-N -2 3 266.297 1.931 20 0 CDADHL C[C@H]1CN(C(=O)NCc2ccc([O-])c(F)c2)C[C@@H]1C(=O)[O-] ZINC000828363618 601547026 /nfs/dbraw/zinc/54/70/26/601547026.db2.gz XFRVNSGHQVKVBK-WPRPVWTQSA-N -2 3 296.298 1.393 20 0 CDADHL COc1ccc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)c([O-])c1 ZINC000832162167 601758988 /nfs/dbraw/zinc/75/89/88/601758988.db2.gz HKYIQLYDCOOWJT-ZDUSSCGKSA-N -2 3 283.255 1.040 20 0 CDADHL Cc1ccc(C(=O)N(C)[C@@H](COC(C)C)C(=O)[O-])c([O-])c1 ZINC000832911492 604393456 /nfs/dbraw/zinc/39/34/56/604393456.db2.gz OIZZAYMNGNGUTD-LBPRGKRZSA-N -2 3 295.335 1.651 20 0 CDADHL O=C([O-])C[C@@H]1CCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000833209925 604686561 /nfs/dbraw/zinc/68/65/61/604686561.db2.gz OKEPCRPVUQCCHW-JTQLQIEISA-N -2 3 296.298 1.680 20 0 CDADHL CC[C@H](OC(=O)c1cc(-c2ccc(C)o2)[n-]n1)C(=O)[O-] ZINC000833644763 605012005 /nfs/dbraw/zinc/01/20/05/605012005.db2.gz DXKJHPRCMFEPQR-JTQLQIEISA-N -2 3 278.264 1.998 20 0 CDADHL CC1(C)C([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1(C)C ZINC000694194172 605207822 /nfs/dbraw/zinc/20/78/22/605207822.db2.gz AYUAPKLPRJLQCS-UHFFFAOYSA-N -2 3 287.337 1.691 20 0 CDADHL CC(C)(CC(=O)[O-])CC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000833456632 605220900 /nfs/dbraw/zinc/22/09/00/605220900.db2.gz SKCFOXDEVPGRMM-UHFFFAOYSA-N -2 3 294.233 1.653 20 0 CDADHL O=C([O-])[C@@H]1CCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000909640222 620532828 /nfs/dbraw/zinc/53/28/28/620532828.db2.gz QGBZGEBIYPMTTR-LBPRGKRZSA-N -2 3 295.310 1.930 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]CCC2CC=CC2)oc1C(=O)[O-] ZINC000903509667 626012487 /nfs/dbraw/zinc/01/24/87/626012487.db2.gz NPDNYUMYEVQCCU-UHFFFAOYSA-N -2 3 299.348 1.921 20 0 CDADHL O=C([O-])CC1(CC(=O)[N-]OC[C@H]2CCOC2)CCCC1 ZINC000911803853 629533375 /nfs/dbraw/zinc/53/33/75/629533375.db2.gz VTMFEVBHZBSIFE-NSHDSACASA-N -2 3 285.340 1.496 20 0 CDADHL O=C([O-])C12CCC(C(=O)[N-]OCC3CC3)(CC1)C2 ZINC000911812157 629544331 /nfs/dbraw/zinc/54/43/31/629544331.db2.gz ZRFYUYRZRCPNND-UHFFFAOYSA-N -2 3 253.298 1.479 20 0 CDADHL O=S(=O)(N=S1(=O)CCCC1)[N-]c1ccccc1[O-] ZINC000821119478 686376572 /nfs/dbraw/zinc/37/65/72/686376572.db2.gz RHBSUUMEMFDNGA-UHFFFAOYSA-N -2 3 290.366 1.311 20 0 CDADHL C[C@@H](NC(=O)c1nnc2ccccc2c1[O-])[C@H](C)C(=O)[O-] ZINC000823333661 684844345 /nfs/dbraw/zinc/84/43/45/684844345.db2.gz JHKRMYDYTXXZCS-JGVFFNPUSA-N -2 3 289.291 1.174 20 0 CDADHL Cc1[n-][nH]c(=O)c1NC(=O)c1n[n-]c2ccccc2c1=O ZINC000816740785 685095352 /nfs/dbraw/zinc/09/53/52/685095352.db2.gz NREBDBYFHUQWSV-UHFFFAOYSA-N -2 3 285.263 1.325 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]CC[C@@H]2CC[C@H]3C[C@H]32)c1 ZINC000716981237 685797594 /nfs/dbraw/zinc/79/75/94/685797594.db2.gz UFZZAOYEQPOVEB-QXEWZRGKSA-N -2 3 299.348 1.692 20 0 CDADHL C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871993369 685803818 /nfs/dbraw/zinc/80/38/18/685803818.db2.gz MFORKNYIZLFXPJ-WCBMZHEXSA-N -2 3 287.337 1.835 20 0 CDADHL O=C([N-]NC(=O)c1ccc(Cl)cc1[O-])c1ccco1 ZINC000048737500 686167039 /nfs/dbraw/zinc/16/70/39/686167039.db2.gz LFFKXRQFFCSGAB-UHFFFAOYSA-N -2 3 280.667 1.713 20 0 CDADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C[C@@H]1C=CCC1 ZINC000711709590 686330995 /nfs/dbraw/zinc/33/09/95/686330995.db2.gz ZVMNFCJLGKTYQU-SSDOTTSWSA-N -2 3 288.350 1.086 20 0 CDADHL C[C@@](NC(=O)NCc1ccc([O-])c(F)c1)(C(=O)[O-])C1CC1 ZINC000780686431 687559000 /nfs/dbraw/zinc/55/90/00/687559000.db2.gz KPKWPFSCHKOGFQ-AWEZNQCLSA-N -2 3 296.298 1.584 20 0 CDADHL O=C([N-]NC(=O)c1ccc(Cl)cc1[O-])c1ccccn1 ZINC000048737496 688143283 /nfs/dbraw/zinc/14/32/83/688143283.db2.gz CYHLVOWHZOSMRB-UHFFFAOYSA-N -2 3 291.694 1.515 20 0 CDADHL O=C([O-])[C@@H](CN=c1ncnc2[nH][n-]cc1-2)CC1CCCC1 ZINC001608539791 1164537569 /nfs/dbraw/zinc/53/75/69/1164537569.db2.gz JLWOARLWPJGNDE-SNVBAGLBSA-N -2 3 289.339 1.419 20 0 CDADHL O=C([O-])CCSCCNC(=O)c1ccc(O)cc1[O-] ZINC001608733270 1164623020 /nfs/dbraw/zinc/62/30/20/1164623020.db2.gz RCJGIECHEFJXKB-UHFFFAOYSA-N -2 3 285.321 1.036 20 0 CDADHL C/C(=C\COC(=O)c1cccc2[n-]nnc21)C(=O)[O-] ZINC001609543277 1164985692 /nfs/dbraw/zinc/98/56/92/1164985692.db2.gz ULXXSAAZVLCAMR-FNORWQNLSA-N -2 3 261.237 1.146 20 0 CDADHL C/C(=C\COC(=O)c1cccc2n[n-]nc21)C(=O)[O-] ZINC001609543277 1164985699 /nfs/dbraw/zinc/98/56/99/1164985699.db2.gz ULXXSAAZVLCAMR-FNORWQNLSA-N -2 3 261.237 1.146 20 0 CDADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H]2CCCC23CC3)c1C(=O)[O-] ZINC001574181908 1170909648 /nfs/dbraw/zinc/90/96/48/1170909648.db2.gz FQWFEBXDEBAXOP-MRVPVSSYSA-N -2 3 299.352 1.027 20 0 CDADHL CC(=Cc1cocn1)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001588771807 1173104427 /nfs/dbraw/zinc/10/44/27/1173104427.db2.gz AFVVIKKPHKIUOD-ZZXKWVIFSA-N -2 3 285.267 1.219 20 0 CDADHL CC(=Cc1cocn1)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001588771807 1173104432 /nfs/dbraw/zinc/10/44/32/1173104432.db2.gz AFVVIKKPHKIUOD-ZZXKWVIFSA-N -2 3 285.267 1.219 20 0 CDADHL C[C@H](CN(C)c1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)[O-] ZINC001589845696 1173190265 /nfs/dbraw/zinc/19/02/65/1173190265.db2.gz VTKMUVFMACRPMO-SSDOTTSWSA-N -2 3 295.730 1.677 20 0 CDADHL C[C@H](CN(C)c1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)[O-] ZINC001589845696 1173190268 /nfs/dbraw/zinc/19/02/68/1173190268.db2.gz VTKMUVFMACRPMO-SSDOTTSWSA-N -2 3 295.730 1.677 20 0 CDADHL CC(F)(F)CC(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001589906966 1173200729 /nfs/dbraw/zinc/20/07/29/1173200729.db2.gz VLVXZBKUBMLFIV-UHFFFAOYSA-N -2 3 283.238 1.322 20 0 CDADHL CC(F)(F)CC(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001589906966 1173200731 /nfs/dbraw/zinc/20/07/31/1173200731.db2.gz VLVXZBKUBMLFIV-UHFFFAOYSA-N -2 3 283.238 1.322 20 0 CDADHL CC[C@H](C(=O)[O-])N(C)c1ccc(F)cc1-c1nnn[n-]1 ZINC001590370986 1173376851 /nfs/dbraw/zinc/37/68/51/1173376851.db2.gz OBZFLNZJDZJRDU-SECBINFHSA-N -2 3 279.275 1.305 20 0 CDADHL CC[C@H](C(=O)[O-])N(C)c1ccc(F)cc1-c1nn[n-]n1 ZINC001590370986 1173376860 /nfs/dbraw/zinc/37/68/60/1173376860.db2.gz OBZFLNZJDZJRDU-SECBINFHSA-N -2 3 279.275 1.305 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]CCC(C)(F)F)oc1C(=O)[O-] ZINC001600298946 1174439986 /nfs/dbraw/zinc/43/99/86/1174439986.db2.gz NAEHHAQTHLQIDF-UHFFFAOYSA-N -2 3 297.279 1.610 20 0 CDADHL O=C([O-])c1ccc(CC(=O)[N-]OC2CCCC2)cn1 ZINC001601358808 1174844146 /nfs/dbraw/zinc/84/41/46/1174844146.db2.gz SJIPVSNYEFWJRM-UHFFFAOYSA-N -2 3 264.281 1.313 20 0 CDADHL O=C([O-])[C@H]1CN(C(=O)c2cc(=O)[n-]cn2)c2ccccc21 ZINC001601846429 1175034548 /nfs/dbraw/zinc/03/45/48/1175034548.db2.gz ZNTWMDNMUUQZTD-VIFPVBQESA-N -2 3 285.259 1.011 20 0 CDADHL O=C([O-])c1c[nH]c(=O)c([N-]C(=O)c2c(F)ccnc2F)c1 ZINC001602234710 1175175840 /nfs/dbraw/zinc/17/58/40/1175175840.db2.gz PMMTZKFZCDKZAW-UHFFFAOYSA-N -2 3 295.201 1.411 20 0 CDADHL CC(C)(C)C[C@@H](NC(=O)c1cccc2n[n-]nc21)C(=O)[O-] ZINC001603326581 1175539745 /nfs/dbraw/zinc/53/97/45/1175539745.db2.gz ARDQOGZJQFAVNQ-SNVBAGLBSA-N -2 3 290.323 1.577 20 0 CDADHL CCCCS(=O)(=O)[N-]c1ccc(C(=O)OC)cc1[O-] ZINC000170552109 1181216370 /nfs/dbraw/zinc/21/63/70/1181216370.db2.gz KDDSSURMHOOKQO-UHFFFAOYSA-N -2 3 287.337 1.721 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@H]1[C@@H]2CCC[C@@H]21 ZINC001602489137 1167823075 /nfs/dbraw/zinc/82/30/75/1167823075.db2.gz TXWHONJDPORVFQ-QMSLJYSESA-N -2 3 271.294 1.055 20 0 CDADHL Cc1nnc([N-]C(=O)c2ccc(/C=C\C(=O)[O-])o2)s1 ZINC001608019605 1167919509 /nfs/dbraw/zinc/91/95/09/1167919509.db2.gz YYIQJADCIAVVIF-HYXAFXHYSA-N -2 3 279.277 1.790 20 0 CDADHL O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000693424665 896062007 /nfs/dbraw/zinc/06/20/07/896062007.db2.gz KUHPOVDVDQIQGM-WRXNHJIOSA-N -2 3 291.275 1.106 20 0 CDADHL O=C1CCC(S(=O)(=O)[N-]c2cccc(F)c2[O-])CC1 ZINC000708196576 897179923 /nfs/dbraw/zinc/17/99/23/897179923.db2.gz CDADDOVYLQASDQ-UHFFFAOYSA-N -2 3 287.312 1.785 20 0 CDADHL Cc1cccnc1CC(=O)NCCCCP(=O)([O-])[O-] ZINC001177461344 914688758 /nfs/dbraw/zinc/68/87/58/914688758.db2.gz MGMADBKCQFUBFB-UHFFFAOYSA-N -2 3 286.268 1.007 20 0 CDADHL O=C(Nc1ccc2[nH][n-]c(=O)c2c1)c1ccncc1[O-] ZINC001188636268 921137209 /nfs/dbraw/zinc/13/72/09/921137209.db2.gz FKGRRRGYZBHQGJ-UHFFFAOYSA-N -2 3 270.248 1.621 20 0 CDADHL O=C(Nc1ccc2[n-]c(=S)sc2c1)c1cnn[n-]1 ZINC001189348437 921455572 /nfs/dbraw/zinc/45/55/72/921455572.db2.gz MARAKRAAGZCICP-UHFFFAOYSA-N -2 3 277.334 1.955 20 0 CDADHL O=C(Nc1ccc2[n-]c(=S)sc2c1)c1c[n-]nn1 ZINC001189348437 921455577 /nfs/dbraw/zinc/45/55/77/921455577.db2.gz MARAKRAAGZCICP-UHFFFAOYSA-N -2 3 277.334 1.955 20 0 CDADHL O=C(Nc1ccc2[n-]c(=S)sc2c1)c1cn[n-]n1 ZINC001189348437 921455579 /nfs/dbraw/zinc/45/55/79/921455579.db2.gz MARAKRAAGZCICP-UHFFFAOYSA-N -2 3 277.334 1.955 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])[C@H](F)c1ccccc1 ZINC001180151446 916182536 /nfs/dbraw/zinc/18/25/36/916182536.db2.gz LMVCMHXTJXFLSZ-LLVKDONJSA-N -2 3 289.243 1.771 20 0 CDADHL O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)c1cc(=O)[nH][n-]1 ZINC001193461577 923693327 /nfs/dbraw/zinc/69/33/27/923693327.db2.gz PNRBHQDYGSSYPV-UHFFFAOYSA-N -2 3 285.263 1.259 20 0 CDADHL COc1ccc(Nc2cnc[n-]c2=O)cc1C(=O)[O-] ZINC001209900273 940650963 /nfs/dbraw/zinc/65/09/63/940650963.db2.gz ALSYQGWKAAYEDT-UHFFFAOYSA-N -2 3 261.237 1.633 20 0 CDADHL C[C@H](COCCP(=O)([O-])[O-])Oc1ccccc1 ZINC001224601780 941773809 /nfs/dbraw/zinc/77/38/09/941773809.db2.gz KSONVJWUXXDTLW-SNVBAGLBSA-N -2 3 260.226 1.648 20 0 CDADHL C[C@@H]1[C@H](OCCP(=O)([O-])[O-])CN1C(=O)OC(C)(C)C ZINC001224603139 941774222 /nfs/dbraw/zinc/77/42/22/941774222.db2.gz VMHFWGFGJXSMRN-RKDXNWHRSA-N -2 3 295.272 1.189 20 0 CDADHL C[C@H]1COCC[C@H]1OCCCCP(=O)([O-])[O-] ZINC001225019309 941814471 /nfs/dbraw/zinc/81/44/71/941814471.db2.gz CJFBQSIGXAUKHQ-VHSXEESVSA-N -2 3 252.247 1.386 20 0 CDADHL CO[C@H](C)CO[C@H](C)COCCCCP(=O)([O-])[O-] ZINC001225020544 941815157 /nfs/dbraw/zinc/81/51/57/941815157.db2.gz PMHVVQLTPHQETI-GHMZBOCLSA-N -2 3 284.289 1.401 20 0 CDADHL CC1(C)C[C@@H](OCCCCP(=O)([O-])[O-])CCO1 ZINC001225018819 941815185 /nfs/dbraw/zinc/81/51/85/941815185.db2.gz ILEJKVIMZFGZFN-JTQLQIEISA-N -2 3 266.274 1.919 20 0 CDADHL Cc1ccc(OC[C@H](C)Oc2nc(=O)[n-]c(=O)[n-]2)cc1 ZINC001227571509 942190803 /nfs/dbraw/zinc/19/08/03/942190803.db2.gz VJDDDDSUZXYQON-VIFPVBQESA-N -2 3 277.280 1.438 20 0 CDADHL C[C@@H]1CC[C@H](Oc2[n-]c(=O)nc3cn[n-]c32)C[C@H]1C ZINC001233939092 943695510 /nfs/dbraw/zinc/69/55/10/943695510.db2.gz HRJDVAGDCWZWII-HLTSFMKQSA-N -2 3 262.313 1.850 20 0 CDADHL COC(=O)CS(=O)(=O)[N-]c1c([O-])ccc2ccccc21 ZINC001259025327 945470295 /nfs/dbraw/zinc/47/02/95/945470295.db2.gz RXIAMAXOPDXOQT-UHFFFAOYSA-N -2 3 295.316 1.460 20 0 CDADHL COC(=O)c1ccc([O-])c([N-]S(=O)(=O)CC(C)C)c1 ZINC001259885061 945681172 /nfs/dbraw/zinc/68/11/72/945681172.db2.gz XHARHFQMCONFPG-UHFFFAOYSA-N -2 3 287.337 1.577 20 0 CDADHL O=S(=O)([N-]c1cncc([O-])c1)c1ccccc1F ZINC001255410655 947855930 /nfs/dbraw/zinc/85/59/30/947855930.db2.gz FAUPJUDDGWPHRO-UHFFFAOYSA-N -2 3 268.269 1.727 20 0 CDADHL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000398750904 951606500 /nfs/dbraw/zinc/60/65/00/951606500.db2.gz VWHDTJSMTSEOJA-BDAKNGLRSA-N -2 3 279.292 1.281 20 0 CDADHL CC(=O)c1cccc([O-])c1[N-]S(=O)(=O)CC(F)(F)F ZINC001253193116 951792357 /nfs/dbraw/zinc/79/23/57/951792357.db2.gz FPIRHKVVTVLFDP-UHFFFAOYSA-N -2 3 297.254 1.899 20 0 CDADHL CSc1nc(=O)[n-]c(C)c1C(=O)Nc1c(C)[n-][nH]c1=O ZINC001363375923 972123149 /nfs/dbraw/zinc/12/31/49/972123149.db2.gz FVYVRLMVKYENGT-UHFFFAOYSA-N -2 3 295.324 1.202 20 0 CDADHL C[C@@H](CC(=O)[O-])NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000037457248 957301881 /nfs/dbraw/zinc/30/18/81/957301881.db2.gz LOUHUDWHKVQLQI-QMMMGPOBSA-N -2 3 274.276 1.121 20 0 CDADHL O=C([O-])c1cc(NC(=O)c2[n-]cnc2C(F)(F)F)[nH]n1 ZINC001574791148 957811199 /nfs/dbraw/zinc/81/11/99/957811199.db2.gz LIPGFNBKKYRCQH-UHFFFAOYSA-N -2 3 289.173 1.102 20 0 CDADHL O=C([O-])c1cc(NC(=O)c2nc[n-]c2C(F)(F)F)[nH]n1 ZINC001574791148 957811204 /nfs/dbraw/zinc/81/12/04/957811204.db2.gz LIPGFNBKKYRCQH-UHFFFAOYSA-N -2 3 289.173 1.102 20 0 CDADHL O=C([O-])c1cccc(NC(=O)c2cccc(O)c2[O-])c1O ZINC000126086804 958579532 /nfs/dbraw/zinc/57/95/32/958579532.db2.gz BZOZCWWIIQLVSS-UHFFFAOYSA-N -2 3 289.243 1.754 20 0 CDADHL O=C([O-])C1(CNC(=O)c2cccc(O)c2[O-])CCCCC1 ZINC000126074845 958579694 /nfs/dbraw/zinc/57/96/94/958579694.db2.gz KSQALOFLYQMUFA-UHFFFAOYSA-N -2 3 293.319 1.863 20 0 CDADHL CC(=O)c1ccc(C(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])cc1[O-] ZINC001573359857 958588030 /nfs/dbraw/zinc/58/80/30/958588030.db2.gz KYQKUVJODZGTAQ-PRHODGIISA-N -2 3 291.303 1.673 20 0 CDADHL Cc1nnc([N-]C(=O)c2csc(C(=O)[O-])n2)s1 ZINC000227275972 959943147 /nfs/dbraw/zinc/94/31/47/959943147.db2.gz VSAUAOLBTDPHSZ-UHFFFAOYSA-N -2 3 270.295 1.254 20 0 CDADHL CCC(C)(C)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000232947384 960306055 /nfs/dbraw/zinc/30/60/55/960306055.db2.gz CPNGAFKULFPMFR-UHFFFAOYSA-N -2 3 275.326 1.692 20 0 CDADHL CC(C)[C@H](C(=O)[O-])C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001588809143 961507194 /nfs/dbraw/zinc/50/71/94/961507194.db2.gz BVRULNOHKSPWCC-JTQLQIEISA-N -2 3 289.295 1.162 20 0 CDADHL CCc1ccc([O-])c(C(=O)Nc2cc(C(=O)[O-])n[nH]2)c1 ZINC001573956926 961676088 /nfs/dbraw/zinc/67/60/88/961676088.db2.gz QVKRMGMATASHEB-UHFFFAOYSA-N -2 3 275.264 1.628 20 0 CDADHL C[C@@H]1CCN(C(=O)Cc2ccc([O-])c(F)c2)C[C@H]1C(=O)[O-] ZINC001603417539 973129751 /nfs/dbraw/zinc/12/97/51/973129751.db2.gz SXJRNDDYTVILNX-MWLCHTKSSA-N -2 3 295.310 1.643 20 0 CDADHL CCOC(=O)c1ccc(NC(=O)[C@H](CC)C(=O)[O-])c([O-])c1 ZINC001596723777 984972534 /nfs/dbraw/zinc/97/25/34/984972534.db2.gz QJHALSIJPGBPEU-VIFPVBQESA-N -2 3 295.291 1.618 20 0 CDADHL C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2occc2C(=O)[O-])C1 ZINC001604700122 1163288772 /nfs/dbraw/zinc/28/87/72/1163288772.db2.gz OLEWITJUXDVBEX-BDAKNGLRSA-N -2 3 287.337 1.692 20 0 CDADHL CCOCSc1nc2nc(C)cc(C(=O)[O-])c2c(=O)[n-]1 ZINC001596945002 986079873 /nfs/dbraw/zinc/07/98/73/986079873.db2.gz BLNHCGLTARVKBT-UHFFFAOYSA-N -2 3 295.320 1.823 20 0 CDADHL COC(=O)c1cnc(SCC2(C(=O)[O-])CC2)[n-]1 ZINC001598916298 997473046 /nfs/dbraw/zinc/47/30/46/997473046.db2.gz BMRFGGJHDLMIQG-UHFFFAOYSA-N -2 3 256.283 1.153 20 0 CDADHL Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H](C)CCC(=O)[O-] ZINC000123894014 342065853 /nfs/dbraw/zinc/06/58/53/342065853.db2.gz UWWZMPOXZXKVJP-ZETCQYMHSA-N -2 3 290.341 1.071 20 0 CDADHL CC1CC([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC000163644257 342073335 /nfs/dbraw/zinc/07/33/35/342073335.db2.gz FRSHIBHLJVHJME-UHFFFAOYSA-N -2 3 275.351 1.523 20 0 CDADHL CC(C)CN(CCC(=O)[O-])C(=O)c1ccc2n[n-]nc2c1 ZINC000137929255 361961069 /nfs/dbraw/zinc/96/10/69/361961069.db2.gz WAOHXTPNORDUSO-UHFFFAOYSA-N -2 3 290.323 1.531 20 0 CDADHL CCOC(=O)c1ncc(NC(=O)c2c([O-])cccc2F)[n-]1 ZINC000619449240 349720846 /nfs/dbraw/zinc/72/08/46/349720846.db2.gz YMQINLCLVHJXPJ-UHFFFAOYSA-N -2 3 293.254 1.683 20 0 CDADHL CCOC(=O)c1nc(NC(=O)c2c([O-])cccc2F)c[n-]1 ZINC000619449240 349720848 /nfs/dbraw/zinc/72/08/48/349720848.db2.gz YMQINLCLVHJXPJ-UHFFFAOYSA-N -2 3 293.254 1.683 20 0 CDADHL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000133668561 342328231 /nfs/dbraw/zinc/32/82/31/342328231.db2.gz XQCDLLGIIIMKLH-UHFFFAOYSA-N -2 3 299.327 1.682 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]CC(F)F)sc1C(=O)[O-] ZINC000136567327 342381396 /nfs/dbraw/zinc/38/13/96/342381396.db2.gz SXUHGJWMBJANNI-UHFFFAOYSA-N -2 3 285.293 1.298 20 0 CDADHL CCC[C@H](CNC(=O)c1ccc(OC)cc1[O-])C(=O)[O-] ZINC000087489867 345718796 /nfs/dbraw/zinc/71/87/96/345718796.db2.gz NZHNESKKHWKULH-SECBINFHSA-N -2 3 281.308 1.632 20 0 CDADHL C[C@@H]1CCN(C(=O)c2ccccc2[O-])C[C@H]1C(=O)[O-] ZINC000584720855 346414754 /nfs/dbraw/zinc/41/47/54/346414754.db2.gz XHAVRKWOVFEFCU-MWLCHTKSSA-N -2 3 263.293 1.575 20 0 CDADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(C)(C)C ZINC000563225992 293318635 /nfs/dbraw/zinc/31/86/35/293318635.db2.gz LMCFYZOWLNBXHA-SSDOTTSWSA-N -2 3 275.326 1.691 20 0 CDADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@@H]1C=C[C@H](C(=O)[O-])C1 ZINC000275085115 365916568 /nfs/dbraw/zinc/91/65/68/365916568.db2.gz ZLQSKFQPONCHDJ-VHSXEESVSA-N -2 3 299.323 1.442 20 0 CDADHL Cc1ccc([O-])c(C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)c1 ZINC000263365814 357448688 /nfs/dbraw/zinc/44/86/88/357448688.db2.gz TVNHYFJSWRNIIY-WDEREUQCSA-N -2 3 277.320 1.883 20 0 CDADHL COc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)c([O-])c1 ZINC000019437336 358061808 /nfs/dbraw/zinc/06/18/08/358061808.db2.gz RTCZQGQYRKITRY-UHFFFAOYSA-N -2 3 279.292 1.338 20 0 CDADHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000277360328 366422260 /nfs/dbraw/zinc/42/22/60/366422260.db2.gz YFBXWAUCWDKWOE-MRVPVSSYSA-N -2 3 275.326 1.447 20 0 CDADHL CN(CCC(=O)[O-])C(=O)NCc1ccc([O-])c(F)c1 ZINC000263253355 359249016 /nfs/dbraw/zinc/24/90/16/359249016.db2.gz PFUYKVZTIFJFCV-UHFFFAOYSA-N -2 3 270.260 1.147 20 0 CDADHL Cc1ccc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)c([O-])c1 ZINC000263561570 366656631 /nfs/dbraw/zinc/65/66/31/366656631.db2.gz RZNGNRKZWIUFHH-WDEREUQCSA-N -2 3 263.293 1.996 20 0 CDADHL N=c1[n-]nc(CCN=c2nc(C3CCCC3)[n-]s2)o1 ZINC000567039914 370863279 /nfs/dbraw/zinc/86/32/79/370863279.db2.gz HKILCPHXFMCNPK-UHFFFAOYSA-N -2 3 280.357 1.068 20 0 CDADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1F)C(=O)[O-] ZINC000270421861 371033535 /nfs/dbraw/zinc/03/35/35/371033535.db2.gz FTHFZJIQYHFILW-SECBINFHSA-N -2 3 275.301 1.276 20 0 CDADHL CC(=O)c1ccc(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1[O-] ZINC000582487314 372324493 /nfs/dbraw/zinc/32/44/93/372324493.db2.gz OSHDOAKMVVQGKG-PRHODGIISA-N -2 3 291.303 1.388 20 0 CDADHL Cc1ccc([O-])c(C(=O)NC2(C(=O)[O-])CCCC2)c1 ZINC000036924516 373973098 /nfs/dbraw/zinc/97/30/98/373973098.db2.gz RSWMOTMHKWCGHR-UHFFFAOYSA-N -2 3 263.293 1.828 20 0 CDADHL O=S(=O)(C[C@H]1CCCO1)[N-]c1ccccc1[O-] ZINC000063156122 378263831 /nfs/dbraw/zinc/26/38/31/378263831.db2.gz VXOAOUQUIUEXNR-SECBINFHSA-N -2 3 257.311 1.313 20 0 CDADHL COC(=O)C(C)(C)CS(=O)(=O)[N-]c1ccccc1[O-] ZINC000288390684 197065947 /nfs/dbraw/zinc/06/59/47/197065947.db2.gz JSGDWLNZPHOXGO-UHFFFAOYSA-N -2 3 287.337 1.333 20 0 CDADHL CC(C)c1ccc(C(=O)N(C)Cc2n[n-]c(=O)o2)c([O-])c1 ZINC000647695238 391415481 /nfs/dbraw/zinc/41/54/81/391415481.db2.gz BOEDKPZQBFQTMF-UHFFFAOYSA-N -2 3 291.307 1.876 20 0 CDADHL CCc1ccc(C(=O)Nc2c(C)[n-][nH]c2=O)c([O-])c1 ZINC000647816417 391804638 /nfs/dbraw/zinc/80/46/38/391804638.db2.gz IALWWJBDPXOPCQ-UHFFFAOYSA-N -2 3 261.281 1.944 20 0 CDADHL CC[C@H](CS(=O)(=O)[N-]c1c(C)cccc1[O-])OC ZINC000421156239 391825418 /nfs/dbraw/zinc/82/54/18/391825418.db2.gz OWEKUDVBONZIKI-SNVBAGLBSA-N -2 3 273.354 1.867 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])o1 ZINC000646045273 391936183 /nfs/dbraw/zinc/93/61/83/391936183.db2.gz BMRZBXPSFJNROS-BDAKNGLRSA-N -2 3 273.310 1.120 20 0 CDADHL CC(C)Cc1n[n-]c(=NC(=O)c2cc(=O)cc(O)[n-]2)s1 ZINC000646625330 392599791 /nfs/dbraw/zinc/59/97/91/392599791.db2.gz RWNZEXYRBQVIPE-UHFFFAOYSA-N -2 3 294.336 1.217 20 0 CDADHL COc1ccc([O-])c([N-]S(=O)(=O)CCCCF)c1 ZINC000451024930 393056665 /nfs/dbraw/zinc/05/66/65/393056665.db2.gz ITYYBXXZPNBPRK-UHFFFAOYSA-N -2 3 277.317 1.892 20 0 CDADHL O=S(=O)([N-]c1cccc(-c2nnn[n-]2)c1)c1ccoc1 ZINC000350126566 154333815 /nfs/dbraw/zinc/33/38/15/154333815.db2.gz WCTIYWKMZJWKIL-UHFFFAOYSA-N -2 3 291.292 1.261 20 0 CDADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1ccoc1 ZINC000350126566 154333819 /nfs/dbraw/zinc/33/38/19/154333819.db2.gz WCTIYWKMZJWKIL-UHFFFAOYSA-N -2 3 291.292 1.261 20 0 CDADHL CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000020549654 171246186 /nfs/dbraw/zinc/24/61/86/171246186.db2.gz ILIUIZDRPKTLFZ-UHFFFAOYSA-N -2 3 298.147 1.990 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@]23C[C@@H]2CCC3)c1 ZINC000656717683 413594387 /nfs/dbraw/zinc/59/43/87/413594387.db2.gz KTWMIOKPPKXNNS-KWQFWETISA-N -2 3 271.294 1.199 20 0 CDADHL CC[C@@H](NC(=O)c1cc(SC)ccc1[O-])C(=O)[O-] ZINC000659761756 414084353 /nfs/dbraw/zinc/08/43/53/414084353.db2.gz RCGBVCHBTJKWNS-SECBINFHSA-N -2 3 269.322 1.707 20 0 CDADHL C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000071207418 176080724 /nfs/dbraw/zinc/08/07/24/176080724.db2.gz SJJWCXBXBNHMMV-HTQZYQBOSA-N -2 3 273.310 1.445 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CCC[C@]2(C)C(=O)[O-])n1 ZINC000652480942 424478299 /nfs/dbraw/zinc/47/82/99/424478299.db2.gz WQEWBYMIWZMUOG-CYBMUJFWSA-N -2 3 265.313 1.184 20 0 CDADHL COc1ccc([O-])c(C(=O)N2CCC(C)(C(=O)[O-])CC2)c1 ZINC000062842404 295164935 /nfs/dbraw/zinc/16/49/35/295164935.db2.gz BTDZPQOLQDDRKN-UHFFFAOYSA-N -2 3 293.319 1.728 20 0 CDADHL O=S(=O)(CCOCC1CC1)[N-]c1cccc([O-])c1F ZINC000563616119 316343526 /nfs/dbraw/zinc/34/35/26/316343526.db2.gz BCQWFSDXFSUVKL-UHFFFAOYSA-N -2 3 289.328 1.700 20 0 CDADHL O=C([O-])c1cnc(C=Cc2ccc3c(c2)CCO3)[n-]c1=O ZINC000670370031 482844902 /nfs/dbraw/zinc/84/49/02/482844902.db2.gz RTLCUXSPBIAXIA-DUXPYHPUSA-N -2 3 284.271 1.986 20 0 CDADHL CC(C)CN(CC(=O)[O-])C(=O)c1cccc([O-])c1 ZINC000062742029 519711356 /nfs/dbraw/zinc/71/13/56/519711356.db2.gz IQTDVRURCILVQW-UHFFFAOYSA-N -2 3 251.282 1.575 20 0 CDADHL COc1ccc([O-])c(C(=O)N[C@@H](CC(F)F)C(=O)[O-])c1 ZINC000261850749 536820298 /nfs/dbraw/zinc/82/02/98/536820298.db2.gz WUKJJAWUXIHVEP-QMMMGPOBSA-N -2 3 289.234 1.239 20 0 CDADHL O=C([O-])[C@@H](CF)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC001601649393 1174929360 /nfs/dbraw/zinc/92/93/60/1174929360.db2.gz ULRDZNFBYQHEGY-SSDOTTSWSA-N -2 3 299.682 1.180 20 0 CDADHL CC(C)c1ccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC000736512348 575681971 /nfs/dbraw/zinc/68/19/71/575681971.db2.gz JRIHLXWLMUGULD-CYBMUJFWSA-N -2 3 293.319 1.441 20 0 CDADHL O=C([O-])CN(C(=O)c1ccc(O)cc1[O-])C1CCCCC1 ZINC001602051622 1175119737 /nfs/dbraw/zinc/11/97/37/1175119737.db2.gz IUSPJCJHUTUKBL-UHFFFAOYSA-N -2 3 293.319 1.957 20 0 CDADHL CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C(=O)[O-])C(C)C)c1 ZINC000819788783 597392893 /nfs/dbraw/zinc/39/28/93/597392893.db2.gz NEFUOODMRLMSMZ-LBPRGKRZSA-N -2 3 294.307 1.190 20 0 CDADHL CSc1nc(NC(=O)c2ccc(C(=O)[O-])cc2)n[n-]1 ZINC000820912635 598155681 /nfs/dbraw/zinc/15/56/81/598155681.db2.gz BWNLCLTZCOHQBL-UHFFFAOYSA-N -2 3 278.293 1.477 20 0 CDADHL CC[C@](C)([N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000094220955 600443424 /nfs/dbraw/zinc/44/34/24/600443424.db2.gz NRNMCUNEQURVFV-JTQLQIEISA-N -2 3 292.744 1.267 20 0 CDADHL Cc1c(C(=O)[O-])sc2[n-]c(COC(C)C)nc(=O)c12 ZINC000832854468 600807276 /nfs/dbraw/zinc/80/72/76/600807276.db2.gz YKQCNKFFHBLJJS-UHFFFAOYSA-N -2 3 282.321 1.916 20 0 CDADHL CCc1cccc(C(=O)N2C[C@H](C)[C@H](C(=O)[O-])C2)c1[O-] ZINC000830259697 601801467 /nfs/dbraw/zinc/80/14/67/601801467.db2.gz DDIXRWBYBCAGJT-JOYOIKCWSA-N -2 3 277.320 1.747 20 0 CDADHL C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000062912583 605140460 /nfs/dbraw/zinc/14/04/60/605140460.db2.gz HGPSKSAZNPFQEV-ZDUSSCGKSA-N -2 3 265.265 1.035 20 0 CDADHL O=C([O-])[C@@H]1[C@@H]2CCN(C(=O)Cc3ccc([O-])c(F)c3)C[C@@H]21 ZINC000910846922 618534949 /nfs/dbraw/zinc/53/49/49/618534949.db2.gz RKSJHZUBBXKOIC-ISTVAULSSA-N -2 3 293.294 1.253 20 0 CDADHL CN(CC(=O)[O-])C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000908638199 628306809 /nfs/dbraw/zinc/30/68/09/628306809.db2.gz PEQRHZIPFUVJCK-UHFFFAOYSA-N -2 3 277.198 1.568 20 0 CDADHL CC(=O)c1ccc(C(=O)N(CCC(=O)[O-])C2CC2)cc1[O-] ZINC000908871368 628395610 /nfs/dbraw/zinc/39/56/10/628395610.db2.gz QHAULLXZCADVJW-UHFFFAOYSA-N -2 3 291.303 1.674 20 0 CDADHL CC(C)(O)CO[N-]C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000911806154 629537052 /nfs/dbraw/zinc/53/70/52/629537052.db2.gz DUISSXVXDKQDER-UHFFFAOYSA-N -2 3 281.308 1.136 20 0 CDADHL CC(C)(O)CO[N-]C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000911810288 629542441 /nfs/dbraw/zinc/54/24/41/629542441.db2.gz WVAKDDSHYWKXOZ-UHFFFAOYSA-N -2 3 285.340 1.230 20 0 CDADHL C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000716433461 688588143 /nfs/dbraw/zinc/58/81/43/688588143.db2.gz JVWVDOMUJHSGLL-DEKFOEGESA-N -2 3 299.348 1.548 20 0 CDADHL COc1ccc(C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c([O-])c1 ZINC000263359805 688758011 /nfs/dbraw/zinc/75/80/11/688758011.db2.gz RRXZGZPSDIWOIR-UWVGGRQHSA-N -2 3 293.319 1.584 20 0 CDADHL C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000716509299 692559583 /nfs/dbraw/zinc/55/95/83/692559583.db2.gz OPWCXZGSNLPBML-DOLQZWNJSA-N -2 3 299.348 1.548 20 0 CDADHL COc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)c([O-])c1 ZINC000092917268 693065423 /nfs/dbraw/zinc/06/54/23/693065423.db2.gz XJKIMXOJLPEAAA-SCZZXKLOSA-N -2 3 279.292 1.336 20 0 CDADHL O=C([O-])c1cccc(NC(=O)c2cccc3n[n-]nc32)c1O ZINC001608935154 1164688935 /nfs/dbraw/zinc/68/89/35/1164688935.db2.gz KPJQAVFXAFARQS-UHFFFAOYSA-N -2 3 298.258 1.614 20 0 CDADHL O=C([O-])c1ccc(NC(=O)c2cccc3n[n-]nc32)cn1 ZINC001610835178 1165459457 /nfs/dbraw/zinc/45/94/57/1165459457.db2.gz WULHFPBLGLNCLS-UHFFFAOYSA-N -2 3 283.247 1.303 20 0 CDADHL Cc1cccc([O-])c1C(=O)Nc1nnc(C(=O)[O-])s1 ZINC001574166071 1170902407 /nfs/dbraw/zinc/90/24/07/1170902407.db2.gz WMJYRNPKJPVJSD-UHFFFAOYSA-N -2 3 279.277 1.503 20 0 CDADHL CCn1ccc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)n1 ZINC001590959957 1173550310 /nfs/dbraw/zinc/55/03/10/1173550310.db2.gz XGGHEJYZRZCKNW-UHFFFAOYSA-N -2 3 299.294 1.041 20 0 CDADHL O=C([O-])C1CCC(Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001593275218 1174046253 /nfs/dbraw/zinc/04/62/53/1174046253.db2.gz VGCZUXYTTLXEGZ-UHFFFAOYSA-N -2 3 288.311 1.317 20 0 CDADHL O=C([O-])C1CCC(Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001593275218 1174046260 /nfs/dbraw/zinc/04/62/60/1174046260.db2.gz VGCZUXYTTLXEGZ-UHFFFAOYSA-N -2 3 288.311 1.317 20 0 CDADHL C[C@H](CNc1cccc(Cl)c1-c1nnn[n-]1)C(=O)[O-] ZINC000095227850 1174517367 /nfs/dbraw/zinc/51/73/67/1174517367.db2.gz OCTNVWYIWPUUAN-ZCFIWIBFSA-N -2 3 281.703 1.653 20 0 CDADHL C[C@H](CNc1cccc(Cl)c1-c1nn[n-]n1)C(=O)[O-] ZINC000095227850 1174517370 /nfs/dbraw/zinc/51/73/70/1174517370.db2.gz OCTNVWYIWPUUAN-ZCFIWIBFSA-N -2 3 281.703 1.653 20 0 CDADHL O=C([O-])COc1ccc(C(=O)Nc2ncccc2[O-])cc1 ZINC001602081548 1175127406 /nfs/dbraw/zinc/12/74/06/1175127406.db2.gz ZBSCZPIDZKSELU-UHFFFAOYSA-N -2 3 288.259 1.503 20 0 CDADHL CC(C)c1ccc(C(=O)N[C@](C)(CO)C(=O)[O-])c([O-])c1 ZINC001603997182 1175711280 /nfs/dbraw/zinc/71/12/80/1175711280.db2.gz UTBGVNGJZCFWTK-CQSZACIVSA-N -2 3 281.308 1.081 20 0 CDADHL O=C([N-]Cc1ccc(-c2nnn[n-]2)s1)C(F)(F)F ZINC001606831498 1164006945 /nfs/dbraw/zinc/00/69/45/1164006945.db2.gz LPPNBTZTMAXIKJ-UHFFFAOYSA-N -2 3 277.231 1.107 20 0 CDADHL O=C([N-]Cc1ccc(-c2nn[n-]n2)s1)C(F)(F)F ZINC001606831498 1164006948 /nfs/dbraw/zinc/00/69/48/1164006948.db2.gz LPPNBTZTMAXIKJ-UHFFFAOYSA-N -2 3 277.231 1.107 20 0 CDADHL Cc1n[nH]cc1[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001607938928 1164345345 /nfs/dbraw/zinc/34/53/45/1164345345.db2.gz GTMRMNTWMRRMJQ-UHFFFAOYSA-N -2 3 295.320 1.358 20 0 CDADHL COCc1ccc(C(=O)NCCCCP(=O)([O-])[O-])o1 ZINC001189271246 921417263 /nfs/dbraw/zinc/41/72/63/921417263.db2.gz BVUUXBUUYINTHT-UHFFFAOYSA-N -2 3 291.240 1.114 20 0 CDADHL O=P([O-])([O-])CCCCO[C@H]1CCn2ccnc21 ZINC001225022836 911599263 /nfs/dbraw/zinc/59/92/63/911599263.db2.gz SJSIGSCKDHRICZ-VIFPVBQESA-N -2 3 260.230 1.302 20 0 CDADHL COC(=O)c1ccc([N-]S(=O)(=O)CCCF)c([O-])c1 ZINC001189910761 921714057 /nfs/dbraw/zinc/71/40/57/921714057.db2.gz CGPJEDYQHQMKGT-UHFFFAOYSA-N -2 3 291.300 1.280 20 0 CDADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)C1CCC1 ZINC001188145371 920860843 /nfs/dbraw/zinc/86/08/43/920860843.db2.gz ZBWREEDAGYYLOB-UHFFFAOYSA-N -2 3 285.321 1.473 20 0 CDADHL Cc1nc(C(C)C)[n-]c(=O)c1C(=O)[N-]OC[C@H]1CCOC1 ZINC000788572502 929556389 /nfs/dbraw/zinc/55/63/89/929556389.db2.gz UMSSBXROWBKEIY-JTQLQIEISA-N -2 3 295.339 1.312 20 0 CDADHL O=C([O-])c1cc(Cl)cnc1NCCCc1c[n-][nH]c1=O ZINC001164375879 939468154 /nfs/dbraw/zinc/46/81/54/939468154.db2.gz WREUXTNBUYKETB-ZETCQYMHSA-N -2 3 296.714 1.357 20 0 CDADHL COc1ccc(C(=O)[O-])cc1Nc1cnc[n-]c1=O ZINC001210254727 940675243 /nfs/dbraw/zinc/67/52/43/940675243.db2.gz UPHVWVJGAQQNSR-UHFFFAOYSA-N -2 3 261.237 1.633 20 0 CDADHL O=C([O-])c1cc(F)c(Nc2c([O-])nc[nH]c2=O)c(F)c1 ZINC001215612518 940897304 /nfs/dbraw/zinc/89/73/04/940897304.db2.gz DSAPLMNAYXNMFU-UHFFFAOYSA-N -2 3 283.190 1.608 20 0 CDADHL Cc1cnc(F)c([C@H](C)OCCP(=O)([O-])[O-])c1 ZINC001224601120 941774297 /nfs/dbraw/zinc/77/42/97/941774297.db2.gz DNTDCJSDXHDEQJ-QMMMGPOBSA-N -2 3 263.205 1.784 20 0 CDADHL O=P([O-])([O-])CCCCOC1CCC2(CC1)OCCO2 ZINC001225023550 941816293 /nfs/dbraw/zinc/81/62/93/941816293.db2.gz XZQXYESBFHAMLR-UHFFFAOYSA-N -2 3 294.284 1.647 20 0 CDADHL O=c1nc(O[C@H]2CCCc3cccnc32)[n-]c(=O)[n-]1 ZINC001227569203 942190618 /nfs/dbraw/zinc/19/06/18/942190618.db2.gz VHRJRIUPYJFOFI-QMMMGPOBSA-N -2 3 260.253 1.134 20 0 CDADHL CCCCC[C@H](C)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233934299 943693631 /nfs/dbraw/zinc/69/36/31/943693631.db2.gz IYZWFBHDESSVDW-QMMMGPOBSA-N -2 3 250.302 1.994 20 0 CDADHL O=C([O-])c1ccc(-c2cc(-c3nnn[n-]3)ccc2F)cn1 ZINC001242338289 946681989 /nfs/dbraw/zinc/68/19/89/946681989.db2.gz SOOSALMGPYUOCT-UHFFFAOYSA-N -2 3 285.238 1.766 20 0 CDADHL O=C([O-])c1ccc(-c2cc(-c3nn[n-]n3)ccc2F)cn1 ZINC001242338289 946681993 /nfs/dbraw/zinc/68/19/93/946681993.db2.gz SOOSALMGPYUOCT-UHFFFAOYSA-N -2 3 285.238 1.766 20 0 CDADHL COc1cc(C)sc1C(=O)NCc1nc([O-])cc(=O)[n-]1 ZINC001362721305 971559111 /nfs/dbraw/zinc/55/91/11/971559111.db2.gz SYSAARQMKFTOCQ-UHFFFAOYSA-N -2 3 295.320 1.196 20 0 CDADHL CCCS(=O)(=O)[N-]c1cc([O-])ccc1C(=O)OC ZINC001253715488 952058600 /nfs/dbraw/zinc/05/86/00/952058600.db2.gz IEOOTEZOSYFZJL-UHFFFAOYSA-N -2 3 273.310 1.331 20 0 CDADHL CCC(CC)(NC(=O)c1ccc([O-])c(F)c1)c1nnn[n-]1 ZINC001363137350 971916685 /nfs/dbraw/zinc/91/66/85/971916685.db2.gz QYCHRTOWQOAODQ-UHFFFAOYSA-N -2 3 293.302 1.490 20 0 CDADHL CCC(CC)(NC(=O)c1ccc([O-])c(F)c1)c1nn[n-]n1 ZINC001363137350 971916689 /nfs/dbraw/zinc/91/66/89/971916689.db2.gz QYCHRTOWQOAODQ-UHFFFAOYSA-N -2 3 293.302 1.490 20 0 CDADHL CON(C(=O)c1ccc(C)c(C)c1[O-])[C@@H](C)C(=O)[O-] ZINC001594039887 957855848 /nfs/dbraw/zinc/85/58/48/957855848.db2.gz QONUNXRMUFBEIS-VIFPVBQESA-N -2 3 267.281 1.486 20 0 CDADHL Cc1nc(NC[C@H](C(=O)[O-])c2ccccc2)cc(=O)[n-]1 ZINC000163147148 959227471 /nfs/dbraw/zinc/22/74/71/959227471.db2.gz NPZDZJNMHBANJT-NSHDSACASA-N -2 3 273.292 1.771 20 0 CDADHL O=C([O-])c1cc(C(=O)Nc2cccc([O-])c2F)on1 ZINC001570987811 963129742 /nfs/dbraw/zinc/12/97/42/963129742.db2.gz XYZPRPFZXAFEIJ-UHFFFAOYSA-N -2 3 266.184 1.470 20 0 CDADHL C[C@@](O)(CNC(=O)c1cc([O-])c2ccccc2c1)C(=O)[O-] ZINC001593407381 970108096 /nfs/dbraw/zinc/10/80/96/970108096.db2.gz NUVPESSPKLYTQM-OAHLLOKOSA-N -2 3 289.287 1.111 20 0 CDADHL CSc1cccnc1[N-]C(=O)c1cnc(C(=O)[O-])cn1 ZINC001604970896 972556481 /nfs/dbraw/zinc/55/64/81/972556481.db2.gz AGHWQDRSDGASLJ-UHFFFAOYSA-N -2 3 290.304 1.544 20 0 CDADHL Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ncccc2[O-])n1 ZINC001418285859 973726230 /nfs/dbraw/zinc/72/62/30/973726230.db2.gz ZOGMTDIWVBJDPO-UHFFFAOYSA-N -2 3 288.307 1.256 20 0 CDADHL O=C([O-])C1=CC[C@H](NC(=O)c2cc([O-])ccc2Cl)C1 ZINC000695012835 976766202 /nfs/dbraw/zinc/76/62/02/976766202.db2.gz DGWDEKLLCIVXKB-QMMMGPOBSA-N -2 3 281.695 1.949 20 0 CDADHL C[C@@H](CN(C(=O)c1ccc(N)cc1[O-])C1CC1)C(=O)[O-] ZINC001592562759 978451163 /nfs/dbraw/zinc/45/11/63/978451163.db2.gz KHJHDYSDKIEVSV-QMMMGPOBSA-N -2 3 278.308 1.300 20 0 CDADHL CCc1ccc(C(=O)NC[C@]2(C(=O)[O-])CCOC2)c([O-])c1 ZINC001597501216 988067205 /nfs/dbraw/zinc/06/72/05/988067205.db2.gz ZNOXIVBQUOTARX-OAHLLOKOSA-N -2 3 293.319 1.176 20 0 CDADHL CC(C)(C)C[C@H](OC(=O)c1cncc([O-])c1)C(=O)[O-] ZINC001589761967 988095156 /nfs/dbraw/zinc/09/51/56/988095156.db2.gz SVMOYKNNPLEJME-JTQLQIEISA-N -2 3 267.281 1.833 20 0 CDADHL CN(Cc1nc(=O)c2sccc2[n-]1)[C@H](C(=O)[O-])C1CC1 ZINC001598538297 992868178 /nfs/dbraw/zinc/86/81/78/992868178.db2.gz NNGZRRXIDBNQMN-JTQLQIEISA-N -2 3 293.348 1.692 20 0 CDADHL COc1cc(C(=O)[O-])ccc1NC(=O)c1cc(=O)[n-]cn1 ZINC001599374845 998469932 /nfs/dbraw/zinc/46/99/32/998469932.db2.gz XWJYYGUJPSOYJX-UHFFFAOYSA-N -2 3 289.247 1.141 20 0 CDADHL CC1(C)C[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000232945434 342035055 /nfs/dbraw/zinc/03/50/55/342035055.db2.gz JZAIXIOGCHYAON-MRVPVSSYSA-N -2 3 289.378 1.771 20 0 CDADHL C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134708658 342071256 /nfs/dbraw/zinc/07/12/56/342071256.db2.gz GDYWVIDLNBSXND-RQJHMYQMSA-N -2 3 290.366 1.308 20 0 CDADHL COCC1(S(=O)(=O)[N-]c2cc(Cl)ccc2[O-])CC1 ZINC000641682973 365721814 /nfs/dbraw/zinc/72/18/14/365721814.db2.gz KMBMMYZTAKVQMH-UHFFFAOYSA-N -2 3 291.756 1.966 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CC[C@@](C)(C(=O)[O-])C2)n1 ZINC000563290322 293336170 /nfs/dbraw/zinc/33/61/70/293336170.db2.gz SNAXJCBDHPXEJC-CYBMUJFWSA-N -2 3 265.313 1.041 20 0 CDADHL C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccccc1[O-] ZINC000263516395 357537885 /nfs/dbraw/zinc/53/78/85/357537885.db2.gz OWRIRQMDMCZROL-VHSXEESVSA-N -2 3 263.293 1.718 20 0 CDADHL Cc1ccc([N-]S(=O)(=O)CCOC(C)C)c([O-])c1 ZINC000093666432 358623991 /nfs/dbraw/zinc/62/39/91/358623991.db2.gz FUDCOQQFVMNWNV-UHFFFAOYSA-N -2 3 273.354 1.867 20 0 CDADHL CC(C)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000034937904 358647573 /nfs/dbraw/zinc/64/75/73/358647573.db2.gz HZFUMUOPRQZEDN-ZETCQYMHSA-N -2 3 277.367 1.769 20 0 CDADHL CCc1cc(=O)[n-]c(CN2C[C@H](C(=O)[O-])CC[C@@H]2C)n1 ZINC000567857990 359045284 /nfs/dbraw/zinc/04/52/84/359045284.db2.gz RRCFZJTVPRRTBC-VHSXEESVSA-N -2 3 279.340 1.430 20 0 CDADHL CC[C@@H](CS(=O)(=O)[N-]c1cccc(C)c1[O-])OC ZINC000643269539 359279577 /nfs/dbraw/zinc/27/95/77/359279577.db2.gz WGZIYDFEAFRGMC-JTQLQIEISA-N -2 3 273.354 1.867 20 0 CDADHL Cc1nc(C)c(S(=O)(=O)[N-][C@@H](C)[C@H](C)C(=O)[O-])s1 ZINC000564178758 316430106 /nfs/dbraw/zinc/43/01/06/316430106.db2.gz PCPFQUILIHDOFZ-WDSKDSINSA-N -2 3 292.382 1.147 20 0 CDADHL CC(C)C[C@@H](C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000514860983 360389252 /nfs/dbraw/zinc/38/92/52/360389252.db2.gz SRBKIICSMBQYBV-SSDOTTSWSA-N -2 3 292.382 1.554 20 0 CDADHL CC(C)c1ccc(C(=O)NC(C)(C)c2nnn[n-]2)c([O-])c1 ZINC000436592941 361538280 /nfs/dbraw/zinc/53/82/80/361538280.db2.gz ZOTUHZAVAXASIT-UHFFFAOYSA-N -2 3 289.339 1.694 20 0 CDADHL CC(C)c1ccc(C(=O)NC(C)(C)c2nn[n-]n2)c([O-])c1 ZINC000436592941 361538282 /nfs/dbraw/zinc/53/82/82/361538282.db2.gz ZOTUHZAVAXASIT-UHFFFAOYSA-N -2 3 289.339 1.694 20 0 CDADHL Cc1oc(C[N-]S(=O)(=O)c2ccco2)cc1C(=O)[O-] ZINC000542858127 368841265 /nfs/dbraw/zinc/84/12/65/368841265.db2.gz IDFKRHSFBBWOGX-UHFFFAOYSA-N -2 3 285.277 1.358 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]C2CCCCC2)cc1C(=O)[O-] ZINC000581129454 372840667 /nfs/dbraw/zinc/84/06/67/372840667.db2.gz VLPMDPCJMANTEL-UHFFFAOYSA-N -2 3 287.337 1.897 20 0 CDADHL Cc1[n-][nH]c(=O)c1CCN=c1nc(C(C)(C)C)[n-]s1 ZINC000547960092 374540894 /nfs/dbraw/zinc/54/08/94/374540894.db2.gz IYAPOSZWAXPZNT-QMMMGPOBSA-N -2 3 281.385 1.181 20 0 CDADHL CCC(CC)(C[N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000137652526 375802642 /nfs/dbraw/zinc/80/26/42/375802642.db2.gz OFYVZQJHNPWXIO-UHFFFAOYSA-N -2 3 291.394 1.917 20 0 CDADHL COc1ccc(C(=O)N[C@@H]2CCC[C@@]2(C)C(=O)[O-])c([O-])c1 ZINC000164565348 375918553 /nfs/dbraw/zinc/91/85/53/375918553.db2.gz JRHKMVRQNIGIQT-IUODEOHRSA-N -2 3 293.319 1.774 20 0 CDADHL CCC[C@H](NC(=O)Cc1ccc([O-])c(F)c1)c1nnn[n-]1 ZINC000450118704 251140317 /nfs/dbraw/zinc/14/03/17/251140317.db2.gz ATQJDTWTCWLQRE-JTQLQIEISA-N -2 3 293.302 1.245 20 0 CDADHL CCC[C@H](NC(=O)Cc1ccc([O-])c(F)c1)c1nn[n-]n1 ZINC000450118704 251140319 /nfs/dbraw/zinc/14/03/19/251140319.db2.gz ATQJDTWTCWLQRE-JTQLQIEISA-N -2 3 293.302 1.245 20 0 CDADHL CC[C@@H](CS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1)OC ZINC000421142402 391824285 /nfs/dbraw/zinc/82/42/85/391824285.db2.gz RCSSXGJBOCEVFT-NSHDSACASA-N -2 3 287.337 1.552 20 0 CDADHL CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1)C(=O)[O-] ZINC000650231524 397798364 /nfs/dbraw/zinc/79/83/64/397798364.db2.gz RLJGEAJRPZAZEY-VIFPVBQESA-N -2 3 295.719 1.621 20 0 CDADHL FC(F)(F)c1nnc(CN=c2nc(C3CC3)[n-]s2)[n-]1 ZINC000359685755 158335478 /nfs/dbraw/zinc/33/54/78/158335478.db2.gz KZLGVLLLSYWNTN-UHFFFAOYSA-N -2 3 290.274 1.586 20 0 CDADHL FC(F)(F)c1nc(CN=c2nc(C3CC3)[n-]s2)n[n-]1 ZINC000359685755 158335480 /nfs/dbraw/zinc/33/54/80/158335480.db2.gz KZLGVLLLSYWNTN-UHFFFAOYSA-N -2 3 290.274 1.586 20 0 CDADHL FC(F)(F)c1n[n-]c(CN=c2nc(C3CC3)[n-]s2)n1 ZINC000359685755 158335483 /nfs/dbraw/zinc/33/54/83/158335483.db2.gz KZLGVLLLSYWNTN-UHFFFAOYSA-N -2 3 290.274 1.586 20 0 CDADHL CCc1cc(C(=O)NC(C)(C)c2nnn[n-]2)ccc1[O-] ZINC000362817637 159245025 /nfs/dbraw/zinc/24/50/25/159245025.db2.gz MZTFEYHVZJUNRU-UHFFFAOYSA-N -2 3 275.312 1.133 20 0 CDADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2ccccn2)c1 ZINC000020547277 171244598 /nfs/dbraw/zinc/24/45/98/171244598.db2.gz YYBFKICIOPUJHR-UHFFFAOYSA-N -2 3 298.345 1.320 20 0 CDADHL CC(C)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000020547775 171245030 /nfs/dbraw/zinc/24/50/30/171245030.db2.gz LYAHMPQNMNFPGC-UHFFFAOYSA-N -2 3 277.367 1.771 20 0 CDADHL CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000020560643 171251987 /nfs/dbraw/zinc/25/19/87/171251987.db2.gz NATNPZRCAAFHEY-SSDOTTSWSA-N -2 3 277.367 1.913 20 0 CDADHL CCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000036838298 172742332 /nfs/dbraw/zinc/74/23/32/172742332.db2.gz CNVKPGYQQHANPD-LURJTMIESA-N -2 3 297.785 1.933 20 0 CDADHL CC(C)[C@H](CNC(=O)NCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000655870283 414282390 /nfs/dbraw/zinc/28/23/90/414282390.db2.gz RMJFOMANPZIFII-JTQLQIEISA-N -2 3 298.314 1.687 20 0 CDADHL Cc1cccc([N-]S(=O)(=O)C[C@@H]2CCCO2)c1C(=O)[O-] ZINC000071171160 176051518 /nfs/dbraw/zinc/05/15/18/176051518.db2.gz AGJBLOKTYDYNDO-JTQLQIEISA-N -2 3 299.348 1.614 20 0 CDADHL CCC(CC)(NC(=O)c1cc(OC)ccc1[O-])C(=O)[O-] ZINC000094240396 265230769 /nfs/dbraw/zinc/23/07/69/265230769.db2.gz VEWVGAJZESEDIX-UHFFFAOYSA-N -2 3 281.308 1.774 20 0 CDADHL Cc1ccc(-c2nc([N-]C(=O)c3snnc3C)n[n-]2)o1 ZINC000190566590 270284022 /nfs/dbraw/zinc/28/40/22/270284022.db2.gz DWGVPWNUZBVHLB-UHFFFAOYSA-N -2 3 290.308 1.785 20 0 CDADHL CC[C@H](CNc1cc(C)nc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001590445638 1173410783 /nfs/dbraw/zinc/41/07/83/1173410783.db2.gz GZBGYDYTYCDUIW-MRVPVSSYSA-N -2 3 276.300 1.093 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@@H]2CC=CCC2)c1 ZINC000574396844 294993466 /nfs/dbraw/zinc/99/34/66/294993466.db2.gz KAZLMRYPCRMXQF-SECBINFHSA-N -2 3 285.321 1.612 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2C=CCCC2)c1 ZINC000566175909 316502415 /nfs/dbraw/zinc/50/24/15/316502415.db2.gz DCLALRYWGUQHJX-SECBINFHSA-N -2 3 271.294 1.365 20 0 CDADHL CC[C@H](C[N-]S(=O)(=O)c1sc(C)nc1C)C(=O)[O-] ZINC000681570443 482912620 /nfs/dbraw/zinc/91/26/20/482912620.db2.gz GMMQASQRCZBDOO-MRVPVSSYSA-N -2 3 292.382 1.149 20 0 CDADHL O=C([O-])C1([N-]S(=O)(=O)c2ccco2)CCCCC1 ZINC000669446984 483144230 /nfs/dbraw/zinc/14/42/30/483144230.db2.gz OYOZIMZPPUDJIX-UHFFFAOYSA-N -2 3 273.310 1.345 20 0 CDADHL COc1ccc([O-])c(C(=O)N2C[C@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000111251694 524727450 /nfs/dbraw/zinc/72/74/50/524727450.db2.gz LVZBTXAMVBBUDT-KCJUWKMLSA-N -2 3 279.292 1.194 20 0 CDADHL CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c([O-])c1 ZINC000737154810 575833225 /nfs/dbraw/zinc/83/32/25/575833225.db2.gz DIOGDQOLOAPENC-BDAKNGLRSA-N -2 3 293.275 1.228 20 0 CDADHL CCOC(=O)c1ccc(NC(=O)CCNC(=O)[O-])c([O-])c1 ZINC000737154857 575833227 /nfs/dbraw/zinc/83/32/27/575833227.db2.gz DXJJWVHUNFNXGY-UHFFFAOYSA-N -2 3 296.279 1.165 20 0 CDADHL Cc1[n-]ncc1S(=O)(=O)Oc1ccccc1C(=O)[O-] ZINC000738170762 576046454 /nfs/dbraw/zinc/04/64/54/576046454.db2.gz NMLUQMYLYMGEAT-UHFFFAOYSA-N -2 3 282.277 1.184 20 0 CDADHL Cc1cc([N-]C(=O)c2nonc2C)sc1C(=O)[O-] ZINC000738240583 576052522 /nfs/dbraw/zinc/05/25/22/576052522.db2.gz QFEYIQAYCWKTSY-UHFFFAOYSA-N -2 3 267.266 1.698 20 0 CDADHL Cc1nc(C(C)C)[n-]c(=O)c1C(=O)[N-]OCC(F)F ZINC000760146191 576461328 /nfs/dbraw/zinc/46/13/28/576461328.db2.gz FUDZCTBPRXVWOG-UHFFFAOYSA-N -2 3 275.255 1.541 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)c1c(F)ccc(F)c1F ZINC001601994569 1175103786 /nfs/dbraw/zinc/10/37/86/1175103786.db2.gz FEKFDTJSRGFVBX-UHFFFAOYSA-N -2 3 277.198 1.630 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)C[C@@H]1CCC2(CCC2)O1 ZINC001601995306 1175105347 /nfs/dbraw/zinc/10/53/47/1175105347.db2.gz OYQOJCFMKLLVTI-JTQLQIEISA-N -2 3 271.313 1.391 20 0 CDADHL O=C([O-])c1ccc(C(=O)Nc2cccc([O-])c2F)[nH]1 ZINC001602325125 1175205595 /nfs/dbraw/zinc/20/55/95/1175205595.db2.gz QOBYSAZENQVIBO-UHFFFAOYSA-N -2 3 264.212 1.810 20 0 CDADHL CC(C)N(CCC(=O)[O-])C(=O)c1ccccc1[O-] ZINC000037584871 600559760 /nfs/dbraw/zinc/55/97/60/600559760.db2.gz XSGXXAAWKLBHJM-UHFFFAOYSA-N -2 3 251.282 1.718 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]C(C)(C)C2CC2)cc1C(=O)[O-] ZINC000833027087 601222668 /nfs/dbraw/zinc/22/26/68/601222668.db2.gz BGBCWVXKINFRIE-UHFFFAOYSA-N -2 3 287.337 1.753 20 0 CDADHL O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccc(Cl)cc2[O-])O1 ZINC000901605911 624370940 /nfs/dbraw/zinc/37/09/40/624370940.db2.gz WTLOMHTZGWUBSU-ZJUUUORDSA-N -2 3 285.683 1.616 20 0 CDADHL O=C([O-])C1(C(=O)Nc2cccc([O-])c2F)CCC1 ZINC000911431484 629280881 /nfs/dbraw/zinc/28/08/81/629280881.db2.gz WHXSGMUECUGFOB-UHFFFAOYSA-N -2 3 253.229 1.725 20 0 CDADHL Cc1cccc(CO[N-]C(=O)C[C@H](C)CC(=O)[O-])n1 ZINC000911820937 629549221 /nfs/dbraw/zinc/54/92/21/629549221.db2.gz FATCTIQALNVVQH-VIFPVBQESA-N -2 3 266.297 1.439 20 0 CDADHL O=C(c1c([O-])cccc1F)N1CCC(c2nnn[n-]2)CC1 ZINC000913744422 630743140 /nfs/dbraw/zinc/74/31/40/630743140.db2.gz NKWRAJMNYHYDJI-UHFFFAOYSA-N -2 3 291.286 1.064 20 0 CDADHL O=C(c1c([O-])cccc1F)N1CCC(c2nn[n-]n2)CC1 ZINC000913744422 630743142 /nfs/dbraw/zinc/74/31/42/630743142.db2.gz NKWRAJMNYHYDJI-UHFFFAOYSA-N -2 3 291.286 1.064 20 0 CDADHL CC(C)[C@H](NC(=O)c1cc([O-])ccc1Cl)C(=O)[O-] ZINC000232716324 695341087 /nfs/dbraw/zinc/34/10/87/695341087.db2.gz XHLAXAHEHBAPTL-JTQLQIEISA-N -2 3 271.700 1.885 20 0 CDADHL C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(N)cc1[O-] ZINC000844936650 695374874 /nfs/dbraw/zinc/37/48/74/695374874.db2.gz YHHLTFOUZKZVML-RKDXNWHRSA-N -2 3 278.308 1.300 20 0 CDADHL N#Cc1ccc([O-])c(NC(=O)c2ccc(O)cc2[O-])c1 ZINC000182913684 695378016 /nfs/dbraw/zinc/37/80/16/695378016.db2.gz ZOJPLBJKRUMVHY-UHFFFAOYSA-N -2 3 270.244 1.927 20 0 CDADHL O=C(NCCCc1cc(=O)[nH][n-]1)c1cccc(Cl)c1[O-] ZINC000854486221 695870637 /nfs/dbraw/zinc/87/06/37/695870637.db2.gz QXKWNYSUCZBZHJ-UHFFFAOYSA-N -2 3 295.726 1.432 20 0 CDADHL O=C([N-]OCc1ccccc1)C(=O)c1ccc([O-])cc1 ZINC000798157565 695872229 /nfs/dbraw/zinc/87/22/29/695872229.db2.gz LPIXAGZJCZXQIJ-UHFFFAOYSA-N -2 3 271.272 1.823 20 0 CDADHL Cc1nc(N[C@H]2CC[C@@H](C(=O)[O-])C2)ccc1-c1nn[n-]n1 ZINC001606077944 1163766916 /nfs/dbraw/zinc/76/69/16/1163766916.db2.gz FCRUSAWSMYHJAB-BDAKNGLRSA-N -2 3 288.311 1.235 20 0 CDADHL O=C(Nc1ccccc1F)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001606940189 1164035282 /nfs/dbraw/zinc/03/52/82/1164035282.db2.gz JCRRCCDIUDOMKL-UHFFFAOYSA-N -2 3 299.265 1.964 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]c2ccc[nH]c2=O)cc1C(=O)[O-] ZINC001608056654 1164396083 /nfs/dbraw/zinc/39/60/83/1164396083.db2.gz BXXQAIURGHIRIX-UHFFFAOYSA-N -2 3 298.276 1.188 20 0 CDADHL O=C([O-])[C@H]1CCC[C@@H]1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC001608410282 1164510737 /nfs/dbraw/zinc/51/07/37/1164510737.db2.gz QZNAAIGANXMIRS-CBAPKCEASA-N -2 3 293.275 1.104 20 0 CDADHL COc1cc(C(=O)N(C)C(C)(C)C(=O)[O-])cc(OC)c1[O-] ZINC001610278693 1165283581 /nfs/dbraw/zinc/28/35/81/1165283581.db2.gz JCZFFGBHUVXART-UHFFFAOYSA-N -2 3 297.307 1.345 20 0 CDADHL CC[C@H](C)[C@H](Nc1ccc(-c2nn[n-]n2)c(C)n1)C(=O)[O-] ZINC001590867684 1173534509 /nfs/dbraw/zinc/53/45/09/1173534509.db2.gz NHCFHTRBOJZBEU-CPCISQLKSA-N -2 3 290.327 1.481 20 0 CDADHL CS[C@@H](C)C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001591686888 1173679767 /nfs/dbraw/zinc/67/97/67/1173679767.db2.gz MQVZLJQGFMUIEE-ZETCQYMHSA-N -2 3 279.325 1.028 20 0 CDADHL CS[C@@H](C)C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001591686888 1173679771 /nfs/dbraw/zinc/67/97/71/1173679771.db2.gz MQVZLJQGFMUIEE-ZETCQYMHSA-N -2 3 279.325 1.028 20 0 CDADHL O=C([O-])C1CN(c2cccc(C(F)F)c2-c2nnn[n-]2)C1 ZINC001593275873 1174046291 /nfs/dbraw/zinc/04/62/91/1174046291.db2.gz FZHLBIACAAONHJ-UHFFFAOYSA-N -2 3 295.249 1.325 20 0 CDADHL O=C([O-])C1CN(c2cccc(C(F)F)c2-c2nn[n-]n2)C1 ZINC001593275873 1174046297 /nfs/dbraw/zinc/04/62/97/1174046297.db2.gz FZHLBIACAAONHJ-UHFFFAOYSA-N -2 3 295.249 1.325 20 0 CDADHL O=C([O-])[C@@H]1CCC[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1 ZINC001593279769 1174047993 /nfs/dbraw/zinc/04/79/93/1174047993.db2.gz XVJUDWRNITUAKM-MNOVXSKESA-N -2 3 273.296 1.532 20 0 CDADHL O=c1cc(C2CCC2)[n-]n1Cc1cccc(-c2nn[n-]n2)c1 ZINC001593383531 1174072564 /nfs/dbraw/zinc/07/25/64/1174072564.db2.gz XXKQOKLQRNHQMG-UHFFFAOYSA-N -2 3 296.334 1.755 20 0 CDADHL O=C([O-])[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000095219053 1174513127 /nfs/dbraw/zinc/51/31/27/1174513127.db2.gz GMAREZVNFAAQAU-SECBINFHSA-N -2 3 291.286 1.307 20 0 CDADHL O=C([O-])c1ccc(CC(=O)[N-]OCc2ccccc2)cn1 ZINC001601358172 1174844700 /nfs/dbraw/zinc/84/47/00/1174844700.db2.gz JYLDHIMBJMYDAA-UHFFFAOYSA-N -2 3 286.287 1.570 20 0 CDADHL O=C([O-])c1nc(C(=O)[N-]c2nnc(C3CC3)s2)cs1 ZINC001601634123 1174918059 /nfs/dbraw/zinc/91/80/59/1174918059.db2.gz HFVHKQVGLWAEBA-UHFFFAOYSA-N -2 3 296.333 1.823 20 0 CDADHL O=C([O-])C1=NO[C@]2(CCN(Cc3ccc([O-])c(F)c3)C2)C1 ZINC001601747043 1174981626 /nfs/dbraw/zinc/98/16/26/1174981626.db2.gz XFKPFLZPNWRFIO-CQSZACIVSA-N -2 3 294.282 1.337 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001602488389 1175261264 /nfs/dbraw/zinc/26/12/64/1175261264.db2.gz GMUQMFAUBFIWDF-FKTZTGRPSA-N -2 3 285.321 1.445 20 0 CDADHL COC[C@](C)(NC(=O)c1cc([O-])ccc1Cl)C(=O)[O-] ZINC000381325889 725416131 /nfs/dbraw/zinc/41/61/31/725416131.db2.gz VFEAPZSQHIHKMR-LBPRGKRZSA-N -2 3 287.699 1.265 20 0 CDADHL CC(C)(O)CON=c1ccc(Cl)c(-c2nnn[n-]2)[n-]1 ZINC001609085385 1164762995 /nfs/dbraw/zinc/76/29/95/1164762995.db2.gz UELGSFGFKAPYGD-UHFFFAOYSA-N -2 3 284.707 1.030 20 0 CDADHL CCc1nnc([N-]c2cnn(CC(=O)[O-])c2)s1 ZINC001176264374 914028552 /nfs/dbraw/zinc/02/85/52/914028552.db2.gz NAUUSVYRVGGDRV-UHFFFAOYSA-N -2 3 253.287 1.125 20 0 CDADHL O=C([O-])Cn1cc(Nc2cc(F)c([O-])c(F)c2)cn1 ZINC001176269372 914044374 /nfs/dbraw/zinc/04/43/74/914044374.db2.gz FEXJEVJNEJRVRI-UHFFFAOYSA-N -2 3 269.207 1.695 20 0 CDADHL C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000694187488 898164387 /nfs/dbraw/zinc/16/43/87/898164387.db2.gz BMLBUPKQNPNFCR-IONNQARKSA-N -2 3 273.310 1.445 20 0 CDADHL CCOC(=O)[C@@H](OCCP(=O)([O-])[O-])c1ccccc1 ZINC001224607972 909937419 /nfs/dbraw/zinc/93/74/19/909937419.db2.gz XJJIUOVWLXXINO-NSHDSACASA-N -2 3 288.236 1.485 20 0 CDADHL O=S(=O)(CCCF)[N-]c1c([O-])cccc1F ZINC001189906687 921708636 /nfs/dbraw/zinc/70/86/36/921708636.db2.gz RTLLLUJRWHNMHA-UHFFFAOYSA-N -2 3 251.254 1.633 20 0 CDADHL O=S(=O)([N-]c1ncc([O-])cc1Cl)c1ccncc1 ZINC001190863238 922268324 /nfs/dbraw/zinc/26/83/24/922268324.db2.gz YIPOOXGHOSCVBD-UHFFFAOYSA-N -2 3 285.712 1.636 20 0 CDADHL F[C@@H]1COCC[C@H]1Oc1nc2ncnc-2c([S-])[n-]1 ZINC001226780860 942067610 /nfs/dbraw/zinc/06/76/10/942067610.db2.gz BVCNUPYGPRDTSF-PHDIDXHHSA-N -2 3 270.289 1.147 20 0 CDADHL O=c1nc(O[C@@H]2CCOc3ccccc32)[n-]c(=O)[n-]1 ZINC001227566508 942189538 /nfs/dbraw/zinc/18/95/38/942189538.db2.gz GXKAQIBFADKFOF-SECBINFHSA-N -2 3 261.237 1.185 20 0 CDADHL C[C@@H](CC(=O)[O-])Nc1cccc(F)c1-c1nnn[n-]1 ZINC000095241508 944619495 /nfs/dbraw/zinc/61/94/95/944619495.db2.gz VGRABWPBDYTBOA-LURJTMIESA-N -2 3 265.248 1.281 20 0 CDADHL C[C@@H](CC(=O)[O-])Nc1cccc(F)c1-c1nn[n-]n1 ZINC000095241508 944619501 /nfs/dbraw/zinc/61/95/01/944619501.db2.gz VGRABWPBDYTBOA-LURJTMIESA-N -2 3 265.248 1.281 20 0 CDADHL CC[C@@H](C)S(=O)(=O)[N-]c1ccc(C(=O)OC)cc1[O-] ZINC001260738766 945884635 /nfs/dbraw/zinc/88/46/35/945884635.db2.gz PWNQDDFZXSTFBO-MRVPVSSYSA-N -2 3 287.337 1.719 20 0 CDADHL Cc1c(C(=O)[O-])cccc1-c1cncc(-c2nnn[n-]2)c1 ZINC001245298558 947627637 /nfs/dbraw/zinc/62/76/37/947627637.db2.gz CRQRRPWNARWPNS-UHFFFAOYSA-N -2 3 281.275 1.935 20 0 CDADHL Cc1c(C(=O)[O-])cccc1-c1cncc(-c2nn[n-]n2)c1 ZINC001245298558 947627644 /nfs/dbraw/zinc/62/76/44/947627644.db2.gz CRQRRPWNARWPNS-UHFFFAOYSA-N -2 3 281.275 1.935 20 0 CDADHL CCS(=O)(=O)[N-]c1nc2c(cccc2[O-])s1 ZINC001253260521 951831643 /nfs/dbraw/zinc/83/16/43/951831643.db2.gz AMJJCIJESBKMJI-UHFFFAOYSA-N -2 3 258.324 1.764 20 0 CDADHL CN(CC(=O)[O-])C(=O)c1cc([O-])c2ccccc2c1 ZINC001593721011 954252538 /nfs/dbraw/zinc/25/25/38/954252538.db2.gz AMXZYOAUESSTQR-UHFFFAOYSA-N -2 3 259.261 1.702 20 0 CDADHL Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2cccnc2)c([O-])c1 ZINC001571030322 960482298 /nfs/dbraw/zinc/48/22/98/960482298.db2.gz ZNBDRMURNJRJAC-ZDUSSCGKSA-N -2 3 286.287 1.651 20 0 CDADHL O=C([O-])c1coc(CNC(=O)c2cc([O-])ccc2Cl)n1 ZINC001571062166 960782770 /nfs/dbraw/zinc/78/27/70/960782770.db2.gz UWLVNXRIAJMRFW-UHFFFAOYSA-N -2 3 296.666 1.662 20 0 CDADHL O=C([O-])[C@H]1CCN(Cc2ccc([O-])c(F)c2F)C1 ZINC001574355441 961000541 /nfs/dbraw/zinc/00/05/41/961000541.db2.gz CROQXVCSLUZCEN-QMMMGPOBSA-N -2 3 257.236 1.577 20 0 CDADHL CSc1cc(C)c(C(=O)NCc2nc([O-])cc(=O)[n-]2)o1 ZINC001434232406 961103471 /nfs/dbraw/zinc/10/34/71/961103471.db2.gz QPCCCAFWULYYRN-UHFFFAOYSA-N -2 3 295.320 1.441 20 0 CDADHL Cc1ccc(-c2nc(NC(=O)[C@H]3CC[C@H]3C(=O)[O-])n[n-]2)o1 ZINC001574149431 962641831 /nfs/dbraw/zinc/64/18/31/962641831.db2.gz LPPICOAICHNBJC-JGVFFNPUSA-N -2 3 290.279 1.422 20 0 CDADHL Cn1[n-]c(C(=O)Nc2cccc([O-])c2F)cc1=O ZINC001446242554 966493563 /nfs/dbraw/zinc/49/35/63/966493563.db2.gz SJFIJZBDKGQPRR-UHFFFAOYSA-N -2 3 251.217 1.223 20 0 CDADHL CCc1ccc(C(=O)N(C)CCC(=O)[O-])c([O-])c1 ZINC001610423319 970741919 /nfs/dbraw/zinc/74/19/19/970741919.db2.gz DCBRIIWOLDAJJD-UHFFFAOYSA-N -2 3 251.282 1.501 20 0 CDADHL CC[C@H](C(=O)[O-])N(C)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC001603492443 973438128 /nfs/dbraw/zinc/43/81/28/973438128.db2.gz PIEAVEMJVJLSOL-SECBINFHSA-N -2 3 297.307 1.345 20 0 CDADHL C[C@@H](CC(=O)[O-])C(=O)[N-]OCCOc1ccccc1 ZINC001592359742 977843615 /nfs/dbraw/zinc/84/36/15/977843615.db2.gz KXJVADZLKITAHX-JTQLQIEISA-N -2 3 267.281 1.224 20 0 CDADHL CC[C@](C)(NC(=O)c1cc(OC)c([O-])c(OC)c1)C(=O)[O-] ZINC001594841634 982056428 /nfs/dbraw/zinc/05/64/28/982056428.db2.gz FGGHLNBMPUXAIL-AWEZNQCLSA-N -2 3 297.307 1.393 20 0 CDADHL CCc1ccc(C(=O)NC[C@@H]2CCO[C@@H]2C(=O)[O-])c([O-])c1 ZINC001597500894 988061187 /nfs/dbraw/zinc/06/11/87/988061187.db2.gz BNKFPMHZLXRXPS-GWCFXTLKSA-N -2 3 293.319 1.174 20 0 CDADHL CCc1oc(CN2CCC[C@@H](C(=O)[O-])C2)cc1C(=O)[O-] ZINC001597799073 989377975 /nfs/dbraw/zinc/37/79/75/989377975.db2.gz LURBKKMSYRLVQL-SECBINFHSA-N -2 3 281.308 1.837 20 0 CDADHL CC(C)(C)OC(=O)c1cc(NC(=O)[C@H]2C[C@H]2C(=O)[O-])[n-]n1 ZINC001590363362 989821784 /nfs/dbraw/zinc/82/17/84/989821784.db2.gz VGQHSEBSXCNZTE-NKWVEPMBSA-N -2 3 295.295 1.024 20 0 CDADHL CC(C)(C)OC(=O)c1cc(NC(=O)[C@H]2C[C@H]2C(=O)[O-])n[n-]1 ZINC001590363362 989821790 /nfs/dbraw/zinc/82/17/90/989821790.db2.gz VGQHSEBSXCNZTE-NKWVEPMBSA-N -2 3 295.295 1.024 20 0 CDADHL COc1ccc(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)c([O-])c1 ZINC001599485887 996847656 /nfs/dbraw/zinc/84/76/56/996847656.db2.gz NXCDZYSWMZXCJY-OLBFVZFUSA-N -2 3 291.303 1.384 20 0 CDADHL COC(=O)c1cnc(SCc2ccoc2C(=O)[O-])[n-]1 ZINC001598917911 997509475 /nfs/dbraw/zinc/50/94/75/997509475.db2.gz WSNMNCKUDNRWJX-UHFFFAOYSA-N -2 3 282.277 1.780 20 0 CDADHL COC(=O)c1c[n-]c(SCc2ccoc2C(=O)[O-])n1 ZINC001598917911 997509486 /nfs/dbraw/zinc/50/94/86/997509486.db2.gz WSNMNCKUDNRWJX-UHFFFAOYSA-N -2 3 282.277 1.780 20 0 CDADHL CCC[C@](C)(NC(=O)Cc1c(C)nc(C)[n-]c1=O)C(=O)[O-] ZINC001605198377 1163483727 /nfs/dbraw/zinc/48/37/27/1163483727.db2.gz OBUOHTTWBHKTPO-AWEZNQCLSA-N -2 3 295.339 1.101 20 0 CDADHL Cc1c(C(=O)[O-])csc1NC(=O)c1cc(=O)[n-]cn1 ZINC001600003156 1174336969 /nfs/dbraw/zinc/33/69/69/1174336969.db2.gz HLWJVSSOEYXOEZ-UHFFFAOYSA-N -2 3 279.277 1.503 20 0 CDADHL CC(C)Cc1nc(=NC(=O)Cc2cncc([O-])c2)s[n-]1 ZINC000618349773 342487117 /nfs/dbraw/zinc/48/71/17/342487117.db2.gz CFWQKBOIVWZHPZ-UHFFFAOYSA-N -2 3 292.364 1.440 20 0 CDADHL C[C@@H]([N-]S(=O)(=O)c1ccccc1F)[C@H](C)C(=O)[O-] ZINC000133159529 342069889 /nfs/dbraw/zinc/06/98/89/342069889.db2.gz WGVRYCMGFPELNV-JGVFFNPUSA-N -2 3 275.301 1.213 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@@H]2C=C[C@H](C(=O)[O-])C2)c(F)c1 ZINC000404997628 361853643 /nfs/dbraw/zinc/85/36/43/361853643.db2.gz HSSYQBMXEMWYQO-VHSXEESVSA-N -2 3 299.323 1.442 20 0 CDADHL Cc1ccc(C(=O)NCC(C)(C)C(=O)[O-])c([O-])c1 ZINC000137458165 361925846 /nfs/dbraw/zinc/92/58/46/361925846.db2.gz WVNIUYJSGUHRFA-UHFFFAOYSA-N -2 3 251.282 1.541 20 0 CDADHL Cc1cccc(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])c1F ZINC000313231099 539029175 /nfs/dbraw/zinc/02/91/75/539029175.db2.gz BVKIRTLKZOCPCY-UHFFFAOYSA-N -2 3 289.328 1.666 20 0 CDADHL O=C([O-])C1(C[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000138951513 342443244 /nfs/dbraw/zinc/44/32/44/342443244.db2.gz UQVGHDKVKUBEBS-UHFFFAOYSA-N -2 3 295.769 1.545 20 0 CDADHL CCC[C@H](C[N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000564781102 293412642 /nfs/dbraw/zinc/41/26/42/293412642.db2.gz QPLFCWBTAPPRSP-MRVPVSSYSA-N -2 3 261.299 1.059 20 0 CDADHL CCc1cc(C(=O)N(C)C[C@H](C)c2nnn[n-]2)ccc1[O-] ZINC000291777303 198088449 /nfs/dbraw/zinc/08/84/49/198088449.db2.gz WXKHKNXPRPFUOH-VIFPVBQESA-N -2 3 289.339 1.343 20 0 CDADHL CCCN(CC(=O)[O-])Cc1nc(=O)c2sccc2[n-]1 ZINC000037979892 283113280 /nfs/dbraw/zinc/11/32/80/283113280.db2.gz XHUHJAATZLVLAC-UHFFFAOYSA-N -2 3 281.337 1.281 20 0 CDADHL COc1cccc(C(=O)N[C@@H](C(=O)[O-])C(C)C)c1[O-] ZINC000019519163 356489805 /nfs/dbraw/zinc/48/98/05/356489805.db2.gz HHOFFCXYXPCPSV-SNVBAGLBSA-N -2 3 267.281 1.240 20 0 CDADHL Cc1ncc(CN=c2[n-]nc(C(F)(F)F)s2)c(=O)[n-]1 ZINC000580318112 366367383 /nfs/dbraw/zinc/36/73/83/366367383.db2.gz OXDIFBRAZHEKGC-UHFFFAOYSA-N -2 3 291.258 1.395 20 0 CDADHL CCCN(CC(=O)[O-])C(=O)c1cccc(OC)c1[O-] ZINC000038019604 359476762 /nfs/dbraw/zinc/47/67/62/359476762.db2.gz FKVYPRLIMRMLFO-UHFFFAOYSA-N -2 3 267.281 1.338 20 0 CDADHL Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1c([O-])cccc1F ZINC000436798824 361577267 /nfs/dbraw/zinc/57/72/67/361577267.db2.gz VUZULMJIZAEESW-UHFFFAOYSA-N -2 3 279.227 1.293 20 0 CDADHL CC(C)CO[N-]C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000283813399 368394995 /nfs/dbraw/zinc/39/49/95/368394995.db2.gz XOHFTFBFASQXGH-UHFFFAOYSA-N -2 3 266.326 1.335 20 0 CDADHL CCc1n[n-]c([N-]C(=O)c2ncoc2[C@H]2CCCO2)n1 ZINC000123099374 371248409 /nfs/dbraw/zinc/24/84/09/371248409.db2.gz ZLZCGWMXDHJAKU-SSDOTTSWSA-N -2 3 277.284 1.459 20 0 CDADHL CCc1ccc([O-])c(C(=O)N[C@H](C(=O)[O-])C(C)C)c1 ZINC000263577810 371353187 /nfs/dbraw/zinc/35/31/87/371353187.db2.gz RXFPRTWUNVLECJ-LBPRGKRZSA-N -2 3 265.309 1.794 20 0 CDADHL COc1ccc([O-])c(C(=O)NCC2(C(=O)[O-])CCC2)c1 ZINC000166651884 371454756 /nfs/dbraw/zinc/45/47/56/371454756.db2.gz VHBXOXAFLJVMBX-UHFFFAOYSA-N -2 3 279.292 1.386 20 0 CDADHL CCC[C@H]([N-]S(=O)(=O)c1cccc(C)c1F)C(=O)[O-] ZINC000262503681 190056702 /nfs/dbraw/zinc/05/67/02/190056702.db2.gz ZOCQYTSBNFJMMB-VIFPVBQESA-N -2 3 289.328 1.666 20 0 CDADHL CC[C@H](CS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1)OC ZINC000421142401 391824294 /nfs/dbraw/zinc/82/42/94/391824294.db2.gz RCSSXGJBOCEVFT-LLVKDONJSA-N -2 3 287.337 1.552 20 0 CDADHL C[C@H](CN(C(=O)c1ccc2n[n-]nc2c1)C1CC1)C(=O)[O-] ZINC000180226079 148144062 /nfs/dbraw/zinc/14/40/62/148144062.db2.gz IYZQAKNDVCRQSC-MRVPVSSYSA-N -2 3 288.307 1.283 20 0 CDADHL CCc1ncc(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)s1 ZINC000262397362 149058615 /nfs/dbraw/zinc/05/86/15/149058615.db2.gz JMEGPQICOBHBHP-VIFPVBQESA-N -2 3 292.382 1.093 20 0 CDADHL Cc1csc(S(=O)(=O)[N-]CC(C)(C)CC(=O)[O-])c1 ZINC000654769968 413696856 /nfs/dbraw/zinc/69/68/56/413696856.db2.gz LAYAGNRTZMEDRI-UHFFFAOYSA-N -2 3 291.394 1.836 20 0 CDADHL C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000037413265 173189511 /nfs/dbraw/zinc/18/95/11/173189511.db2.gz YWYRROLBYIJCAP-LURJTMIESA-N -2 3 279.264 1.106 20 0 CDADHL C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000037463827 173225600 /nfs/dbraw/zinc/22/56/00/173225600.db2.gz QZDJZQITJFVPQC-LURJTMIESA-N -2 3 295.719 1.621 20 0 CDADHL CSc1ccc([O-])c(C(=O)NCCCC(=O)[O-])c1 ZINC000659762122 414084302 /nfs/dbraw/zinc/08/43/02/414084302.db2.gz BJMZYZHTNQGEQJ-UHFFFAOYSA-N -2 3 269.322 1.709 20 0 CDADHL CSc1ccc([O-])c(C(=O)NC[C@H](C)C(=O)[O-])c1 ZINC000659766088 414091696 /nfs/dbraw/zinc/09/16/96/414091696.db2.gz HSSIUUOHMWWQAC-ZETCQYMHSA-N -2 3 269.322 1.565 20 0 CDADHL CC1(C)C[C@]1(C)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000663448347 414259469 /nfs/dbraw/zinc/25/94/69/414259469.db2.gz QAFUDPKKRYADSW-JTQLQIEISA-N -2 3 290.366 1.308 20 0 CDADHL CC1(C)C[C@@]1(C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000663448420 423819898 /nfs/dbraw/zinc/81/98/98/423819898.db2.gz SBUFRUOFJPBNEU-LLVKDONJSA-N -2 3 273.310 1.445 20 0 CDADHL CC(C)(C)C[C@H](NC(=O)c1ccc2n[n-]nc2c1)C(=O)[O-] ZINC000401324880 424451927 /nfs/dbraw/zinc/45/19/27/424451927.db2.gz AYUVCWLBRBOXNZ-NSHDSACASA-N -2 3 290.323 1.577 20 0 CDADHL Cc1[n-][nH]c(=O)c1Sc1ccc(C)cc1-c1nnn[n-]1 ZINC001590161492 1173278404 /nfs/dbraw/zinc/27/84/04/1173278404.db2.gz NNGHKIBBSFEZBN-SNVBAGLBSA-N -2 3 288.336 1.142 20 0 CDADHL Cc1[n-][nH]c(=O)c1Sc1ccc(C)cc1-c1nn[n-]n1 ZINC001590161492 1173278408 /nfs/dbraw/zinc/27/84/08/1173278408.db2.gz NNGHKIBBSFEZBN-SNVBAGLBSA-N -2 3 288.336 1.142 20 0 CDADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(C)c(C)c1[O-] ZINC000523560968 281097866 /nfs/dbraw/zinc/09/78/66/281097866.db2.gz OIQLYEKOZGAGHL-NSHDSACASA-N -2 3 289.335 1.251 20 0 CDADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2C=C[C@H](C(=O)[O-])C2)c1 ZINC000092181556 289051663 /nfs/dbraw/zinc/05/16/63/289051663.db2.gz HAFRGNLJICIWFI-VHSXEESVSA-N -2 3 299.323 1.442 20 0 CDADHL COc1ccc([O-])c(C(=O)N=c2cc3ccccn3[n-]2)c1 ZINC000557527649 290350126 /nfs/dbraw/zinc/35/01/26/290350126.db2.gz QUMZMSUFYTXXOK-UHFFFAOYSA-N -2 3 283.287 1.723 20 0 CDADHL CCc1cc(=O)[n-]c(CN(C)C(C)(C)C(=O)[O-])n1 ZINC000574525687 295013978 /nfs/dbraw/zinc/01/39/78/295013978.db2.gz UDKVMANFQBGWFR-UHFFFAOYSA-N -2 3 253.302 1.040 20 0 CDADHL COc1ccc(C(=O)N(CC(=O)[O-])CC2CC2)c([O-])c1 ZINC000036884179 482540050 /nfs/dbraw/zinc/54/00/50/482540050.db2.gz RBNKBFKHYKDWMX-UHFFFAOYSA-N -2 3 279.292 1.338 20 0 CDADHL COC(C)(C)CS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000339206187 522497283 /nfs/dbraw/zinc/49/72/83/522497283.db2.gz YGDCCQLCCUENCR-UHFFFAOYSA-N -2 3 287.337 1.552 20 0 CDADHL Cc1cc(F)c(S(=O)(=O)[N-]CCF)cc1C(=O)[O-] ZINC001600228189 1174417285 /nfs/dbraw/zinc/41/72/85/1174417285.db2.gz VEDXAEQGSHMNBV-UHFFFAOYSA-N -2 3 279.264 1.080 20 0 CDADHL O=C([O-])c1ccn(CCCC(=O)[N-]OC/C=C\Cl)n1 ZINC001601273561 1174821054 /nfs/dbraw/zinc/82/10/54/1174821054.db2.gz GCMWRLJRMKLRKA-DJWKRKHSSA-N -2 3 287.703 1.162 20 0 CDADHL CSc1ccsc1C(=O)[N-]c1n[nH]c(CC(=O)[O-])n1 ZINC000738211360 576049247 /nfs/dbraw/zinc/04/92/47/576049247.db2.gz VOMZQJYYTYPGPZ-UHFFFAOYSA-N -2 3 298.349 1.468 20 0 CDADHL Cc1cc(=O)[n-]c(CN(C)Cc2ccc(C(=O)[O-])cc2)n1 ZINC000832899582 602310985 /nfs/dbraw/zinc/31/09/85/602310985.db2.gz QKXKRSMEPARIBM-UHFFFAOYSA-N -2 3 287.319 1.821 20 0 CDADHL C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC000903026524 625803582 /nfs/dbraw/zinc/80/35/82/625803582.db2.gz QNZPSHVSSSGKNP-RNFRBKRXSA-N -2 3 290.366 1.308 20 0 CDADHL Cc1cc(F)c(CN[C@H](CC(=O)[O-])C(=O)[O-])c(Cl)c1 ZINC000904053661 626183156 /nfs/dbraw/zinc/18/31/56/626183156.db2.gz RLUJDKOGEQOBMK-SNVBAGLBSA-N -2 3 289.690 1.805 20 0 CDADHL C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000909798645 628666963 /nfs/dbraw/zinc/66/69/63/628666963.db2.gz JDAYXGQGIISLHU-WCBMZHEXSA-N -2 3 281.283 1.395 20 0 CDADHL Cc1ccc(C(=O)N2CC([C@H](F)C(=O)[O-])C2)c([O-])c1 ZINC000910132621 628874417 /nfs/dbraw/zinc/87/44/17/628874417.db2.gz OSXBRLCWYIGKKO-NSHDSACASA-N -2 3 267.256 1.195 20 0 CDADHL CCCO[N-]C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001604230189 1163129972 /nfs/dbraw/zinc/12/99/72/1163129972.db2.gz NTFQHEKBGRMUPJ-SECBINFHSA-N -2 3 291.311 1.092 20 0 CDADHL CCCO[N-]C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001604230189 1163129976 /nfs/dbraw/zinc/12/99/76/1163129976.db2.gz NTFQHEKBGRMUPJ-SECBINFHSA-N -2 3 291.311 1.092 20 0 CDADHL CCc1cccc(C(=O)N2CCSC[C@H]2C(=O)[O-])c1[O-] ZINC001605826057 1163680998 /nfs/dbraw/zinc/68/09/98/1163680998.db2.gz TXYWSBOKNHIARE-NSHDSACASA-N -2 3 295.360 1.597 20 0 CDADHL COC(=O)c1nc[n-]c1NC(=O)c1oc(C(=O)[O-])cc1C ZINC001606636085 1163942240 /nfs/dbraw/zinc/94/22/40/1163942240.db2.gz XEWSNAFKASITAP-UHFFFAOYSA-N -2 3 293.235 1.048 20 0 CDADHL COC(=O)c1[n-]cnc1NC(=O)c1oc(C(=O)[O-])cc1C ZINC001606636085 1163942245 /nfs/dbraw/zinc/94/22/45/1163942245.db2.gz XEWSNAFKASITAP-UHFFFAOYSA-N -2 3 293.235 1.048 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C2CC2)cc1C(=O)[O-] ZINC001608055729 1164395519 /nfs/dbraw/zinc/39/55/19/1164395519.db2.gz FBKIQEMKQANOLC-ONGXEEELSA-N -2 3 299.348 1.611 20 0 CDADHL O=C([O-])c1cccc(C(=O)Nc2cccc([O-])c2F)n1 ZINC001608929415 1164686035 /nfs/dbraw/zinc/68/60/35/1164686035.db2.gz HCPPZJGRRAVNHP-UHFFFAOYSA-N -2 3 276.223 1.877 20 0 CDADHL O=C([O-])[C@@H]1CCCN1c1ccc(F)cc1-c1nnn[n-]1 ZINC001609572276 1164990951 /nfs/dbraw/zinc/99/09/51/1164990951.db2.gz OOSFYWUOJQJTBS-JTQLQIEISA-N -2 3 277.259 1.059 20 0 CDADHL O=C([O-])[C@@H]1CCCN1c1ccc(F)cc1-c1nn[n-]n1 ZINC001609572276 1164990956 /nfs/dbraw/zinc/99/09/56/1164990956.db2.gz OOSFYWUOJQJTBS-JTQLQIEISA-N -2 3 277.259 1.059 20 0 CDADHL CC(C)c1nc(CNC[C@@H](CC(=O)[O-])C(=O)[O-])cs1 ZINC001647412813 1168662031 /nfs/dbraw/zinc/66/20/31/1168662031.db2.gz BOGAQINELCMTHN-MRVPVSSYSA-N -2 3 286.353 1.532 20 0 CDADHL O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1cncc([O-])c1 ZINC001586211497 1172937011 /nfs/dbraw/zinc/93/70/11/1172937011.db2.gz SIBSRRHVKFBPAJ-UHFFFAOYSA-N -2 3 296.286 1.931 20 0 CDADHL Cc1cnc(SCc2ccc(-c3nnn[n-]3)o2)[n-]c1=O ZINC001592294358 1173850443 /nfs/dbraw/zinc/85/04/43/1173850443.db2.gz BLNZBZQNNLALDP-UHFFFAOYSA-N -2 3 290.308 1.556 20 0 CDADHL C[C@]1(C(=O)[O-])CCN(c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC000095231900 1174516759 /nfs/dbraw/zinc/51/67/59/1174516759.db2.gz FCWCHDBZNGFQLO-ZDUSSCGKSA-N -2 3 291.286 1.307 20 0 CDADHL Cc1nc(N[C@@H](C)c2ncc(C(=O)[O-])s2)cc(=O)[n-]1 ZINC001600718334 1174579449 /nfs/dbraw/zinc/57/94/49/1174579449.db2.gz NHYQVFGEXNFVKF-YFKPBYRVSA-N -2 3 280.309 1.818 20 0 CDADHL O=C([O-])c1coc(/C=C2/C(=O)[N-]C(=O)c3ccccc32)c1 ZINC001602655574 1175340112 /nfs/dbraw/zinc/34/01/12/1175340112.db2.gz FLMFUJUTWDXTLP-WUXMJOGZSA-N -2 3 283.239 1.788 20 0 CDADHL O=Cc1ccc(OC(F)(F)C(=O)[N-]C2(C(=O)[O-])CC2)cc1 ZINC001602666932 1175345663 /nfs/dbraw/zinc/34/56/63/1175345663.db2.gz NUGQCWJFSKFZCL-UHFFFAOYSA-N -2 3 299.229 1.204 20 0 CDADHL C/C(=C\c1ccccn1)C(=O)[N-]OCCCC(=O)[O-] ZINC001602986177 1175472149 /nfs/dbraw/zinc/47/21/49/1175472149.db2.gz WRUFJZYXHCHZBK-MDZDMXLPSA-N -2 3 264.281 1.398 20 0 CDADHL CC(C)(CCC(=O)[O-])Nc1ncc(-c2nnn[n-]2)cc1F ZINC001603139163 1175498636 /nfs/dbraw/zinc/49/86/36/1175498636.db2.gz JXVVKMDDJHEONJ-UHFFFAOYSA-N -2 3 294.290 1.456 20 0 CDADHL CC(C)(CCC(=O)[O-])Nc1ncc(-c2nn[n-]n2)cc1F ZINC001603139163 1175498640 /nfs/dbraw/zinc/49/86/40/1175498640.db2.gz JXVVKMDDJHEONJ-UHFFFAOYSA-N -2 3 294.290 1.456 20 0 CDADHL C[C@](CNCc1ncc(Cl)s1)(CC(=O)[O-])C(=O)[O-] ZINC001771912686 1186950807 /nfs/dbraw/zinc/95/08/07/1186950807.db2.gz USFXOIBYYRVWAB-SNVBAGLBSA-N -2 3 292.744 1.452 20 0 CDADHL CSc1nc(NC(=O)Cc2ccccc2C(=O)[O-])n[n-]1 ZINC001607415538 1164172185 /nfs/dbraw/zinc/17/21/85/1164172185.db2.gz PAUYDKKERTWXQU-UHFFFAOYSA-N -2 3 292.320 1.406 20 0 CDADHL CCC[C@@H]([N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000036838069 726236875 /nfs/dbraw/zinc/23/68/75/726236875.db2.gz QOLYQTWFUZEAKQ-SSDOTTSWSA-N -2 3 292.744 1.267 20 0 CDADHL Cc1cc(F)ccc1S(=O)(=O)[N-][N-]C(=O)C(C)C ZINC000042668036 727303365 /nfs/dbraw/zinc/30/33/65/727303365.db2.gz MPDXHXZCQTXVJN-UHFFFAOYSA-N -2 3 274.317 1.100 20 0 CDADHL CC(C)[C@@H](CO)O[N-]C(=O)c1n[n-]c2ccccc2c1=O ZINC000857286424 727945517 /nfs/dbraw/zinc/94/55/17/727945517.db2.gz ALYYYZVJRBYANP-LLVKDONJSA-N -2 3 291.307 1.014 20 0 CDADHL C[C@@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)C(=O)[O-] ZINC001609794472 1165083927 /nfs/dbraw/zinc/08/39/27/1165083927.db2.gz XCAIIDSHQHVISB-MRVPVSSYSA-N -2 3 298.266 1.439 20 0 CDADHL O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1cc([O-])ccc1Cl ZINC000693387209 895982895 /nfs/dbraw/zinc/98/28/95/895982895.db2.gz GJEPSQBRTWJORI-KNVOCYPGSA-N -2 3 269.684 1.639 20 0 CDADHL O=P([O-])([O-])CCCCO[C@H]1COc2cnccc21 ZINC001225020529 911595284 /nfs/dbraw/zinc/59/52/84/911595284.db2.gz PBKMWMOMULJXPU-NSHDSACASA-N -2 3 273.225 1.490 20 0 CDADHL CSc1ncc([O-])c(C(=O)Nc2cncc([O-])c2)n1 ZINC001185161192 919445516 /nfs/dbraw/zinc/44/55/16/919445516.db2.gz KGLXCYOQZZHIIV-UHFFFAOYSA-N -2 3 278.293 1.257 20 0 CDADHL CCOCCS(=O)(=O)[N-]c1cc([O-])c(Cl)cc1F ZINC001187283464 920450831 /nfs/dbraw/zinc/45/08/31/920450831.db2.gz IZFSZQBYHFFPBI-UHFFFAOYSA-N -2 3 297.735 1.963 20 0 CDADHL Cc1oncc1S(=O)(=O)[N-]c1cc([O-])c(F)cc1F ZINC001187368968 920502719 /nfs/dbraw/zinc/50/27/19/920502719.db2.gz LRQWPHJQNSZTOL-UHFFFAOYSA-N -2 3 290.247 1.768 20 0 CDADHL Cc1cc(C)nc(C(=O)NCCCCP(=O)([O-])[O-])c1 ZINC001188147563 920865348 /nfs/dbraw/zinc/86/53/48/920865348.db2.gz ZXDZKLDJMJNOLC-UHFFFAOYSA-N -2 3 286.268 1.386 20 0 CDADHL C[C@H]1C[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195186211 924489585 /nfs/dbraw/zinc/48/95/85/924489585.db2.gz HBPMLYOWUILFJG-SSDLBLMSSA-N -2 3 291.275 1.350 20 0 CDADHL O=C([O-])c1ccc(NS(=O)(=O)c2ccc([O-])cc2)cc1 ZINC001195796029 924736836 /nfs/dbraw/zinc/73/68/36/924736836.db2.gz LQWNRRDWNOXRDG-UHFFFAOYSA-N -2 3 293.300 1.891 20 0 CDADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(O)cc2)cc1 ZINC001195796029 924736844 /nfs/dbraw/zinc/73/68/44/924736844.db2.gz LQWNRRDWNOXRDG-UHFFFAOYSA-N -2 3 293.300 1.891 20 0 CDADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(Cl)ncc1[O-] ZINC001196399295 924893715 /nfs/dbraw/zinc/89/37/15/924893715.db2.gz AVGFFIOWVQBJGS-UHFFFAOYSA-N -2 3 296.714 1.150 20 0 CDADHL O=S(=O)(Cc1ccccn1)[N-]c1c([O-])cccc1F ZINC001197824067 925246481 /nfs/dbraw/zinc/24/64/81/925246481.db2.gz DLDHECOAPQBXAR-UHFFFAOYSA-N -2 3 282.296 1.868 20 0 CDADHL Cc1cc(NC(=S)NCCP(=O)([O-])[O-])ccc1F ZINC001201043015 926192368 /nfs/dbraw/zinc/19/23/68/926192368.db2.gz KRIVNJGLGMZXFF-UHFFFAOYSA-N -2 3 292.272 1.598 20 0 CDADHL C[C@H]1C[C@H](OCCCCP(=O)([O-])[O-])CCO1 ZINC001225019018 941814295 /nfs/dbraw/zinc/81/42/95/941814295.db2.gz ORYVWGFMIGNGKV-VHSXEESVSA-N -2 3 252.247 1.528 20 0 CDADHL O=P([O-])([O-])CCCCO[C@H]1CCc2nccn2C1 ZINC001225018997 941815167 /nfs/dbraw/zinc/81/51/67/941815167.db2.gz NWYCCIGUVIFROT-JTQLQIEISA-N -2 3 274.257 1.172 20 0 CDADHL C[C@@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1cccs1 ZINC001233934669 943693787 /nfs/dbraw/zinc/69/37/87/943693787.db2.gz OBFDYOYIUKYEQA-ZCFIWIBFSA-N -2 3 262.294 1.848 20 0 CDADHL O=C([O-])CSCc1noc(-c2ccccc2[O-])n1 ZINC001611501635 971084535 /nfs/dbraw/zinc/08/45/35/971084535.db2.gz FSJJREZTQLBTNU-UHFFFAOYSA-N -2 3 266.278 1.760 20 0 CDADHL CC(C)C[C@H](Nc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000095206677 944616492 /nfs/dbraw/zinc/61/64/92/944616492.db2.gz QHKDFAHHTVWXBV-NSHDSACASA-N -2 3 275.312 1.778 20 0 CDADHL C[C@@H](CC(=O)[O-])Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000095224589 944619734 /nfs/dbraw/zinc/61/97/34/944619734.db2.gz FXUWVXVRSGDSDZ-LURJTMIESA-N -2 3 281.703 1.795 20 0 CDADHL C[C@@H](CC(=O)[O-])Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000095224589 944619739 /nfs/dbraw/zinc/61/97/39/944619739.db2.gz FXUWVXVRSGDSDZ-LURJTMIESA-N -2 3 281.703 1.795 20 0 CDADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)C(F)F ZINC001259959567 945749545 /nfs/dbraw/zinc/74/95/45/945749545.db2.gz XEAGJOKSZLMXNJ-UHFFFAOYSA-N -2 3 281.236 1.143 20 0 CDADHL O=c1cc(-c2ccc3c(c2)OCO3)[n-]n1-c1cc(=O)[n-]cn1 ZINC001245929477 947850431 /nfs/dbraw/zinc/85/04/31/947850431.db2.gz CNDGPBKHKSKJQQ-UHFFFAOYSA-N -2 3 298.258 1.469 20 0 CDADHL CCCCOc1ccc(C(=O)NCCC(=O)[O-])c([O-])c1 ZINC001589653900 949797785 /nfs/dbraw/zinc/79/77/85/949797785.db2.gz AJZFLBGSOJQSNI-UHFFFAOYSA-N -2 3 281.308 1.776 20 0 CDADHL CC[C@H](C(=O)[O-])N(C)C(=O)c1c([O-])cccc1OC ZINC000404650669 953380227 /nfs/dbraw/zinc/38/02/27/953380227.db2.gz QRESJRMLGYHXQC-MRVPVSSYSA-N -2 3 267.281 1.336 20 0 CDADHL O=C([O-])/C=C\c1cc(C(=O)[N-]c2nc(C3CC3)no2)co1 ZINC001594970183 955103902 /nfs/dbraw/zinc/10/39/02/955103902.db2.gz FFOLDVTXSMTQGB-ARJAWSKDSA-N -2 3 289.247 1.890 20 0 CDADHL CC1=NN(c2cnnc([O-])c2Cl)C(C)=C(C(=O)[O-])C1 ZINC001589256525 956998149 /nfs/dbraw/zinc/99/81/49/956998149.db2.gz IBYNHMGUMDSWQE-UHFFFAOYSA-N -2 3 282.687 1.780 20 0 CDADHL Cc1cccc(CO[N-]C(=O)C2(CC(=O)[O-])CCC2)n1 ZINC001594403156 958865295 /nfs/dbraw/zinc/86/52/95/958865295.db2.gz AYFKKLOGGNSYTI-UHFFFAOYSA-N -2 3 278.308 1.583 20 0 CDADHL Cc1nc(NCc2ccccc2CC(=O)[O-])cc(=O)[n-]1 ZINC000163287512 959232345 /nfs/dbraw/zinc/23/23/45/959232345.db2.gz KHVLGYSYBUTTFD-UHFFFAOYSA-N -2 3 273.292 1.730 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(O)cc2)o1 ZINC000228402876 960013246 /nfs/dbraw/zinc/01/32/46/960013246.db2.gz VVFKOZIKLIICHX-UHFFFAOYSA-N -2 3 297.288 1.162 20 0 CDADHL COc1ccc(C(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])c([O-])c1 ZINC001574195992 962877721 /nfs/dbraw/zinc/87/77/21/962877721.db2.gz IAUMRHUCCIUFOT-LDYMZIIASA-N -2 3 279.292 1.479 20 0 CDADHL CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)Nc1ncccc1[O-] ZINC001603314764 972618657 /nfs/dbraw/zinc/61/86/57/972618657.db2.gz OFHINHNAOBOSGE-UHFFFAOYSA-N -2 3 278.308 1.863 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]Cc2cccc(F)c2)c1 ZINC000694229424 976686759 /nfs/dbraw/zinc/68/67/59/976686759.db2.gz FEUWRTHAMOXJQQ-UHFFFAOYSA-N -2 3 299.279 1.595 20 0 CDADHL O=C([O-])C1=CC[C@@H](NC(=O)c2c([O-])cccc2O)C1 ZINC000694987862 976766840 /nfs/dbraw/zinc/76/68/40/976766840.db2.gz XHQXPYBVGBLNNF-MRVPVSSYSA-N -2 3 263.249 1.001 20 0 CDADHL CSCC[C@@H](C)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871993311 980025330 /nfs/dbraw/zinc/02/53/30/980025330.db2.gz HAWNTFDQHVOOJY-SSDOTTSWSA-N -2 3 293.366 1.398 20 0 CDADHL CCCN(C(=O)c1cc2c(cc1[O-])OCO2)[C@H](C)C(=O)[O-] ZINC001595828000 982714575 /nfs/dbraw/zinc/71/45/75/982714575.db2.gz XHKQKCRVXRYUQW-MRVPVSSYSA-N -2 3 295.291 1.446 20 0 CDADHL CCOC1CC(CC(=O)[N-]OCCCC(=O)[O-])C1 ZINC001596803585 985317184 /nfs/dbraw/zinc/31/71/84/985317184.db2.gz ZHSIRMSHADSRLH-UHFFFAOYSA-N -2 3 259.302 1.104 20 0 CDADHL CC(=O)c1cccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)c1[O-] ZINC001589311721 986098893 /nfs/dbraw/zinc/09/88/93/986098893.db2.gz VYXWPJVTNMZWOL-MNOVXSKESA-N -2 3 293.275 1.166 20 0 CDADHL CCC(F)(F)C(=O)[N-]C(C)(C)c1cc(C(=O)[O-])on1 ZINC001605065269 1163438200 /nfs/dbraw/zinc/43/82/00/1163438200.db2.gz RWWZWPACWZSILE-UHFFFAOYSA-N -2 3 276.239 1.769 20 0 CDADHL CC[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C1CC1 ZINC001605104727 1163453596 /nfs/dbraw/zinc/45/35/96/1163453596.db2.gz ITSJRMVMECDOFQ-ZETCQYMHSA-N -2 3 290.366 1.308 20 0 CDADHL Cc1csc(NC(=O)CCC(=O)[O-])c1-c1nnn[n-]1 ZINC001606005209 1163741696 /nfs/dbraw/zinc/74/16/96/1163741696.db2.gz QCSKZEPUWKDDQB-UHFFFAOYSA-N -2 3 281.297 1.040 20 0 CDADHL Cc1csc(NC(=O)CCC(=O)[O-])c1-c1nn[n-]n1 ZINC001606005209 1163741699 /nfs/dbraw/zinc/74/16/99/1163741699.db2.gz QCSKZEPUWKDDQB-UHFFFAOYSA-N -2 3 281.297 1.040 20 0 CDADHL CC(C)(C)c1nc(=NC(=O)c2cc(=O)[n-]cn2)s[n-]1 ZINC000625214733 342041557 /nfs/dbraw/zinc/04/15/57/342041557.db2.gz BFFIHLSAOXMZPF-UHFFFAOYSA-N -2 3 279.325 1.005 20 0 CDADHL CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134696338 342071194 /nfs/dbraw/zinc/07/11/94/342071194.db2.gz NOZNLXGLIPTVDF-NKWVEPMBSA-N -2 3 292.382 1.554 20 0 CDADHL C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134708674 342071262 /nfs/dbraw/zinc/07/12/62/342071262.db2.gz GDYWVIDLNBSXND-BQBZGAKWSA-N -2 3 290.366 1.308 20 0 CDADHL Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ccccc2[O-])n1 ZINC000622738853 342140029 /nfs/dbraw/zinc/14/00/29/342140029.db2.gz JYADMHDREGXARB-UHFFFAOYSA-N -2 3 287.319 1.861 20 0 CDADHL CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000400385581 342279138 /nfs/dbraw/zinc/27/91/38/342279138.db2.gz JWWHVIDMZWGYCN-IUCAKERBSA-N -2 3 291.394 1.916 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])c(F)c1 ZINC000404996237 349778376 /nfs/dbraw/zinc/77/83/76/349778376.db2.gz GWLQKUHKMFABPZ-UHFFFAOYSA-N -2 3 289.328 1.666 20 0 CDADHL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)CCC1CC1 ZINC000271293092 191054986 /nfs/dbraw/zinc/05/49/86/191054986.db2.gz UDVJUXYCZOWGSW-UHFFFAOYSA-N -2 3 299.348 1.935 20 0 CDADHL COc1ccc(C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)[O-])c([O-])c1 ZINC000125333342 351427963 /nfs/dbraw/zinc/42/79/63/351427963.db2.gz BKTCYYFLJHNZDU-BXKDBHETSA-N -2 3 293.319 1.726 20 0 CDADHL Cc1ccc([O-])c(C(=O)N[C@H](C(=O)[O-])C(C)C)c1 ZINC000019266855 356479021 /nfs/dbraw/zinc/47/90/21/356479021.db2.gz UZFHNKFSLZYLQM-NSHDSACASA-N -2 3 251.282 1.540 20 0 CDADHL Cc1cccc(C(=O)N([C@@H](C)C(=O)[O-])C2CC2)c1[O-] ZINC000262856843 357164462 /nfs/dbraw/zinc/16/44/62/357164462.db2.gz YEIPEAPIZSDPPS-VIFPVBQESA-N -2 3 263.293 1.778 20 0 CDADHL C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000054333931 357317505 /nfs/dbraw/zinc/31/75/05/357317505.db2.gz QGRQQXHFMRJVAR-LURJTMIESA-N -2 3 295.719 1.478 20 0 CDADHL C[C@@H]1CCN(S(=O)(=O)[N-]c2cc(F)ccc2[O-])C1 ZINC000408140159 358173854 /nfs/dbraw/zinc/17/38/54/358173854.db2.gz QSPKKYJVCTYFAU-MRVPVSSYSA-N -2 3 274.317 1.530 20 0 CDADHL CCC[C@@H](CNC(=O)c1cc(OC)ccc1[O-])C(=O)[O-] ZINC000087486985 358343933 /nfs/dbraw/zinc/34/39/33/358343933.db2.gz HLJVPUHUGJHCMO-VIFPVBQESA-N -2 3 281.308 1.632 20 0 CDADHL Cc1ccc([O-])c(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)c1 ZINC000095332220 358681658 /nfs/dbraw/zinc/68/16/58/358681658.db2.gz CLZIPHJKGMFDSU-SECBINFHSA-N -2 3 275.312 1.089 20 0 CDADHL Cc1ccc([O-])c(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c1 ZINC000095332220 358681661 /nfs/dbraw/zinc/68/16/61/358681661.db2.gz CLZIPHJKGMFDSU-SECBINFHSA-N -2 3 275.312 1.089 20 0 CDADHL CCCN(CC(=O)[O-])C(=O)c1cccc(C)c1[O-] ZINC000038019628 359476600 /nfs/dbraw/zinc/47/66/00/359476600.db2.gz KKBFKOQJAYOZFY-UHFFFAOYSA-N -2 3 251.282 1.637 20 0 CDADHL O=C([O-])[C@@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccccc1 ZINC000192837707 363997577 /nfs/dbraw/zinc/99/75/77/363997577.db2.gz PXFLMCFZFGKBQO-ZDUSSCGKSA-N -2 3 296.286 1.514 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2C(=O)[O-])o1 ZINC000565652890 370500243 /nfs/dbraw/zinc/50/02/43/370500243.db2.gz BMRZBXPSFJNROS-DTWKUNHWSA-N -2 3 273.310 1.120 20 0 CDADHL CCC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000565949877 370573830 /nfs/dbraw/zinc/57/38/30/370573830.db2.gz YPDHTZMJQHVFAE-UHFFFAOYSA-N -2 3 261.299 1.445 20 0 CDADHL COCc1nocc1C(=O)[N-]c1n[n-]c(C(F)(F)F)n1 ZINC000341534996 373771624 /nfs/dbraw/zinc/77/16/24/373771624.db2.gz PFHKGWWNBIETSI-UHFFFAOYSA-N -2 3 291.189 1.210 20 0 CDADHL CC(C)c1noc(=NCc2nc(C(C)(C)C)n[n-]2)[n-]1 ZINC000584456576 373802730 /nfs/dbraw/zinc/80/27/30/373802730.db2.gz KVYMLKUGHCWXLM-UHFFFAOYSA-N -2 3 264.333 1.643 20 0 CDADHL O=C(C[C@H]1C[C@H]1c1ccccc1)N=c1ccc([O-])n[n-]1 ZINC000341684382 373898382 /nfs/dbraw/zinc/89/83/82/373898382.db2.gz LTTYNZUVAJNSPT-NEPJUHHUSA-N -2 3 269.304 1.736 20 0 CDADHL CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-] ZINC000278665797 194091582 /nfs/dbraw/zinc/09/15/82/194091582.db2.gz POWXMDDNTKQNEP-ZETCQYMHSA-N -2 3 291.300 1.301 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@H](CC2CC2)C(=O)[O-])o1 ZINC000646032936 391919545 /nfs/dbraw/zinc/91/95/45/391919545.db2.gz MUPGKIRACLZDES-SECBINFHSA-N -2 3 273.310 1.120 20 0 CDADHL Cc1nc(S(=O)(=O)[N-]c2cccc([O-])c2F)cn1C ZINC000131537624 393050179 /nfs/dbraw/zinc/05/01/79/393050179.db2.gz INCLGMHTCUDIFP-UHFFFAOYSA-N -2 3 285.300 1.374 20 0 CDADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C1CCCC1 ZINC000134660734 393275301 /nfs/dbraw/zinc/27/53/01/393275301.db2.gz KGXDPZLIYBBLIM-UHFFFAOYSA-N -2 3 276.339 1.062 20 0 CDADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(Cl)ccc1[O-] ZINC000524468617 393359311 /nfs/dbraw/zinc/35/93/11/393359311.db2.gz UEFYHILBQXLPDA-VIFPVBQESA-N -2 3 295.726 1.287 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])c(Cl)cc1F ZINC000261622203 140364806 /nfs/dbraw/zinc/36/48/06/140364806.db2.gz CJVCDCSJZLGGBX-LURJTMIESA-N -2 3 295.719 1.539 20 0 CDADHL Cc1ncccc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000349108529 154053290 /nfs/dbraw/zinc/05/32/90/154053290.db2.gz LMJLFJKCDIZNMD-AATRIKPKSA-N -2 3 285.303 1.992 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2)o1 ZINC000020593383 171262872 /nfs/dbraw/zinc/26/28/72/171262872.db2.gz FYRUFSAYPWBQDL-UHFFFAOYSA-N -2 3 281.289 1.456 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]C2CCCC2)oc1C(=O)[O-] ZINC000663421135 414244919 /nfs/dbraw/zinc/24/49/19/414244919.db2.gz ZRBUGQCJYXXSBR-UHFFFAOYSA-N -2 3 273.310 1.507 20 0 CDADHL CC(C)[C@@H](CNC(=O)NCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000655870284 414280833 /nfs/dbraw/zinc/28/08/33/414280833.db2.gz RMJFOMANPZIFII-SNVBAGLBSA-N -2 3 298.314 1.687 20 0 CDADHL COc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)c([O-])c1 ZINC000043508484 175059786 /nfs/dbraw/zinc/05/97/86/175059786.db2.gz RCQRJOYVCIKRFQ-ZDUSSCGKSA-N -2 3 297.332 1.091 20 0 CDADHL CCc1cc(=O)[n-]c(CN2[C@H](C)CC(C(=O)[O-])C[C@H]2C)n1 ZINC000530174212 271131420 /nfs/dbraw/zinc/13/14/20/271131420.db2.gz IUYWWCLVPQGBJC-NXEZZACHSA-N -2 3 293.367 1.818 20 0 CDADHL O=C(Nc1cc(Br)ccc1[O-])c1n[nH]c(=O)[n-]1 ZINC000085589125 279249757 /nfs/dbraw/zinc/24/97/57/279249757.db2.gz PJCVJVSXZKYZAZ-UHFFFAOYSA-N -2 3 299.084 1.231 20 0 CDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccoc1)c1cccs1 ZINC000551910743 290024680 /nfs/dbraw/zinc/02/46/80/290024680.db2.gz QJXRZVAPUNFMQH-VIFPVBQESA-N -2 3 287.318 1.445 20 0 CDADHL CC[C@@](C)([N-]S(=O)(=O)c1sccc1OC)C(=O)[O-] ZINC000565831175 293692826 /nfs/dbraw/zinc/69/28/26/293692826.db2.gz IADQCOODLUOMLK-SNVBAGLBSA-N -2 3 293.366 1.288 20 0 CDADHL Cc1cccc([N-]S(=O)(=O)Cc2ccon2)c1C(=O)[O-] ZINC000570378580 294226110 /nfs/dbraw/zinc/22/61/10/294226110.db2.gz GRYCETVYNQZHHZ-UHFFFAOYSA-N -2 3 296.304 1.623 20 0 CDADHL CCCN(CC(=O)[O-])C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000566068616 316465509 /nfs/dbraw/zinc/46/55/09/316465509.db2.gz RVJWTITXHNCFGD-UHFFFAOYSA-N -2 3 279.292 1.532 20 0 CDADHL Cc1noc(C2CC2)c1[N-]C(=O)c1cnc(C(=O)[O-])cn1 ZINC000576345960 317122709 /nfs/dbraw/zinc/12/27/09/317122709.db2.gz AANFHRLSBXWNPJ-UHFFFAOYSA-N -2 3 288.263 1.601 20 0 CDADHL Cc1oc(S(=O)(=O)[N-][C@@H]2C[C@H]3C[C@H]3C2)cc1C(=O)[O-] ZINC000583497599 325187443 /nfs/dbraw/zinc/18/74/43/325187443.db2.gz XKWSEMXAGIPJGS-AYMMMOKOSA-N -2 3 285.321 1.363 20 0 CDADHL COc1ccc([O-])c(C(=O)NC[C@@H](C(=O)[O-])C(C)C)c1 ZINC000087476751 482857154 /nfs/dbraw/zinc/85/71/54/482857154.db2.gz WIFKNNSPSBWXAW-LLVKDONJSA-N -2 3 281.308 1.487 20 0 CDADHL CC[C@@H](C)CSc1nc(=O)[n-]c(C)c1C(=O)[O-] ZINC000050423414 522013874 /nfs/dbraw/zinc/01/38/74/522013874.db2.gz XQFSTNWCWPWUSX-ZCFIWIBFSA-N -2 3 256.327 1.915 20 0 CDADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@]2(C)CC=CCC2)c1C(=O)[O-] ZINC001600673141 1174559018 /nfs/dbraw/zinc/55/90/18/1174559018.db2.gz ONUAZTGLYUPCAW-LBPRGKRZSA-N -2 3 299.352 1.193 20 0 CDADHL Cc1[n-]ncc1S(=O)(=O)Oc1cc(C(=O)[O-])ccc1C ZINC000738540019 574674329 /nfs/dbraw/zinc/67/43/29/574674329.db2.gz KADIXZDYJIHIAR-UHFFFAOYSA-N -2 3 296.304 1.492 20 0 CDADHL Cc1[nH]c(C(=O)CO[N-]C(=O)C(C)(C)C)c(C)c1C(=O)[O-] ZINC000738154621 576044492 /nfs/dbraw/zinc/04/44/92/576044492.db2.gz JAGSQENNRRICMQ-UHFFFAOYSA-N -2 3 296.323 1.606 20 0 CDADHL CSc1nc(=O)[n-]c(C)c1C(=O)[N-]O[C@@H]1CCCCO1 ZINC000747377826 576867568 /nfs/dbraw/zinc/86/75/68/576867568.db2.gz UBYKFOUNYPNJAQ-MRVPVSSYSA-N -2 3 299.352 1.401 20 0 CDADHL O=C([O-])[C@@H]1CCCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000037435037 597166201 /nfs/dbraw/zinc/16/62/01/597166201.db2.gz FKOKBEYLAYGWTP-LBPRGKRZSA-N -2 3 286.287 1.217 20 0 CDADHL CCc1cccc(C(=O)N2CCC[C@H]2C(=O)[O-])c1[O-] ZINC000820485770 598146922 /nfs/dbraw/zinc/14/69/22/598146922.db2.gz NQGSBPKTQQJLFU-NSHDSACASA-N -2 3 263.293 1.644 20 0 CDADHL CCc1ccc([O-])c(C(=O)N2C[C@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000830253641 601801515 /nfs/dbraw/zinc/80/15/15/601801515.db2.gz JIBIRNFKZAKVMQ-JOYOIKCWSA-N -2 3 277.320 1.747 20 0 CDADHL CC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000388614063 601809999 /nfs/dbraw/zinc/80/99/99/601809999.db2.gz FAOHVGZNOIZSBY-BDAKNGLRSA-N -2 3 287.337 1.835 20 0 CDADHL O=C([O-])C1(NC(=O)Cc2ccc([O-])c(F)c2)CCCC1 ZINC000908667796 628324532 /nfs/dbraw/zinc/32/45/32/628324532.db2.gz CPMXZKCVLSAYIZ-UHFFFAOYSA-N -2 3 281.283 1.587 20 0 CDADHL CC(=O)c1ccc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)cc1[O-] ZINC000909305930 628623363 /nfs/dbraw/zinc/62/33/63/628623363.db2.gz XAQVYMLCFJIVHE-AWEZNQCLSA-N -2 3 295.266 1.234 20 0 CDADHL CCc1nc(Sc2c(C)[n-][nH]c2=O)[n-]c(=O)c1C ZINC000917841733 632287556 /nfs/dbraw/zinc/28/75/56/632287556.db2.gz AZAPAUZKOSKPFU-QMMMGPOBSA-N -2 3 266.326 1.019 20 0 CDADHL O=c1c2c([n-]n1-c1ccc(-c3nnn[n-]3)cn1)CCCCC2 ZINC001607037871 1164065819 /nfs/dbraw/zinc/06/58/19/1164065819.db2.gz LRCZZOUFKSBYOR-JTQLQIEISA-N -2 3 297.322 1.545 20 0 CDADHL O=c1c2c([n-]n1-c1ccc(-c3nn[n-]n3)cn1)CCCCC2 ZINC001607037871 1164065822 /nfs/dbraw/zinc/06/58/22/1164065822.db2.gz LRCZZOUFKSBYOR-JTQLQIEISA-N -2 3 297.322 1.545 20 0 CDADHL Cc1nc2c(c(=O)[n-]1)CN(Cc1ccccc1CC(=O)[O-])C2 ZINC001607967776 1164355768 /nfs/dbraw/zinc/35/57/68/1164355768.db2.gz DQZXJUSGLPMMOR-UHFFFAOYSA-N -2 3 299.330 1.634 20 0 CDADHL O=C([O-])C1(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)CC1 ZINC001608566831 1164548359 /nfs/dbraw/zinc/54/83/59/1164548359.db2.gz AKLNVYGAJBTZEW-UHFFFAOYSA-N -2 3 261.237 1.072 20 0 CDADHL CC(C)(C(=O)[O-])C(=O)COC(=O)Cc1ccc([O-])c(F)c1 ZINC001609648291 1165026308 /nfs/dbraw/zinc/02/63/08/1165026308.db2.gz XQDHUFHJXYZWPM-UHFFFAOYSA-N -2 3 298.266 1.297 20 0 CDADHL O=C([O-])[C@@H](CNc1cc(=O)[n-]cn1)Cc1ccccc1 ZINC001601655135 1174932084 /nfs/dbraw/zinc/93/20/84/1174932084.db2.gz JMJJVQDYUCAHSA-LLVKDONJSA-N -2 3 273.292 1.538 20 0 CDADHL CC(C)OCCO[N-]C(=O)Cc1cccc(C(=O)[O-])c1 ZINC001603926053 1175687825 /nfs/dbraw/zinc/68/78/25/1175687825.db2.gz ZUKPHLAFBWCDTP-UHFFFAOYSA-N -2 3 281.308 1.400 20 0 CDADHL Cc1cc(NC([O-])=NO[C@@H]2CCCCO2)ncc1C(=O)[O-] ZINC001607690299 1164270578 /nfs/dbraw/zinc/27/05/78/1164270578.db2.gz DDLXRCNMHSFRFH-LLVKDONJSA-N -2 3 295.295 1.668 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)C[C@@H]1CC[C@H](C2CC2)O1 ZINC001608715683 1164618142 /nfs/dbraw/zinc/61/81/42/1164618142.db2.gz ALVKCBSWNLIISM-WDEREUQCSA-N -2 3 271.313 1.247 20 0 CDADHL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc(N)cc2[O-])C1 ZINC000844934994 728425728 /nfs/dbraw/zinc/42/57/28/728425728.db2.gz QRZNRJXWPPBLQI-BDAKNGLRSA-N -2 3 278.308 1.157 20 0 CDADHL C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000131000454 728510279 /nfs/dbraw/zinc/51/02/79/728510279.db2.gz HELVXIGJQXVESR-JGVFFNPUSA-N -2 3 273.310 1.445 20 0 CDADHL CCCCC[C@@H](C)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000037732067 730008361 /nfs/dbraw/zinc/00/83/61/730008361.db2.gz PJZQHDAYMKFQCC-MRVPVSSYSA-N -2 3 289.357 1.355 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CCC1CCCC1 ZINC000871993366 730055824 /nfs/dbraw/zinc/05/58/24/730055824.db2.gz MFHAJSPVMLSFOZ-UHFFFAOYSA-N -2 3 287.337 1.836 20 0 CDADHL C[C@H](Cc1ccco1)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694233747 898209270 /nfs/dbraw/zinc/20/92/70/898209270.db2.gz VZKFTFPNZWOHIH-MRVPVSSYSA-N -2 3 299.304 1.480 20 0 CDADHL COc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c([O-])c1 ZINC000313757593 900497568 /nfs/dbraw/zinc/49/75/68/900497568.db2.gz HROPGLVFJVGUKK-GXSJLCMTSA-N -2 3 293.319 1.584 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])C1(c2ccncc2)CC1 ZINC001177613523 914798927 /nfs/dbraw/zinc/79/89/27/914798927.db2.gz OCLCPIRHMOFKIO-UHFFFAOYSA-N -2 3 298.279 1.187 20 0 CDADHL O=C([O-])CCCCC(=O)[N-]OCCC(F)(F)F ZINC000315295816 941446856 /nfs/dbraw/zinc/44/68/56/941446856.db2.gz XHVNPJHGURWIOH-UHFFFAOYSA-N -2 3 257.208 1.632 20 0 CDADHL COc1ccnc(C(=O)Nc2ncccc2[O-])c1[O-] ZINC001193521134 923769352 /nfs/dbraw/zinc/76/93/52/923769352.db2.gz WAFLQSKPGOIUDE-UHFFFAOYSA-N -2 3 261.237 1.149 20 0 CDADHL O=C(/C=C/c1ccoc1)NCCCCP(=O)([O-])[O-] ZINC001142266407 936997240 /nfs/dbraw/zinc/99/72/40/936997240.db2.gz VNGIPQUMBMHDQB-ONEGZZNKSA-N -2 3 273.225 1.367 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1ccc2nccn2c1 ZINC001201282118 926237746 /nfs/dbraw/zinc/23/77/46/926237746.db2.gz VSHZKYLKMFJBSD-UHFFFAOYSA-N -2 3 297.251 1.022 20 0 CDADHL C[C@H](CC[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000129228574 929898242 /nfs/dbraw/zinc/89/82/42/929898242.db2.gz FNXVCZKAVDZQBT-ZCFIWIBFSA-N -2 3 297.785 1.791 20 0 CDADHL CSc1nc(=O)[n-]c(C)c1C(=O)[N-]OCC1CC1 ZINC000817329399 930503323 /nfs/dbraw/zinc/50/33/23/930503323.db2.gz ACYNTRYXBPKUEJ-UHFFFAOYSA-N -2 3 269.326 1.284 20 0 CDADHL Cc1ncc(CO)c(C(=O)Nc2ccc(F)c([O-])c2)c1[O-] ZINC001147841968 932616715 /nfs/dbraw/zinc/61/67/15/932616715.db2.gz XJAZZXOEIFNPHN-UHFFFAOYSA-N -2 3 292.266 1.685 20 0 CDADHL COC(=O)C[C@@H]1CCC[C@@H](OCCP(=O)([O-])[O-])C1 ZINC001224602956 941774102 /nfs/dbraw/zinc/77/41/02/941774102.db2.gz UKKCHFXJDNQEIP-NXEZZACHSA-N -2 3 280.257 1.303 20 0 CDADHL CCC[C@H](CC(=O)OCC)OCCP(=O)([O-])[O-] ZINC001224605355 941774313 /nfs/dbraw/zinc/77/43/13/941774313.db2.gz IBSISXOULKFWIT-SECBINFHSA-N -2 3 268.246 1.303 20 0 CDADHL CC(C)Oc1cncc(COCCP(=O)([O-])[O-])c1 ZINC001224602045 941774617 /nfs/dbraw/zinc/77/46/17/941774617.db2.gz NJTIATCWCOGLGE-UHFFFAOYSA-N -2 3 275.241 1.563 20 0 CDADHL Cc1c([C@H](C)OCCCCP(=O)([O-])[O-])cnn1C ZINC001225023102 941816424 /nfs/dbraw/zinc/81/64/24/941816424.db2.gz USAAHEVGJWDDPK-JTQLQIEISA-N -2 3 276.273 1.764 20 0 CDADHL C[C@H]1COC[C@@H]1Oc1nc2ncnc-2c([S-])[n-]1 ZINC001226780590 942067921 /nfs/dbraw/zinc/06/79/21/942067921.db2.gz QITHNOOJOSNINI-WDSKDSINSA-N -2 3 252.299 1.055 20 0 CDADHL O=S(=O)([N-]c1cncc([O-])c1)c1c(F)cccc1F ZINC001259063397 945476560 /nfs/dbraw/zinc/47/65/60/945476560.db2.gz DHKTXJLDAHKFEB-UHFFFAOYSA-N -2 3 286.259 1.866 20 0 CDADHL [O-]c1ccc(-c2ccc(-c3nnn[n-]3)nc2)c(F)c1F ZINC001243342305 947087533 /nfs/dbraw/zinc/08/75/33/947087533.db2.gz GFDJWNMMZCQPQG-UHFFFAOYSA-N -2 3 275.218 1.913 20 0 CDADHL Nc1cccc(-c2cc(=O)n(-c3cc(=O)[n-]cn3)[n-]2)c1 ZINC001245947840 947866343 /nfs/dbraw/zinc/86/63/43/947866343.db2.gz DXTHQZBWAXHUOP-UHFFFAOYSA-N -2 3 269.264 1.323 20 0 CDADHL CCc1ccc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c([O-])c1 ZINC001593635368 953607584 /nfs/dbraw/zinc/60/75/84/953607584.db2.gz NWHPOLXFWJZMKN-OAHLLOKOSA-N -2 3 277.320 1.891 20 0 CDADHL O=C([O-])[C@H]1CCN(Cc2c(F)ccc([O-])c2F)C1 ZINC001594933119 954830287 /nfs/dbraw/zinc/83/02/87/954830287.db2.gz BLIJVKDPTLMEGX-ZETCQYMHSA-N -2 3 257.236 1.577 20 0 CDADHL CC(=O)c1ccc(C(=O)NC(C)(C)C(=O)[O-])cc1[O-] ZINC001588528143 958880655 /nfs/dbraw/zinc/88/06/55/958880655.db2.gz APVFHXNMOWBRHI-UHFFFAOYSA-N -2 3 265.265 1.188 20 0 CDADHL Cc1ccc([O-])c(C(=O)Nc2n[nH]cc2C(=O)[O-])c1 ZINC001574374791 961083757 /nfs/dbraw/zinc/08/37/57/961083757.db2.gz BODGYHJBMCTKCL-UHFFFAOYSA-N -2 3 261.237 1.374 20 0 CDADHL COc1ccc([O-])c(C(=O)Nc2n[nH]cc2C(=O)[O-])c1 ZINC001574218266 962951216 /nfs/dbraw/zinc/95/12/16/962951216.db2.gz DDLWYTNRPUHJLC-UHFFFAOYSA-N -2 3 277.236 1.074 20 0 CDADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1ccccc1 ZINC000315433910 963899866 /nfs/dbraw/zinc/89/98/66/963899866.db2.gz DTSMGZIAQSRESK-MRVPVSSYSA-N -2 3 296.304 1.412 20 0 CDADHL CCC[C@@H](NC(=O)c1ccc([O-])cc1F)c1nnn[n-]1 ZINC001445346017 966164058 /nfs/dbraw/zinc/16/40/58/966164058.db2.gz OFLSPUZOWSIFBW-SNVBAGLBSA-N -2 3 279.275 1.316 20 0 CDADHL CCC[C@@H](NC(=O)c1ccc([O-])cc1F)c1nn[n-]n1 ZINC001445346017 966164063 /nfs/dbraw/zinc/16/40/63/966164063.db2.gz OFLSPUZOWSIFBW-SNVBAGLBSA-N -2 3 279.275 1.316 20 0 CDADHL O=C([O-])[C@H]1CCCN(Cc2c(F)ccc([O-])c2F)C1 ZINC000874045539 969363758 /nfs/dbraw/zinc/36/37/58/969363758.db2.gz ZBODQTIAPCTLNP-QMMMGPOBSA-N -2 3 271.263 1.967 20 0 CDADHL Cc1cc(C(F)(F)C(=O)[N-][C@H](C)C(=O)[O-])cnc1Cl ZINC001605145936 972825259 /nfs/dbraw/zinc/82/52/59/972825259.db2.gz QVFJESJEFPFBNL-ZCFIWIBFSA-N -2 3 292.669 1.725 20 0 CDADHL COc1cccc([O-])c1C(=O)N[C@H]1CC[C@@H](CC(=O)[O-])C1 ZINC000404697361 973743244 /nfs/dbraw/zinc/74/32/44/973743244.db2.gz UWOILPBLDPDKOG-ZJUUUORDSA-N -2 3 293.319 1.774 20 0 CDADHL Cc1nc(NC[C@@H](CC2CC2)C(=O)[O-])cc(=O)[n-]1 ZINC000405235921 973796895 /nfs/dbraw/zinc/79/68/95/973796895.db2.gz SPXFBLZFNVAICL-SECBINFHSA-N -2 3 251.286 1.403 20 0 CDADHL C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000694195512 976679411 /nfs/dbraw/zinc/67/94/11/976679411.db2.gz FTMGNVKHACGGBP-BDAKNGLRSA-N -2 3 287.337 1.692 20 0 CDADHL Cc1ccc(C(=O)Nc2cc(C(=O)[O-])nn2C)c([O-])c1 ZINC000724768291 978240790 /nfs/dbraw/zinc/24/07/90/978240790.db2.gz ABISNGDCKLOTPD-UHFFFAOYSA-N -2 3 275.264 1.385 20 0 CDADHL C[C@](CCF)(NC(=O)c1cc(F)cc2n[n-]nc21)C(=O)[O-] ZINC001592498574 978313308 /nfs/dbraw/zinc/31/33/08/978313308.db2.gz ZFNNVNHXWZQNKM-GFCCVEGCSA-N -2 3 298.249 1.030 20 0 CDADHL CCC1([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)CC1 ZINC001595392350 980951804 /nfs/dbraw/zinc/95/18/04/980951804.db2.gz VDHKHSSUFMRGCM-UHFFFAOYSA-N -2 3 273.310 1.507 20 0 CDADHL CC[C@@H](C)CO[N-]C(=O)CCc1ocnc1C(=O)[O-] ZINC001594964158 982717553 /nfs/dbraw/zinc/71/75/53/982717553.db2.gz FFWJHJDTOCUIPA-MRVPVSSYSA-N -2 3 270.285 1.399 20 0 CDADHL C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC001604633115 1163256081 /nfs/dbraw/zinc/25/60/81/1163256081.db2.gz HUFVRJKZGLAZJY-SCZZXKLOSA-N -2 3 296.298 1.536 20 0 CDADHL CCc1ccc(C(=O)NOCCCC(=O)[O-])c([O-])c1 ZINC001597500893 988060447 /nfs/dbraw/zinc/06/04/47/988060447.db2.gz BIAGFNPTFCJGJG-UHFFFAOYSA-N -2 3 267.281 1.481 20 0 CDADHL CC1(C)CO[C@@H](CCC(=O)[N-]OCCCC(=O)[O-])C1 ZINC001593954940 997049318 /nfs/dbraw/zinc/04/93/18/997049318.db2.gz QIWKRZYUVGYRHC-JTQLQIEISA-N -2 3 273.329 1.494 20 0 CDADHL COC(=O)c1cnc(SCc2oncc2C(=O)[O-])[n-]1 ZINC001598917163 997494869 /nfs/dbraw/zinc/49/48/69/997494869.db2.gz KWSGKAODUHFTGO-UHFFFAOYSA-N -2 3 283.265 1.175 20 0 CDADHL CC(C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000092114006 342062597 /nfs/dbraw/zinc/06/25/97/342062597.db2.gz PKSYJDBWIASELI-UHFFFAOYSA-N -2 3 261.274 1.211 20 0 CDADHL C=CCCC[C@@H](C)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000398125805 345274929 /nfs/dbraw/zinc/27/49/29/345274929.db2.gz CNISDPQBOHRXJN-MRVPVSSYSA-N -2 3 287.341 1.131 20 0 CDADHL CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000011889678 365822278 /nfs/dbraw/zinc/82/22/78/365822278.db2.gz ZQHIPEVNDCYPIU-YFKPBYRVSA-N -2 3 283.758 1.543 20 0 CDADHL C[C@H](CCC[N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000229515127 346553465 /nfs/dbraw/zinc/55/34/65/346553465.db2.gz DYXRKCUCMAAGIX-SECBINFHSA-N -2 3 289.328 1.605 20 0 CDADHL C[N-]S(=O)(=O)c1ccc(C(=O)[N-]c2c(C)noc2C)o1 ZINC000068935043 349084338 /nfs/dbraw/zinc/08/43/38/349084338.db2.gz BRPPJDGXMQMHDF-UHFFFAOYSA-N -2 3 299.308 1.045 20 0 CDADHL O=C([O-])[C@H]1C=C[C@@H]([N-]S(=O)(=O)c2cccs2)C1 ZINC000092182139 180339002 /nfs/dbraw/zinc/33/90/02/180339002.db2.gz ITIZDNJCHUOXDK-JGVFFNPUSA-N -2 3 273.335 1.056 20 0 CDADHL C=CCC[C@H](NC(=O)c1ccc(OC)cc1[O-])C(=O)[O-] ZINC000316160312 351105738 /nfs/dbraw/zinc/10/57/38/351105738.db2.gz VBRLZSZAMRKTNY-NSHDSACASA-N -2 3 279.292 1.550 20 0 CDADHL COc1ccc([O-])c(C(=O)N(CC(=O)[O-])CC(C)C)c1 ZINC000059882017 359821909 /nfs/dbraw/zinc/82/19/09/359821909.db2.gz ZBKBXEUFJJNGKA-UHFFFAOYSA-N -2 3 281.308 1.584 20 0 CDADHL CC(C)C[C@H](CNC(=O)NCc1ncccc1[O-])C(=O)[O-] ZINC000424404355 360041930 /nfs/dbraw/zinc/04/19/30/360041930.db2.gz CEEBUPNMIJARBH-SNVBAGLBSA-N -2 3 295.339 1.333 20 0 CDADHL O=C([O-])COCCNCc1cccc([O-])c1Cl ZINC000635315036 361118701 /nfs/dbraw/zinc/11/87/01/361118701.db2.gz GAEXQHGFAGKWFA-UHFFFAOYSA-N -2 3 259.689 1.236 20 0 CDADHL Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc(Cl)cc1[O-] ZINC000436797453 361576187 /nfs/dbraw/zinc/57/61/87/361576187.db2.gz NMECKNSHCDRGIC-UHFFFAOYSA-N -2 3 295.682 1.808 20 0 CDADHL CC1(CC[N-]S(=O)(=O)c2csnc2C(=O)[O-])CC1 ZINC000580559672 372023743 /nfs/dbraw/zinc/02/37/43/372023743.db2.gz UOEGNZREYQZKQY-UHFFFAOYSA-N -2 3 290.366 1.310 20 0 CDADHL COc1ccc(C(=O)N2CCCCC[C@H]2C(=O)[O-])c([O-])c1 ZINC000081009072 374488532 /nfs/dbraw/zinc/48/85/32/374488532.db2.gz RQZYKWUHQFOPJF-LBPRGKRZSA-N -2 3 293.319 1.870 20 0 CDADHL C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000274965411 533516813 /nfs/dbraw/zinc/51/68/13/533516813.db2.gz IECNVTRJCHDPLW-ZETCQYMHSA-N -2 3 292.744 1.267 20 0 CDADHL O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cncc([O-])c1 ZINC000171762364 392606745 /nfs/dbraw/zinc/60/67/45/392606745.db2.gz PKFXTGHBGDIDJW-UHFFFAOYSA-N -2 3 273.174 1.176 20 0 CDADHL O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cncc([O-])c1 ZINC000171762364 392606755 /nfs/dbraw/zinc/60/67/55/392606755.db2.gz PKFXTGHBGDIDJW-UHFFFAOYSA-N -2 3 273.174 1.176 20 0 CDADHL O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cncc([O-])c1 ZINC000171762364 392606757 /nfs/dbraw/zinc/60/67/57/392606757.db2.gz PKFXTGHBGDIDJW-UHFFFAOYSA-N -2 3 273.174 1.176 20 0 CDADHL CCSCCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000306069824 397925446 /nfs/dbraw/zinc/92/54/46/397925446.db2.gz ZTZQGAJLSYUSER-UHFFFAOYSA-N -2 3 293.366 1.399 20 0 CDADHL O=C([O-])[C@@H]1C[C@@H](O)[C@@H]([N-]c2nc(-c3ccccc3)no2)C1 ZINC000662898206 413675317 /nfs/dbraw/zinc/67/53/17/413675317.db2.gz ZTTGQJVUKYCYRG-GARJFASQSA-N -2 3 289.291 1.373 20 0 CDADHL C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000037413028 173189568 /nfs/dbraw/zinc/18/95/68/173189568.db2.gz HCPJSQCJJVXJIH-LURJTMIESA-N -2 3 279.264 1.106 20 0 CDADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cccs1)C1CCC1 ZINC000663254788 414088050 /nfs/dbraw/zinc/08/80/50/414088050.db2.gz BNFYAMSGXMFCAY-SECBINFHSA-N -2 3 289.378 1.527 20 0 CDADHL CCN(CCC(=O)[O-])C(=O)c1c[n-]c2ccccc2c1=O ZINC000038022544 174003884 /nfs/dbraw/zinc/00/38/84/174003884.db2.gz QEQCBPOQOPAGPX-UHFFFAOYSA-N -2 3 288.303 1.465 20 0 CDADHL COc1ccc([O-])c(C(=O)N[C@@]2(C(=O)[O-])CCSC2)c1 ZINC000043509010 175059856 /nfs/dbraw/zinc/05/98/56/175059856.db2.gz YXJHIZAXRNNHEN-ZDUSSCGKSA-N -2 3 297.332 1.091 20 0 CDADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](C(=O)[O-])C1CC1 ZINC000547577248 289787522 /nfs/dbraw/zinc/78/75/22/289787522.db2.gz HXBXPKTYBBRXSH-SNVBAGLBSA-N -2 3 287.312 1.276 20 0 CDADHL CCc1cc(=O)[n-]c(CN2[C@@H](C)CC(C(=O)[O-])C[C@@H]2C)n1 ZINC000530174213 271131545 /nfs/dbraw/zinc/13/15/45/271131545.db2.gz IUYWWCLVPQGBJC-UWVGGRQHSA-N -2 3 293.367 1.818 20 0 CDADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000113928974 279336831 /nfs/dbraw/zinc/33/68/31/279336831.db2.gz KIJDNWIMNMLQFQ-UHFFFAOYSA-N -3 3 293.300 1.891 20 0 CDADHL Cc1csc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CCC2)c1 ZINC000562643680 293163759 /nfs/dbraw/zinc/16/37/59/293163759.db2.gz ALTCRCOUSBEEAR-JTQLQIEISA-N -2 3 289.378 1.588 20 0 CDADHL Cc1csc(S(=O)(=O)[N-]C[C@H](C)CCC(=O)[O-])c1 ZINC000562643707 293163763 /nfs/dbraw/zinc/16/37/63/293163763.db2.gz BGKWIWUSGXELIB-MRVPVSSYSA-N -2 3 291.394 1.836 20 0 CDADHL O=C(N=c1cc2ccccn2[n-]1)c1c(F)ccc([O-])c1F ZINC000564646788 293384845 /nfs/dbraw/zinc/38/48/45/293384845.db2.gz KWRPTEVWSGZWQW-UHFFFAOYSA-N -2 3 289.241 1.992 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]CC2(C3CC3)CCC2)c1 ZINC000564919753 293456853 /nfs/dbraw/zinc/45/68/53/293456853.db2.gz XADPMQPENQREMH-UHFFFAOYSA-N -2 3 299.348 1.836 20 0 CDADHL Cc1cccc([N-]S(=O)(=O)[C@@H]2CCCOC2)c1C(=O)[O-] ZINC000274987917 302005416 /nfs/dbraw/zinc/00/54/16/302005416.db2.gz YPMJVXPOKFUEMV-SNVBAGLBSA-N -2 3 299.348 1.614 20 0 CDADHL CC(C)(CCC(=O)[O-])NC(=O)N=c1cc2ccccn2[n-]1 ZINC000582595627 325005065 /nfs/dbraw/zinc/00/50/65/325005065.db2.gz PQQJZYORPLJUIY-UHFFFAOYSA-N -2 3 290.323 1.521 20 0 CDADHL CC(=O)c1ccc(C(=O)N(CC(=O)[O-])C(C)C)cc1[O-] ZINC000583872317 325257302 /nfs/dbraw/zinc/25/73/02/325257302.db2.gz YZTQPTWOCFWEAR-UHFFFAOYSA-N -2 3 279.292 1.530 20 0 CDADHL COc1cncc(S(=O)(=O)[N-]c2cccc([O-])c2F)c1 ZINC000685001332 482692834 /nfs/dbraw/zinc/69/28/34/482692834.db2.gz AKRDQFZOUGCBRF-UHFFFAOYSA-N -2 3 298.295 1.736 20 0 CDADHL O=C([O-])C1(CNC(=O)c2ccccc2[O-])CCOCC1 ZINC000165913099 482764100 /nfs/dbraw/zinc/76/41/00/482764100.db2.gz KFLBZFSWIWQIJO-UHFFFAOYSA-N -2 3 279.292 1.003 20 0 CDADHL CCn1nccc1C=Cc1ncc(C(=O)[O-])c(=O)[n-]1 ZINC000670369878 482845087 /nfs/dbraw/zinc/84/50/87/482845087.db2.gz HLPKYNJQWCKUTH-ONEGZZNKSA-N -2 3 260.253 1.267 20 0 CDADHL COc1ccc([O-])c(C(=O)N[C@H]2CCC[C@]2(C)C(=O)[O-])c1 ZINC000164603809 483319545 /nfs/dbraw/zinc/31/95/45/483319545.db2.gz SVXNEHSDYYJYBF-WFASDCNBSA-N -2 3 293.319 1.774 20 0 CDADHL C[C@H]1C[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000052276333 524853882 /nfs/dbraw/zinc/85/38/82/524853882.db2.gz UZNOTGSZNSYTDU-RCOVLWMOSA-N -2 3 273.285 1.211 20 0 CDADHL O=C([O-])CCNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000095141626 1174497188 /nfs/dbraw/zinc/49/71/88/1174497188.db2.gz ZJOAHLYDIPFDIT-UHFFFAOYSA-N -2 3 267.676 1.407 20 0 CDADHL O=C([O-])CCNc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000095141626 1174497189 /nfs/dbraw/zinc/49/71/89/1174497189.db2.gz ZJOAHLYDIPFDIT-UHFFFAOYSA-N -2 3 267.676 1.407 20 0 CDADHL CCN(CC(=O)[O-])Cn1[n-]c(C(C)(C)C)nc1=S ZINC000737078840 575813544 /nfs/dbraw/zinc/81/35/44/575813544.db2.gz FGSHEVOKKJIJLL-UHFFFAOYSA-N -2 3 272.374 1.602 20 0 CDADHL O=C([O-])NCCCC(=O)Nc1n[n-]c(-c2cccs2)n1 ZINC000739965927 576404632 /nfs/dbraw/zinc/40/46/32/576404632.db2.gz FTGHSZYUAJHXES-UHFFFAOYSA-N -2 3 295.324 1.520 20 0 CDADHL Cc1nc(C(C)C)[n-]c(=O)c1C(=O)[N-]O[C@H]1CCCCO1 ZINC000747377003 576867637 /nfs/dbraw/zinc/86/76/37/576867637.db2.gz JHAXVGVYNRTTTE-JTQLQIEISA-N -2 3 295.339 1.802 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)CCCc1nccs1 ZINC001601994549 1175103830 /nfs/dbraw/zinc/10/38/30/1175103830.db2.gz DMQHAFYJQAOFJW-UHFFFAOYSA-N -2 3 272.326 1.378 20 0 CDADHL O=C([O-])c1cccc(C(=O)N2CCc3nc[n-]c(=O)c3C2)c1 ZINC000821548114 598142997 /nfs/dbraw/zinc/14/29/97/598142997.db2.gz CQUZUYFJQXHZNM-UHFFFAOYSA-N -2 3 299.286 1.079 20 0 CDADHL CCc1cccc(C(=O)N(CC(=O)[O-])C(C)C)c1[O-] ZINC000820485914 598149262 /nfs/dbraw/zinc/14/92/62/598149262.db2.gz VETBEISYRSNCMG-UHFFFAOYSA-N -2 3 265.309 1.890 20 0 CDADHL CCOCCCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000384268302 599771694 /nfs/dbraw/zinc/77/16/94/599771694.db2.gz QXVAPYDKXIAHLP-UHFFFAOYSA-N -2 3 291.325 1.073 20 0 CDADHL Cc1ccc(C(=O)N(C)[C@H](COC(C)C)C(=O)[O-])c([O-])c1 ZINC000832911491 604393152 /nfs/dbraw/zinc/39/31/52/604393152.db2.gz OIZZAYMNGNGUTD-GFCCVEGCSA-N -2 3 295.335 1.651 20 0 CDADHL O=C(NCCCc1c[n-][nH]c1=O)c1ccc([O-])c(Cl)c1 ZINC000898730597 621852006 /nfs/dbraw/zinc/85/20/06/621852006.db2.gz ZYNYOEFSUHUVRH-VIFPVBQESA-N -2 3 295.726 1.287 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000903549763 626022717 /nfs/dbraw/zinc/02/27/17/626022717.db2.gz RIPAIXNAQWTXCY-OYNCUSHFSA-N -2 3 285.321 1.445 20 0 CDADHL CC(C)[C@H](NC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000908187040 628059169 /nfs/dbraw/zinc/05/91/69/628059169.db2.gz MBNZSZXJTWBXHC-LBPRGKRZSA-N -2 3 269.272 1.299 20 0 CDADHL O=C([O-])C12CCC(C(=O)[N-]OC3CCC3)(CC1)C2 ZINC000911814230 629507624 /nfs/dbraw/zinc/50/76/24/629507624.db2.gz PLHCWJSZBZYUQS-UHFFFAOYSA-N -2 3 253.298 1.622 20 0 CDADHL C[C@H](CC(=O)[O-])CC(=O)[N-]OCc1cccnc1 ZINC000911806988 629537760 /nfs/dbraw/zinc/53/77/60/629537760.db2.gz SDXUMKJSUVOIIY-VIFPVBQESA-N -2 3 252.270 1.130 20 0 CDADHL Cc1cccc(CO[N-]C(=O)C[C@@H](C)CC(=O)[O-])n1 ZINC000911820936 629549022 /nfs/dbraw/zinc/54/90/22/629549022.db2.gz FATCTIQALNVVQH-SECBINFHSA-N -2 3 266.297 1.439 20 0 CDADHL O=C([O-])CCNc1cccc(Cl)c1-c1nnn[n-]1 ZINC000095150748 1158537015 /nfs/dbraw/zinc/53/70/15/1158537015.db2.gz KKZPJGXJKWIZGC-UHFFFAOYSA-N -2 3 267.676 1.407 20 0 CDADHL O=C([O-])CCNc1cccc(Cl)c1-c1nn[n-]n1 ZINC000095150748 1158537017 /nfs/dbraw/zinc/53/70/17/1158537017.db2.gz KKZPJGXJKWIZGC-UHFFFAOYSA-N -2 3 267.676 1.407 20 0 CDADHL C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2occc2C(=O)[O-])C1 ZINC001604700126 1163289164 /nfs/dbraw/zinc/28/91/64/1163289164.db2.gz OLEWITJUXDVBEX-DTWKUNHWSA-N -2 3 287.337 1.692 20 0 CDADHL Cc1cccnc1C(F)(F)C(=O)[N-]c1cc(C(=O)[O-])no1 ZINC001607888301 1164322025 /nfs/dbraw/zinc/32/20/25/1164322025.db2.gz SCPPHWDQSQCBKZ-UHFFFAOYSA-N -2 3 297.217 1.807 20 0 CDADHL O=C([O-])c1cccc(CC(=O)[N-]OC/C=C\Cl)c1 ZINC001608364550 1164498083 /nfs/dbraw/zinc/49/80/83/1164498083.db2.gz RPUFPCYTDMMMGA-DJWKRKHSSA-N -2 3 269.684 1.728 20 0 CDADHL O=C([O-])c1cc(NCc2cc(=O)[n-]c(C3CC3)n2)ncn1 ZINC001608857077 1164664192 /nfs/dbraw/zinc/66/41/92/1164664192.db2.gz JWNGZODAOUMMPL-UHFFFAOYSA-N -2 3 287.279 1.160 20 0 CDADHL Cn1cc(NC(=O)[N-]O[C@H]2CCCCO2)cc1C(=O)[O-] ZINC001610606115 1165374634 /nfs/dbraw/zinc/37/46/34/1165374634.db2.gz YRYWKTAOFDATPQ-JTQLQIEISA-N -2 3 283.284 1.303 20 0 CDADHL C[C@H](Sc1n[nH]c(=O)[n-]1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590037984 1173236938 /nfs/dbraw/zinc/23/69/38/1173236938.db2.gz VOZIGWWKXCMUOX-LURJTMIESA-N -2 3 289.324 1.544 20 0 CDADHL C[C@H](Sc1n[nH]c(=O)[n-]1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590037984 1173236943 /nfs/dbraw/zinc/23/69/43/1173236943.db2.gz VOZIGWWKXCMUOX-LURJTMIESA-N -2 3 289.324 1.544 20 0 CDADHL C[C@H](Nc1nc(C(C)(C)C)ccc1-c1nnn[n-]1)C(=O)[O-] ZINC001591770315 1173696951 /nfs/dbraw/zinc/69/69/51/1173696951.db2.gz RLKOFYFURNFFCH-ZETCQYMHSA-N -2 3 290.327 1.444 20 0 CDADHL C[C@H](Nc1nc(C(C)(C)C)ccc1-c1nn[n-]n1)C(=O)[O-] ZINC001591770315 1173696954 /nfs/dbraw/zinc/69/69/54/1173696954.db2.gz RLKOFYFURNFFCH-ZETCQYMHSA-N -2 3 290.327 1.444 20 0 CDADHL Cc1cc(C)n(CCCC(=O)[N-]OCCCC(=O)[O-])n1 ZINC001600179598 1174388941 /nfs/dbraw/zinc/38/89/41/1174388941.db2.gz NWDUBXZDKNLALX-UHFFFAOYSA-N -2 3 283.328 1.193 20 0 CDADHL Cc1nc2c(c(=O)[n-]1)CN([C@@H](C)c1ccc(C(=O)[O-])o1)C2 ZINC001600718461 1174579874 /nfs/dbraw/zinc/57/98/74/1174579874.db2.gz QHWGYCPTMIOOPA-ZETCQYMHSA-N -2 3 289.291 1.859 20 0 CDADHL O=C([O-])c1ccc(CC(=O)[N-]OCC2CCC2)cn1 ZINC001601358021 1174844559 /nfs/dbraw/zinc/84/45/59/1174844559.db2.gz HFFOHLVAACFMLW-UHFFFAOYSA-N -2 3 264.281 1.170 20 0 CDADHL CC(C)(C)O[N-]C(=O)c1n[n-]c2ccccc2c1=O ZINC000126367285 1175459431 /nfs/dbraw/zinc/45/94/31/1175459431.db2.gz UOLUENGQQYGVFV-UHFFFAOYSA-N -2 3 261.281 1.383 20 0 CDADHL CC(C)c1ccc(C(=O)NC[C@H](F)C(=O)[O-])c([O-])c1 ZINC001603996571 1175712146 /nfs/dbraw/zinc/71/21/46/1175712146.db2.gz IVHMZZNLDBVWFG-JTQLQIEISA-N -2 3 269.272 1.668 20 0 CDADHL CC[C@@H](CNc1cc(C)cc(-c2nnn[n-]2)n1)C(=O)[O-] ZINC001604037623 1175728787 /nfs/dbraw/zinc/72/87/87/1175728787.db2.gz GUEKOUBZTCJAOL-QMMMGPOBSA-N -2 3 276.300 1.093 20 0 CDADHL Cc1[n-]ncc1S(=O)(=O)Oc1ccc(C)cc1C(=O)[O-] ZINC001607816365 1164306819 /nfs/dbraw/zinc/30/68/19/1164306819.db2.gz SEALJULZKQFHIH-UHFFFAOYSA-N -2 3 296.304 1.492 20 0 CDADHL CC(C)(NC(=O)c1cc([O-])ccc1Cl)C(=O)[O-] ZINC000232530020 730681684 /nfs/dbraw/zinc/68/16/84/730681684.db2.gz UWKYPFLJRFDXGP-UHFFFAOYSA-N -2 3 257.673 1.639 20 0 CDADHL O=C([O-])C[C@@H]1COCCN1C(=O)c1cc([O-])ccc1Cl ZINC000236433036 898372774 /nfs/dbraw/zinc/37/27/74/898372774.db2.gz CRDGNRKRNSGBIF-MRVPVSSYSA-N -2 3 299.710 1.361 20 0 CDADHL COC(=O)c1cccc([O-])c1[N-]S(=O)(=O)CCCF ZINC001189908390 921712045 /nfs/dbraw/zinc/71/20/45/921712045.db2.gz IAGIXBHNGXSSJF-UHFFFAOYSA-N -2 3 291.300 1.280 20 0 CDADHL COc1ccc([C@@H](C)OCCP(=O)([O-])[O-])cn1 ZINC001224608074 941775065 /nfs/dbraw/zinc/77/50/65/941775065.db2.gz YQMZAFPQQNCKPT-MRVPVSSYSA-N -2 3 261.214 1.346 20 0 CDADHL COC(=O)[C@H]1CC[C@@H](OCCCCP(=O)([O-])[O-])CC1 ZINC001225018661 941814447 /nfs/dbraw/zinc/81/44/47/941814447.db2.gz DVLXBJOTUJCLMR-PHIMTYICSA-N -2 3 294.284 1.693 20 0 CDADHL C[C@H](Oc1nc(=O)[n-]c(=O)[n-]1)c1cnc2ccccn21 ZINC001227567017 942189456 /nfs/dbraw/zinc/18/94/56/942189456.db2.gz LSMFWWCJGBTRNL-ZETCQYMHSA-N -2 3 273.252 1.071 20 0 CDADHL O=c1nc2nc(Br)[n-]c2c(OC2CC=CC2)[n-]1 ZINC001227594213 942192052 /nfs/dbraw/zinc/19/20/52/942192052.db2.gz KXQKBKVOAJBIIH-UHFFFAOYSA-N -2 3 297.112 1.918 20 0 CDADHL Cc1ccc(-c2nc(NC(=O)[C@H](C)C(=O)[O-])n[n-]2)o1 ZINC001611167157 970919902 /nfs/dbraw/zinc/91/99/02/970919902.db2.gz CALFDPKMMMTADL-LURJTMIESA-N -2 3 264.241 1.032 20 0 CDADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)CC(C)C ZINC001259887236 945682427 /nfs/dbraw/zinc/68/24/27/945682427.db2.gz RRQVJEURUDKTPC-UHFFFAOYSA-N -2 3 287.337 1.577 20 0 CDADHL Cc1cc(-c2nccnc2CC(=O)[O-])cc([O-])c1F ZINC001244508092 947403100 /nfs/dbraw/zinc/40/31/00/947403100.db2.gz TXLSPNYMRLPATC-UHFFFAOYSA-N -2 3 262.240 1.924 20 0 CDADHL O=C([O-])c1cc(NC(=O)c2cccc(O)c2[O-])ccn1 ZINC000126027349 949261909 /nfs/dbraw/zinc/26/19/09/949261909.db2.gz CWFRMBNYGWSBOJ-UHFFFAOYSA-N -2 3 274.232 1.443 20 0 CDADHL O=C([O-])[C@@H](CC(F)(F)F)NC(=O)c1ccc(O)cc1[O-] ZINC000380051382 971671861 /nfs/dbraw/zinc/67/18/61/971671861.db2.gz CIBDTGSFEYNIRK-SSDOTTSWSA-N -2 3 293.197 1.233 20 0 CDADHL CC(C)c1ncc(C(=O)NCc2nc([O-])cc(=O)[n-]2)s1 ZINC001363484925 972199917 /nfs/dbraw/zinc/19/99/17/972199917.db2.gz KMCISYSPZPEMBM-UHFFFAOYSA-N -2 3 294.336 1.398 20 0 CDADHL Cc1nnc([N-]C(=O)c2cc(C(=O)[O-])co2)s1 ZINC000123695294 958507048 /nfs/dbraw/zinc/50/70/48/958507048.db2.gz ZMYNFVJNOUQCRM-UHFFFAOYSA-N -2 3 253.239 1.390 20 0 CDADHL COc1cccc(C(=O)Nc2n[nH]cc2C(=O)[O-])c1[O-] ZINC001574233461 960428414 /nfs/dbraw/zinc/42/84/14/960428414.db2.gz OFVMZWIMCRACJG-UHFFFAOYSA-N -2 3 277.236 1.074 20 0 CDADHL CSc1cc(C(=O)NCc2nc([O-])cc(=O)[n-]2)c(C)o1 ZINC001418619573 960812476 /nfs/dbraw/zinc/81/24/76/960812476.db2.gz HOJUGZUYZBWMPR-UHFFFAOYSA-N -2 3 295.320 1.441 20 0 CDADHL CC(C)C[C@H](CNC(=O)c1ccc(O)cc1[O-])CC(=O)[O-] ZINC000088272572 967584348 /nfs/dbraw/zinc/58/43/48/967584348.db2.gz ZRHOGWGPELKQHQ-JTQLQIEISA-N -2 3 295.335 1.965 20 0 CDADHL Cc1cccc([O-])c1C(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000706611941 969017094 /nfs/dbraw/zinc/01/70/94/969017094.db2.gz NVKZLDNLIRPOCJ-MWLCHTKSSA-N -2 3 277.320 1.883 20 0 CDADHL Cc1cccc([O-])c1C(=O)N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC000706611929 969018275 /nfs/dbraw/zinc/01/82/75/969018275.db2.gz NVKZLDNLIRPOCJ-GXSJLCMTSA-N -2 3 277.320 1.883 20 0 CDADHL C[C@H](C(=O)[O-])C(=O)Nc1cc(Br)ccc1[O-] ZINC001609701316 970472822 /nfs/dbraw/zinc/47/28/22/970472822.db2.gz YYVYDUQICYRWBU-YFKPBYRVSA-N -2 3 288.097 1.814 20 0 CDADHL C[C@H](C(=O)[O-])c1noc(-c2cc3c(cc2[O-])OCO3)n1 ZINC001609717777 970493134 /nfs/dbraw/zinc/49/31/34/970493134.db2.gz DZLBTWWRQYDAQX-YFKPBYRVSA-N -2 3 278.220 1.359 20 0 CDADHL CCCCOc1ccc(C(=O)NCC(=O)[O-])c([O-])c1 ZINC001610205947 970700701 /nfs/dbraw/zinc/70/07/01/970700701.db2.gz PJEPRVYJFGHBHE-UHFFFAOYSA-N -2 3 267.281 1.386 20 0 CDADHL CC1([N-]S(=O)(=O)c2scnc2C(=O)[O-])CC=CC1 ZINC000702102205 977063650 /nfs/dbraw/zinc/06/36/50/977063650.db2.gz LRWKCYRHWVQZNA-UHFFFAOYSA-N -2 3 288.350 1.228 20 0 CDADHL C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C1(C)CC1 ZINC000706548030 977353208 /nfs/dbraw/zinc/35/32/08/977353208.db2.gz PCSKRYKLKQQGBA-ZETCQYMHSA-N -2 3 273.310 1.445 20 0 CDADHL CCCC[C@@H](OC(=O)c1cc(F)cc2n[n-]nc21)C(=O)[O-] ZINC001595651723 982025083 /nfs/dbraw/zinc/02/50/83/982025083.db2.gz WKFSCCXSQJZDJZ-SNVBAGLBSA-N -2 3 295.270 1.897 20 0 CDADHL CC(C)(C)[C@@H](NC(=O)c1ccc(N)cc1[O-])C(=O)[O-] ZINC001589718506 987875482 /nfs/dbraw/zinc/87/54/82/987875482.db2.gz OKUFFIREFPSFMZ-JTQLQIEISA-N -2 3 266.297 1.204 20 0 CDADHL CN(C(=O)c1cc2c(cc1[O-])OCO2)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598079310 990392898 /nfs/dbraw/zinc/39/28/98/990392898.db2.gz WTSQSISRGJYGJH-OCAPTIKFSA-N -2 3 293.275 1.056 20 0 CDADHL C[C@H](CSCC[N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000592450763 342693464 /nfs/dbraw/zinc/69/34/64/342693464.db2.gz PDUZDWGYGTZDTQ-MRVPVSSYSA-N -2 3 293.366 1.012 20 0 CDADHL CCC[C@@H](CNC(=O)c1ccc(OC)cc1[O-])C(=O)[O-] ZINC000087489866 345718892 /nfs/dbraw/zinc/71/88/92/345718892.db2.gz NZHNESKKHWKULH-VIFPVBQESA-N -2 3 281.308 1.632 20 0 CDADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](C)CC(=O)[O-] ZINC000274943029 365863714 /nfs/dbraw/zinc/86/37/14/365863714.db2.gz RIBREALVOGIBMF-QMMMGPOBSA-N -2 3 275.301 1.276 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]CC2CC(C)C2)cc1C(=O)[O-] ZINC000622039754 350946746 /nfs/dbraw/zinc/94/67/46/350946746.db2.gz RKCSAYGIHXLEQD-UHFFFAOYSA-N -2 3 287.337 1.611 20 0 CDADHL COCCS(=O)(=O)[N-]c1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC000265648390 363363740 /nfs/dbraw/zinc/36/37/40/363363740.db2.gz SWFAKXCGXAXKII-UHFFFAOYSA-N -2 3 298.320 1.254 20 0 CDADHL COCCS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Cl ZINC000042808296 357081471 /nfs/dbraw/zinc/08/14/71/357081471.db2.gz LTFJWNDEJIDLER-UHFFFAOYSA-N -2 3 293.728 1.426 20 0 CDADHL Cc1ccc(F)c(S(=O)(=O)[N-]C[C@H](C)C(=O)[O-])c1 ZINC000054334112 357318016 /nfs/dbraw/zinc/31/80/16/357318016.db2.gz RXSNJYJXPWVBBA-QMMMGPOBSA-N -2 3 275.301 1.133 20 0 CDADHL O=C(N=c1ccc([O-])n[n-]1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000637130850 359253115 /nfs/dbraw/zinc/25/31/15/359253115.db2.gz VCCZMGSPBRWNNV-ZDUSSCGKSA-N -2 3 298.346 1.065 20 0 CDADHL C[C@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000131771996 361143613 /nfs/dbraw/zinc/14/36/13/361143613.db2.gz MENQOHJRTWIIGV-BQBZGAKWSA-N -2 3 275.351 1.381 20 0 CDADHL O=C(c1ccc(F)cc1[O-])N1CCc2c(=O)[n-]cnc2C1 ZINC000436551844 361530824 /nfs/dbraw/zinc/53/08/24/361530824.db2.gz AODKFULAVORLMB-UHFFFAOYSA-N -2 3 289.266 1.225 20 0 CDADHL O=C([N-]OCC1CC1)c1ccc2n[n-]c(=S)n2c1 ZINC000293793589 370799229 /nfs/dbraw/zinc/79/92/29/370799229.db2.gz OXMSZEPIJICUJE-UHFFFAOYSA-N -2 3 264.310 1.089 20 0 CDADHL O=C([O-])[C@H]1CC[C@H](C(=O)Nc2cc(F)ccc2[O-])O1 ZINC000276116021 193218201 /nfs/dbraw/zinc/21/82/01/193218201.db2.gz LADHJTXHJXKJCS-NXEZZACHSA-N -2 3 269.228 1.102 20 0 CDADHL COC(=O)CCS(=O)(=O)[N-]c1c(C)cccc1[O-] ZINC000042536287 374336146 /nfs/dbraw/zinc/33/61/46/374336146.db2.gz JTRMGGBDUFNZLE-UHFFFAOYSA-N -2 3 273.310 1.005 20 0 CDADHL O=C(/C=C\c1cncc([O-])c1)[N-]O[C@H]1CCCCO1 ZINC000492392487 253210098 /nfs/dbraw/zinc/21/00/98/253210098.db2.gz CRCXINADUODVFM-ZFDPJTLLSA-N -2 3 264.281 1.375 20 0 CDADHL O=C(N=c1ccc([O-])n[n-]1)[C@H]1CCCC[C@@H]1C1CC1 ZINC000648359382 391810246 /nfs/dbraw/zinc/81/02/46/391810246.db2.gz FGLAUVUKFRMQDI-MNOVXSKESA-N -2 3 261.325 1.759 20 0 CDADHL CCC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1F)C(=O)[O-] ZINC000262454715 131221854 /nfs/dbraw/zinc/22/18/54/131221854.db2.gz RKBFNLLUAYYWSH-SNVBAGLBSA-N -2 3 289.328 1.666 20 0 CDADHL O=C(Nc1ccccc1[O-])c1ccc2oc(=O)nc-2[n-]1 ZINC000646602588 392589031 /nfs/dbraw/zinc/58/90/31/392589031.db2.gz ZEMYUXXGABDHJH-UHFFFAOYSA-N -2 3 271.232 1.886 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]C[C@H]2C[C@@H]2C)cc1C(=O)[O-] ZINC000516968706 392802291 /nfs/dbraw/zinc/80/22/91/392802291.db2.gz ZJDHKJLYGRKEMN-POYBYMJQSA-N -2 3 273.310 1.221 20 0 CDADHL Cc1cnn(C)c1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000349105810 154052394 /nfs/dbraw/zinc/05/23/94/154052394.db2.gz HMCDZXBANMKMBR-PLNGDYQASA-N -2 3 288.307 1.330 20 0 CDADHL CC(C)(C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000021957825 171342012 /nfs/dbraw/zinc/34/20/12/171342012.db2.gz DKYAJLYVKNZSQJ-UHFFFAOYSA-N -2 3 293.291 1.740 20 0 CDADHL CC(C)C[C@@H](NC(=O)c1ccccc1[O-])C(=O)[O-] ZINC000022142525 171355405 /nfs/dbraw/zinc/35/54/05/171355405.db2.gz ZLFWKARDOQUBNX-SNVBAGLBSA-N -2 3 251.282 1.621 20 0 CDADHL COc1ccc([O-])c(C(=O)N(CC(=O)[O-])CC(C)(C)C)c1 ZINC000659785352 414111832 /nfs/dbraw/zinc/11/18/32/414111832.db2.gz WAHIRMAWBDDVMS-UHFFFAOYSA-N -2 3 295.335 1.974 20 0 CDADHL CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc(OC)cc1[O-] ZINC000037589662 270224423 /nfs/dbraw/zinc/22/44/23/270224423.db2.gz KEDPJXXQTOHINX-SECBINFHSA-N -2 3 281.308 1.726 20 0 CDADHL Cc1cc(=O)[n-]c([C@H](C)N2CC[C@@H](C(=O)[O-])[C@@H]2C)n1 ZINC000568523256 294054059 /nfs/dbraw/zinc/05/40/59/294054059.db2.gz YISCUACCQJORHB-LPEHRKFASA-N -2 3 265.313 1.347 20 0 CDADHL C[C@H]1CCN(C(=O)c2ccc3n[n-]nc3c2)C[C@@H]1C(=O)[O-] ZINC000569122452 294162925 /nfs/dbraw/zinc/16/29/25/294162925.db2.gz MSPDLCUTDUUHFA-WPRPVWTQSA-N -2 3 288.307 1.141 20 0 CDADHL CCC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000570916834 294331752 /nfs/dbraw/zinc/33/17/52/294331752.db2.gz PZESLGGDWLSFPS-VHSXEESVSA-N -2 3 289.353 1.837 20 0 CDADHL CC(C)[C@@H](C(=O)[O-])C(=O)Nc1cc(F)ccc1[O-] ZINC000573613565 294852686 /nfs/dbraw/zinc/85/26/86/294852686.db2.gz CFKKMULICIOSFI-SNVBAGLBSA-N -2 3 255.245 1.827 20 0 CDADHL CCCC(C)(C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000576344111 317121662 /nfs/dbraw/zinc/12/16/62/317121662.db2.gz RMEQVDKKHLYKHQ-UHFFFAOYSA-N -2 3 292.382 1.698 20 0 CDADHL CCc1ncc(S(=O)(=O)[N-][C@@H](C)[C@H](C)C(=O)[O-])s1 ZINC000579561485 324216212 /nfs/dbraw/zinc/21/62/12/324216212.db2.gz QEBTZYGIUPOLFR-BQBZGAKWSA-N -2 3 292.382 1.093 20 0 CDADHL CCC[C@H](C)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134666379 483262923 /nfs/dbraw/zinc/26/29/23/483262923.db2.gz ZINJVMCWLYHIEQ-LURJTMIESA-N -2 3 278.355 1.308 20 0 CDADHL C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C1CCC1 ZINC000137667082 483533159 /nfs/dbraw/zinc/53/31/59/483533159.db2.gz GSBJFCKESHHLGO-ZETCQYMHSA-N -2 3 273.310 1.445 20 0 CDADHL O=C([O-])[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)C1CC1 ZINC000054502811 527653355 /nfs/dbraw/zinc/65/33/55/527653355.db2.gz DFHLQOVMLWQNPX-LBPRGKRZSA-N -2 3 286.287 1.121 20 0 CDADHL CC[C@@H](C[N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000087499087 538174660 /nfs/dbraw/zinc/17/46/60/538174660.db2.gz CVLHRELWCLCVFL-QMMMGPOBSA-N -2 3 275.301 1.215 20 0 CDADHL CC(C)[C@H](NC(=O)[O-])C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000736382776 575645344 /nfs/dbraw/zinc/64/53/44/575645344.db2.gz RRTQPHVWVRRUST-BYPYZUCNSA-N -2 3 295.221 1.054 20 0 CDADHL CC(C)[C@H](NC(=O)[O-])C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000736382776 575645346 /nfs/dbraw/zinc/64/53/46/575645346.db2.gz RRTQPHVWVRRUST-BYPYZUCNSA-N -2 3 295.221 1.054 20 0 CDADHL CC(=O)Nc1ccc([O-])c(C(=O)NCCCCC(=O)[O-])c1 ZINC000819789094 598168611 /nfs/dbraw/zinc/16/86/11/598168611.db2.gz YFKREFLRRODPMS-UHFFFAOYSA-N -2 3 294.307 1.335 20 0 CDADHL O=C([O-])[C@@H](CN=c1ncnc2[nH][n-]cc1-2)c1ccccc1 ZINC000833164716 600820540 /nfs/dbraw/zinc/82/05/40/600820540.db2.gz WQBHIXYISMZDNB-JTQLQIEISA-N -2 3 283.291 1.007 20 0 CDADHL CC[C@](C)(CC(=O)[O-])NC(=O)c1ccccc1[O-] ZINC000828645559 601134380 /nfs/dbraw/zinc/13/43/80/601134380.db2.gz QKFBYDKZPPGBTJ-CYBMUJFWSA-N -2 3 251.282 1.765 20 0 CDADHL CC(C)(C(=O)[O-])[C@@H](NC(=O)c1cn[n-]n1)c1ccccc1 ZINC000826103119 604390743 /nfs/dbraw/zinc/39/07/43/604390743.db2.gz NIXLPKGUWOXMEM-NSHDSACASA-N -2 3 288.307 1.387 20 0 CDADHL COC[C@](C)(NC(=O)c1ccc(C(C)C)cc1[O-])C(=O)[O-] ZINC000833722065 604730722 /nfs/dbraw/zinc/73/07/22/604730722.db2.gz YOEOITQMMFASDO-HNNXBMFYSA-N -2 3 295.335 1.735 20 0 CDADHL CSCCO[N-]C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000907894579 627883981 /nfs/dbraw/zinc/88/39/81/627883981.db2.gz GOSAHQVESYYPTB-UHFFFAOYSA-N -2 3 269.326 1.084 20 0 CDADHL CCCN(CC(=O)[O-])C(=O)Cc1ccc([O-])c(F)c1 ZINC000908950774 628430864 /nfs/dbraw/zinc/43/08/64/628430864.db2.gz ZEHBYZQUAURRNN-UHFFFAOYSA-N -2 3 269.272 1.397 20 0 CDADHL C[C@H](C(=O)[O-])N(C)C(=O)NCc1ccc([O-])c(F)c1 ZINC000909047984 628490465 /nfs/dbraw/zinc/49/04/65/628490465.db2.gz KCSZSCGROQZIFG-SSDOTTSWSA-N -2 3 270.260 1.146 20 0 CDADHL C[C@]1(C(=O)[O-])CCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000909304807 628622534 /nfs/dbraw/zinc/62/25/34/628622534.db2.gz UOMHFESFFZMTAQ-AWEZNQCLSA-N -2 3 281.283 1.397 20 0 CDADHL O=C([O-])c1cccc(CC(=O)[N-]OC[C@@H]2CCOC2)c1 ZINC000911802793 629532103 /nfs/dbraw/zinc/53/21/03/629532103.db2.gz JTZWUYAWTXPBTM-LLVKDONJSA-N -2 3 279.292 1.012 20 0 CDADHL CCOc1nc(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)n[n-]1 ZINC001605719916 1163650410 /nfs/dbraw/zinc/65/04/10/1163650410.db2.gz WENTXGAUSPPKKG-UHFFFAOYSA-N -2 3 294.311 1.177 20 0 CDADHL CCOc1n[n-]c(NC(=O)C2(C(=O)[O-])CC3(CCC3)C2)n1 ZINC001605719916 1163650411 /nfs/dbraw/zinc/65/04/11/1163650411.db2.gz WENTXGAUSPPKKG-UHFFFAOYSA-N -2 3 294.311 1.177 20 0 CDADHL O=C([O-])Cc1cccc(NC(=O)c2c([O-])cccc2O)n1 ZINC001608786797 1164637442 /nfs/dbraw/zinc/63/74/42/1164637442.db2.gz QYBWRNWQPRHANC-UHFFFAOYSA-N -2 3 288.259 1.372 20 0 CDADHL O=C([O-])c1sccc1COC(=O)c1cncc([O-])c1 ZINC001610879991 1165473154 /nfs/dbraw/zinc/47/31/54/1165473154.db2.gz MZQGVJGIRWVUPO-UHFFFAOYSA-N -2 3 279.273 1.904 20 0 CDADHL O=C([O-])[C@H](NC(=O)c1ccccc1[O-])C1CCOCC1 ZINC001601394461 1174854835 /nfs/dbraw/zinc/85/48/35/1174854835.db2.gz OIDVSUFYBQABEG-GFCCVEGCSA-N -2 3 279.292 1.002 20 0 CDADHL O=C([O-])CSCCC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001602099068 1175130422 /nfs/dbraw/zinc/13/04/22/1175130422.db2.gz PGZNGZIMRCTJET-UHFFFAOYSA-N -2 3 296.308 1.211 20 0 CDADHL O=C([O-])c1ccc(F)c(COC(=O)c2cncc([O-])c2)c1 ZINC001602362594 1175224172 /nfs/dbraw/zinc/22/41/72/1175224172.db2.gz MWUGFTIXAGYBJO-UHFFFAOYSA-N -2 3 291.234 1.982 20 0 CDADHL CC(C)(C)c1ccc(-c2nnn[n-]2)c(SCC(=O)[O-])n1 ZINC001603115766 1175492827 /nfs/dbraw/zinc/49/28/27/1175492827.db2.gz KHEHSQREMCTOMN-UHFFFAOYSA-N -2 3 293.352 1.736 20 0 CDADHL CC(C)(C)c1ccc(-c2nn[n-]n2)c(SCC(=O)[O-])n1 ZINC001603115766 1175492830 /nfs/dbraw/zinc/49/28/30/1175492830.db2.gz KHEHSQREMCTOMN-UHFFFAOYSA-N -2 3 293.352 1.736 20 0 CDADHL O=C([N-]OC/C=C\Cl)C(=O)c1ccc([O-])cc1 ZINC000812406028 735212998 /nfs/dbraw/zinc/21/29/98/735212998.db2.gz APYMXYMAMPBNAX-BHQIHCQQSA-N -2 3 255.657 1.375 20 0 CDADHL CCc1nn(C)cc1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000882710741 735726711 /nfs/dbraw/zinc/72/67/11/735726711.db2.gz PRLXNAFRYAQRDO-UHFFFAOYSA-N -2 3 299.327 1.628 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C[C@H]1CCCC12CC2 ZINC000871995312 733373896 /nfs/dbraw/zinc/37/38/96/733373896.db2.gz ROXNZUZUBHENIE-SECBINFHSA-N -2 3 299.348 1.836 20 0 CDADHL CCc1ccc([O-])c(C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)c1 ZINC001610063221 1165200825 /nfs/dbraw/zinc/20/08/25/1165200825.db2.gz TVEDVQBESOVJLQ-KOLCDFICSA-N -2 3 277.320 1.890 20 0 CDADHL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]CC(F)F ZINC001610806802 1165445333 /nfs/dbraw/zinc/44/53/33/1165445333.db2.gz VJMZGNITNPYUHD-UHFFFAOYSA-N -2 3 283.227 1.067 20 0 CDADHL CC[C@H](C)[C@@H](Sc1ncc(C(=O)OC)[n-]1)C(=O)[O-] ZINC001604941864 1167875091 /nfs/dbraw/zinc/87/50/91/1167875091.db2.gz AVZPMGHKDLBMQW-POYBYMJQSA-N -2 3 272.326 1.788 20 0 CDADHL Cc1cccc([O-])c1C(=O)NC1C(=O)N=CN=C1[O-] ZINC001188640797 921143301 /nfs/dbraw/zinc/14/33/01/921143301.db2.gz ZGCBIMLAVNHUQU-UHFFFAOYSA-N -2 3 261.237 1.154 20 0 CDADHL COc1ccc([C@H](C)OCCP(=O)([O-])[O-])cc1OC ZINC001224602218 909916272 /nfs/dbraw/zinc/91/62/72/909916272.db2.gz OZVQEJBNCOAKBD-VIFPVBQESA-N -2 3 290.252 1.959 20 0 CDADHL C[C@H]([N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-])C1CC1 ZINC001180175967 916170740 /nfs/dbraw/zinc/17/07/40/916170740.db2.gz GGEURHKEDANXIM-BYPYZUCNSA-N -2 3 257.183 1.256 20 0 CDADHL CCC1(CC)C[C@@H]1C(=O)NCCCCP(=O)([O-])[O-] ZINC001181888597 917448198 /nfs/dbraw/zinc/44/81/98/917448198.db2.gz MQRKGFKLWVWSSR-SNVBAGLBSA-N -2 3 277.301 1.887 20 0 CDADHL Cc1cc(C)c(NC(=O)NCCP(=O)([O-])[O-])c(C)c1 ZINC001182037759 917602227 /nfs/dbraw/zinc/60/22/27/917602227.db2.gz FUPFVCXHGLLBSY-UHFFFAOYSA-N -2 3 286.268 1.911 20 0 CDADHL Cc1ccc(NC(=O)NCCP(=O)([O-])[O-])cc1F ZINC001187999682 920775008 /nfs/dbraw/zinc/77/50/08/920775008.db2.gz HQJWAFYALGRZPA-UHFFFAOYSA-N -2 3 276.204 1.433 20 0 CDADHL COC(=O)c1cccc([O-])c1[N-]S(=O)(=O)C1CCC1 ZINC001188137479 920853432 /nfs/dbraw/zinc/85/34/32/920853432.db2.gz GAXYQGKOWFUHSM-UHFFFAOYSA-N -2 3 285.321 1.473 20 0 CDADHL CO[C@@H](C)CO[C@H](C)COCCCCP(=O)([O-])[O-] ZINC001225020547 941814686 /nfs/dbraw/zinc/81/46/86/941814686.db2.gz PMHVVQLTPHQETI-WDEREUQCSA-N -2 3 284.289 1.401 20 0 CDADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCF)c(Cl)cc1F ZINC001194021735 924021770 /nfs/dbraw/zinc/02/17/70/924021770.db2.gz JSTCYJIHSFCMRV-UHFFFAOYSA-N -2 3 299.682 1.425 20 0 CDADHL [CH2]CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195260292 924514068 /nfs/dbraw/zinc/51/40/68/924514068.db2.gz UYGOXLNQDRAYSY-UHFFFAOYSA-N -3 3 278.256 1.165 20 0 CDADHL Cc1ccc([O-])c(C(=O)Nc2nnc(C(F)(F)F)[n-]2)n1 ZINC001195318662 924547583 /nfs/dbraw/zinc/54/75/83/924547583.db2.gz MKHKGGFCUYGVOE-UHFFFAOYSA-N -2 3 287.201 1.485 20 0 CDADHL Cc1ccc([O-])c(C(=O)Nc2nc(C(F)(F)F)n[n-]2)n1 ZINC001195318662 924547589 /nfs/dbraw/zinc/54/75/89/924547589.db2.gz MKHKGGFCUYGVOE-UHFFFAOYSA-N -2 3 287.201 1.485 20 0 CDADHL O=S(=O)(Cc1cccnc1)[N-]c1ccc(F)cc1[O-] ZINC001197454746 925153861 /nfs/dbraw/zinc/15/38/61/925153861.db2.gz KPCTWGKEBXFVEK-UHFFFAOYSA-N -2 3 282.296 1.868 20 0 CDADHL Cc1coc(C[N-]S(=O)(=O)c2ccccc2C(=O)[O-])n1 ZINC001198739169 925506305 /nfs/dbraw/zinc/50/63/05/925506305.db2.gz DQCRHNZLUYANOG-UHFFFAOYSA-N -2 3 296.304 1.160 20 0 CDADHL Cc1ccccc1NC(=O)NCCP(=O)([O-])[O-] ZINC001202189092 926491029 /nfs/dbraw/zinc/49/10/29/926491029.db2.gz MCQBHHSALNERKB-UHFFFAOYSA-N -2 3 258.214 1.294 20 0 CDADHL CCOC(=O)C(F)(F)[C@@H](CC)OCCP(=O)([O-])[O-] ZINC001224606234 941775832 /nfs/dbraw/zinc/77/58/32/941775832.db2.gz NDSBOVQRJNUSHT-SSDOTTSWSA-N -2 3 290.199 1.158 20 0 CDADHL C[C@H]1COCC[C@@H]1OCCCCP(=O)([O-])[O-] ZINC001225019307 941815295 /nfs/dbraw/zinc/81/52/95/941815295.db2.gz CJFBQSIGXAUKHQ-UWVGGRQHSA-N -2 3 252.247 1.386 20 0 CDADHL CCCCOC(=O)[C@@H](C)OCCCCP(=O)([O-])[O-] ZINC001225021839 941816541 /nfs/dbraw/zinc/81/65/41/941816541.db2.gz JKSGWFXMHUOSJI-SNVBAGLBSA-N -2 3 282.273 1.693 20 0 CDADHL CCOC(=O)C[C@@H](C)Oc1nc2ncnc-2c([S-])[n-]1 ZINC001226780586 942068118 /nfs/dbraw/zinc/06/81/18/942068118.db2.gz QARGZOBILQXHMT-ZCFIWIBFSA-N -2 3 282.325 1.362 20 0 CDADHL CC(=O)[C@@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1ccccc1 ZINC001233940715 943696142 /nfs/dbraw/zinc/69/61/42/943696142.db2.gz YQBQFOVSWFPURH-GFCCVEGCSA-N -2 3 284.275 1.355 20 0 CDADHL CC1(C)CC(Oc2[n-]c(=O)nc3cn[n-]c32)CC(C)(C)O1 ZINC001233939760 943696170 /nfs/dbraw/zinc/69/61/70/943696170.db2.gz OHPNRWUJGFLSDX-UHFFFAOYSA-N -2 3 292.339 1.761 20 0 CDADHL Cc1ccc(-c2cncc(-c3nnn[n-]3)c2)cc1C(=O)[O-] ZINC001243197682 947054171 /nfs/dbraw/zinc/05/41/71/947054171.db2.gz QVHBRTWQPLDQLX-UHFFFAOYSA-N -2 3 281.275 1.935 20 0 CDADHL Cc1ccc(-c2cncc(-c3nn[n-]n3)c2)cc1C(=O)[O-] ZINC001243197682 947054183 /nfs/dbraw/zinc/05/41/83/947054183.db2.gz QVHBRTWQPLDQLX-UHFFFAOYSA-N -2 3 281.275 1.935 20 0 CDADHL O=C(CSc1n[nH]c(=O)[n-]1)Nc1cccc([O-])c1F ZINC001362487445 971329380 /nfs/dbraw/zinc/32/93/80/971329380.db2.gz LOQAPTVEHCENFI-UHFFFAOYSA-N -2 3 284.272 1.086 20 0 CDADHL CC[C@H](OC(=O)c1cc(F)cc2n[n-]nc21)C(=O)[O-] ZINC001589580912 949014975 /nfs/dbraw/zinc/01/49/75/949014975.db2.gz YMJMWPFSVAYRNI-QMMMGPOBSA-N -2 3 267.216 1.117 20 0 CDADHL CCC(CC)(CNC(=O)c1ccc(O)cc1[O-])C(=O)[O-] ZINC000164981770 949420132 /nfs/dbraw/zinc/42/01/32/949420132.db2.gz PPRLSORFEOAFHV-UHFFFAOYSA-N -2 3 281.308 1.719 20 0 CDADHL O=C([O-])c1cnc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cn1 ZINC001595268422 949792367 /nfs/dbraw/zinc/79/23/67/949792367.db2.gz AECLWTUGWDCWST-UHFFFAOYSA-N -2 3 299.246 1.009 20 0 CDADHL CCc1ccc(C(=O)N(C)C[C@@H](C)C(=O)[O-])c([O-])c1 ZINC001593633430 953591699 /nfs/dbraw/zinc/59/16/99/953591699.db2.gz DFDDVFVFMSIIGP-SECBINFHSA-N -2 3 265.309 1.747 20 0 CDADHL O=C([O-])CCNC(=O)c1cc([O-])cc(Br)c1 ZINC000700682774 954869725 /nfs/dbraw/zinc/86/97/25/954869725.db2.gz CNTXLUAEBFYEOH-UHFFFAOYSA-N -2 3 288.097 1.359 20 0 CDADHL C[C@@H](SCc1cc(=O)[n-]c(C2CC2)n1)C(=O)[O-] ZINC001589168961 956450219 /nfs/dbraw/zinc/45/02/19/956450219.db2.gz FAFNTOXLABQNIF-ZCFIWIBFSA-N -2 3 254.311 1.766 20 0 CDADHL CC(C)c1ccc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)c([O-])c1 ZINC001573566529 959291234 /nfs/dbraw/zinc/29/12/34/959291234.db2.gz IUJXOWXFIWJFHY-HNNXBMFYSA-N -2 3 293.319 1.489 20 0 CDADHL CCC[C@@H](NC(=O)c1cc(Cl)ccc1[O-])c1nnn[n-]1 ZINC001433759955 960592328 /nfs/dbraw/zinc/59/23/28/960592328.db2.gz JAZATIRKSMYKEH-SECBINFHSA-N -2 3 295.730 1.830 20 0 CDADHL CCC[C@@H](NC(=O)c1cc(Cl)ccc1[O-])c1nn[n-]n1 ZINC001433759955 960592342 /nfs/dbraw/zinc/59/23/42/960592342.db2.gz JAZATIRKSMYKEH-SECBINFHSA-N -2 3 295.730 1.830 20 0 CDADHL C[C@H](CC(=O)[O-])C(=O)[N-]OCCOc1ccccc1 ZINC001592359744 977843238 /nfs/dbraw/zinc/84/32/38/977843238.db2.gz KXJVADZLKITAHX-SNVBAGLBSA-N -2 3 267.281 1.224 20 0 CDADHL C[C@@H](Cc1ccc(N=c2ncnc3[nH][n-]cc2-3)cc1)C(=O)[O-] ZINC001592883990 979764881 /nfs/dbraw/zinc/76/48/81/979764881.db2.gz WYUKEJNUKVYECD-VIFPVBQESA-N -2 3 297.318 1.733 20 0 CDADHL COCc1nsc([N-]C(=O)c2ccoc2CC(=O)[O-])n1 ZINC001599306839 997331890 /nfs/dbraw/zinc/33/18/90/997331890.db2.gz IVUCPURXXRIFDP-UHFFFAOYSA-N -2 3 297.292 1.157 20 0 CDADHL CCc1cccc(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)c1[O-] ZINC000095177970 539041934 /nfs/dbraw/zinc/04/19/34/539041934.db2.gz KYSFHDKJDPYBSD-SECBINFHSA-N -2 3 289.339 1.343 20 0 CDADHL CCc1cccc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c1[O-] ZINC000095177970 539041935 /nfs/dbraw/zinc/04/19/35/539041935.db2.gz KYSFHDKJDPYBSD-SECBINFHSA-N -2 3 289.339 1.343 20 0 CDADHL O=C(NCCCc1cc(=O)[nH][n-]1)c1cc(Cl)ccc1[O-] ZINC000614922727 348274582 /nfs/dbraw/zinc/27/45/82/348274582.db2.gz SNWJHKNJOCPWIC-UHFFFAOYSA-N -2 3 295.726 1.432 20 0 CDADHL CCc1cc(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)ccc1[O-] ZINC000291777301 198089162 /nfs/dbraw/zinc/08/91/62/198089162.db2.gz WXKHKNXPRPFUOH-SECBINFHSA-N -2 3 289.339 1.343 20 0 CDADHL Cc1nnc(-n2[n-]c3c(c2=O)CCCCCC3)[n-]c1=O ZINC000634586103 356465742 /nfs/dbraw/zinc/46/57/42/356465742.db2.gz BTTAYWXLKDUNGW-VIFPVBQESA-N -2 3 275.312 1.559 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@]23C[C@H]2CCCC3)c1 ZINC000634654730 356644570 /nfs/dbraw/zinc/64/45/70/356644570.db2.gz RTGJCSBTVKGYOS-BXKDBHETSA-N -2 3 285.321 1.589 20 0 CDADHL CCC[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000036838282 356886229 /nfs/dbraw/zinc/88/62/29/356886229.db2.gz URQJTMYDBJZXCJ-JTQLQIEISA-N -2 3 293.291 1.496 20 0 CDADHL CC1CCN(S(=O)(=O)[N-]c2cc(F)ccc2[O-])CC1 ZINC000085203587 357198262 /nfs/dbraw/zinc/19/82/62/357198262.db2.gz OBVYELLONKVYDW-UHFFFAOYSA-N -2 3 288.344 1.920 20 0 CDADHL COc1ccc(C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)c([O-])c1 ZINC000062868359 357583572 /nfs/dbraw/zinc/58/35/72/357583572.db2.gz VFRQBAWGXPXIEM-OAHLLOKOSA-N -2 3 293.319 1.728 20 0 CDADHL O=C([O-])[C@H]1C[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000634816464 358812977 /nfs/dbraw/zinc/81/29/77/358812977.db2.gz QWYCUONNYGYPQM-RQJHMYQMSA-N -2 3 255.657 1.705 20 0 CDADHL CCc1ccc([O-])c(C(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000263431385 359279803 /nfs/dbraw/zinc/27/98/03/359279803.db2.gz NMOMXAOLGLJLJG-NSHDSACASA-N -2 3 277.320 1.891 20 0 CDADHL O=C(N=c1ccc([O-])n[n-]1)[C@@H]1CCc2ccccc2C1 ZINC000515655688 360529388 /nfs/dbraw/zinc/52/93/88/360529388.db2.gz MRUYKOQRYDTFCQ-GFCCVEGCSA-N -2 3 269.304 1.348 20 0 CDADHL CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000011890064 360930024 /nfs/dbraw/zinc/93/00/24/360930024.db2.gz TWKCXJQIEAKQSB-MRVPVSSYSA-N -2 3 297.785 1.789 20 0 CDADHL O=C(N=c1cc2ccccn2[n-]1)c1c([O-])cccc1[O-] ZINC000519458497 361321529 /nfs/dbraw/zinc/32/15/29/361321529.db2.gz JNXHTHPALFSZJW-UHFFFAOYSA-N -3 3 269.260 1.420 20 0 CDADHL CCc1ccc(C(=O)N2Cc3nc(C)[n-]c(=O)c3C2)c([O-])c1 ZINC000636286525 363931225 /nfs/dbraw/zinc/93/12/25/363931225.db2.gz SPZYODLPNRECTB-UHFFFAOYSA-N -2 3 299.330 1.915 20 0 CDADHL CSc1nc([N-]C(=O)c2cc(C3CC3)no2)n[n-]1 ZINC000282425349 367877625 /nfs/dbraw/zinc/87/76/25/367877625.db2.gz MFNYACTVAAXASW-UHFFFAOYSA-N -2 3 265.298 1.644 20 0 CDADHL Cc1ccc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])O2)c([O-])c1 ZINC000275940284 193168647 /nfs/dbraw/zinc/16/86/47/193168647.db2.gz CEKPVRJIDRMOLV-QWRGUYRKSA-N -2 3 265.265 1.271 20 0 CDADHL COCCCO[N-]C(=O)N=c1nc(SC)[n-]s1 ZINC000288979300 369507276 /nfs/dbraw/zinc/50/72/76/369507276.db2.gz DLSLRBUJDJCWAA-UHFFFAOYSA-N -2 3 278.359 1.350 20 0 CDADHL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]CC(F)F ZINC000567798678 371149969 /nfs/dbraw/zinc/14/99/69/371149969.db2.gz TYYZINGFTBYTKU-UHFFFAOYSA-N -2 3 283.252 1.084 20 0 CDADHL CC(F)(F)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000357704106 372591007 /nfs/dbraw/zinc/59/10/07/372591007.db2.gz UDRSZMQUXWBUFC-UHFFFAOYSA-N -2 3 299.320 1.770 20 0 CDADHL O=C([O-])CC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000036968833 374575659 /nfs/dbraw/zinc/57/56/59/374575659.db2.gz VESLFRJDVDTTFT-UHFFFAOYSA-N -2 3 281.692 1.232 20 0 CDADHL C[C@@H]([N-]S(=O)(=O)c1cccs1)[C@H](C)C(=O)[O-] ZINC000164882523 292854088 /nfs/dbraw/zinc/85/40/88/292854088.db2.gz URJOMZOGIOXGKR-NKWVEPMBSA-N -2 3 263.340 1.136 20 0 CDADHL CC(=O)c1ccc(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1[O-] ZINC000647262008 390851783 /nfs/dbraw/zinc/85/17/83/390851783.db2.gz LJUJFOWAHHJOBL-WDEREUQCSA-N -2 3 291.303 1.578 20 0 CDADHL CC[C@@H](CS(=O)(=O)[N-]c1cc(C)ccc1[O-])OC ZINC000421162087 391825989 /nfs/dbraw/zinc/82/59/89/391825989.db2.gz YRDPLQVAOJVBTH-JTQLQIEISA-N -2 3 273.354 1.867 20 0 CDADHL Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@](C)(C(=O)[O-])C2)n1 ZINC000568074055 392356816 /nfs/dbraw/zinc/35/68/16/392356816.db2.gz VFRPAYOUDYOVOR-RNCFNFMXSA-N -2 3 265.313 1.348 20 0 CDADHL CC[C@H](C)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000092114693 147000052 /nfs/dbraw/zinc/00/00/52/147000052.db2.gz WQMJXRGZLNAVDT-QMMMGPOBSA-N -2 3 289.328 1.848 20 0 CDADHL Cc1csc(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-])c1 ZINC000263219553 165052848 /nfs/dbraw/zinc/05/28/48/165052848.db2.gz QKDBHNYTWGEYNN-SECBINFHSA-N -2 3 291.394 1.834 20 0 CDADHL O=C([O-])C1CCN(C(=O)c2ccc(O)cc2[O-])CC1 ZINC000022164880 171365017 /nfs/dbraw/zinc/36/50/17/171365017.db2.gz DNVNWGHRGQRTBY-UHFFFAOYSA-N -2 3 265.265 1.035 20 0 CDADHL CC[C@@H](C)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000656718520 413598243 /nfs/dbraw/zinc/59/82/43/413598243.db2.gz TXISGXBGQMXWFT-MRVPVSSYSA-N -2 3 275.326 1.692 20 0 CDADHL O=C([O-])[C@@H]1CCCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000652451916 424451877 /nfs/dbraw/zinc/45/18/77/424451877.db2.gz LCENLSJCVRGAGL-SNVBAGLBSA-N -2 3 277.324 1.356 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CC[C@H](C(=O)[O-])[C@H]2C)n1 ZINC000518782782 424581651 /nfs/dbraw/zinc/58/16/51/424581651.db2.gz MBWVBUCBQWUBEQ-SCZZXKLOSA-N -2 3 265.313 1.040 20 0 CDADHL CC[C@](C)([N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000086796974 279253103 /nfs/dbraw/zinc/25/31/03/279253103.db2.gz DFUKFIQAYHGTED-VIFPVBQESA-N -2 3 263.340 1.280 20 0 CDADHL C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000576224281 317099040 /nfs/dbraw/zinc/09/90/40/317099040.db2.gz IMDAUOITXJQQEA-SCZZXKLOSA-N -2 3 287.337 1.835 20 0 CDADHL Cc1cccc(C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1[O-] ZINC000579712193 324261930 /nfs/dbraw/zinc/26/19/30/324261930.db2.gz JXWYXCYJFUFZAU-SKDRFNHKSA-N -2 3 277.320 1.883 20 0 CDADHL C[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)C(=O)[O-] ZINC000737713363 574707594 /nfs/dbraw/zinc/70/75/94/574707594.db2.gz LVNZJYVLLONEIX-LURJTMIESA-N -2 3 250.210 1.300 20 0 CDADHL C[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)[O-] ZINC000737713363 574707596 /nfs/dbraw/zinc/70/75/96/574707596.db2.gz LVNZJYVLLONEIX-LURJTMIESA-N -2 3 250.210 1.300 20 0 CDADHL O=C([O-])CCCCC(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC001601982582 1175097413 /nfs/dbraw/zinc/09/74/13/1175097413.db2.gz ZRTSNQSZOQURFM-UHFFFAOYSA-N -2 3 294.307 1.748 20 0 CDADHL O=C([O-])CSCC(=O)Nc1ccc(Cl)cc1[O-] ZINC000821538152 597389272 /nfs/dbraw/zinc/38/92/72/597389272.db2.gz ZXXAGUDURSUYCY-UHFFFAOYSA-N -2 3 275.713 1.802 20 0 CDADHL C[C@H](C(=O)[O-])N(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000054052067 597467586 /nfs/dbraw/zinc/46/75/86/597467586.db2.gz HZGRTBQEJGSNRB-MRVPVSSYSA-N -2 3 274.276 1.073 20 0 CDADHL C/C(=C/COC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)[O-] ZINC000825769199 601414440 /nfs/dbraw/zinc/41/44/40/601414440.db2.gz KNWZPCQSNBRSCX-YWEYNIOJSA-N -2 3 276.248 1.857 20 0 CDADHL CN(CCCC(=O)[O-])C(=O)c1c([O-])cccc1O ZINC000232428740 601611135 /nfs/dbraw/zinc/61/11/35/601611135.db2.gz LIXKZPKZXVSSDV-UHFFFAOYSA-N -2 3 253.254 1.035 20 0 CDADHL CC(C)(CC(=O)[O-])CC(=O)Nc1ncccc1[O-] ZINC000833456558 605221048 /nfs/dbraw/zinc/22/10/48/605221048.db2.gz OULHWNZFACWYTG-UHFFFAOYSA-N -2 3 252.270 1.617 20 0 CDADHL CC(C)(CCC(=O)[O-])NC(=O)c1ccc(O)cc1[O-] ZINC000050194812 605754718 /nfs/dbraw/zinc/75/47/18/605754718.db2.gz FFKJDDXGLHVSAA-UHFFFAOYSA-N -2 3 267.281 1.471 20 0 CDADHL C[C@@H](CC(=O)[O-])n1cc(-c2ccc(=O)[n-]c2F)cn1 ZINC000901027849 623821019 /nfs/dbraw/zinc/82/10/19/623821019.db2.gz IEDSKJLNENAVRA-ZETCQYMHSA-N -2 3 265.244 1.826 20 0 CDADHL CC(C)N(CC(=O)[O-])C(=O)Cc1ccc([O-])c(F)c1 ZINC000908913030 628413245 /nfs/dbraw/zinc/41/32/45/628413245.db2.gz DCJXWIUMCPGCET-UHFFFAOYSA-N -2 3 269.272 1.395 20 0 CDADHL C[C@H](CC(=O)[O-])NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000909093443 628510157 /nfs/dbraw/zinc/51/01/57/628510157.db2.gz ASBLKROSNAAEDN-SECBINFHSA-N -2 3 283.299 1.833 20 0 CDADHL C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC001604633114 1163256030 /nfs/dbraw/zinc/25/60/30/1163256030.db2.gz HUFVRJKZGLAZJY-PSASIEDQSA-N -2 3 296.298 1.536 20 0 CDADHL Cc1ccc(N[C@H](CC(C)C)C(=O)[O-])nc1-c1nnn[n-]1 ZINC001605875245 1163703636 /nfs/dbraw/zinc/70/36/36/1163703636.db2.gz FPJNKAUAGXIMDP-SECBINFHSA-N -2 3 290.327 1.481 20 0 CDADHL O=C([N-]Oc1cccc(-c2nnn[n-]2)c1)[C@H]1CCCS1 ZINC001606863458 1164020357 /nfs/dbraw/zinc/02/03/57/1164020357.db2.gz AUZQNIGIENIUFF-SNVBAGLBSA-N -2 3 291.336 1.172 20 0 CDADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)[C@H]1CCCS1 ZINC001606863458 1164020364 /nfs/dbraw/zinc/02/03/64/1164020364.db2.gz AUZQNIGIENIUFF-SNVBAGLBSA-N -2 3 291.336 1.172 20 0 CDADHL CC(C)C[C@@H](CNc1ncccc1-c1nnn[n-]1)C(=O)[O-] ZINC001609093106 1164768759 /nfs/dbraw/zinc/76/87/59/1164768759.db2.gz PHZHRNQXXTYLJD-VIFPVBQESA-N -2 3 290.327 1.421 20 0 CDADHL CC(C)C[C@@H](CNc1ncccc1-c1nn[n-]n1)C(=O)[O-] ZINC001609093106 1164768764 /nfs/dbraw/zinc/76/87/64/1164768764.db2.gz PHZHRNQXXTYLJD-VIFPVBQESA-N -2 3 290.327 1.421 20 0 CDADHL CCC(CC)(CNc1ncccc1-c1nnn[n-]1)C(=O)[O-] ZINC001609188913 1164830586 /nfs/dbraw/zinc/83/05/86/1164830586.db2.gz LXXDQEWTDMFJRZ-UHFFFAOYSA-N -2 3 290.327 1.565 20 0 CDADHL CCC(CC)(CNc1ncccc1-c1nn[n-]n1)C(=O)[O-] ZINC001609188913 1164830593 /nfs/dbraw/zinc/83/05/93/1164830593.db2.gz LXXDQEWTDMFJRZ-UHFFFAOYSA-N -2 3 290.327 1.565 20 0 CDADHL C[C@H](CC(=O)[O-])Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000095241496 1166612560 /nfs/dbraw/zinc/61/25/60/1166612560.db2.gz AFKMQNQAKPXJJI-ZCFIWIBFSA-N -2 3 292.255 1.050 20 0 CDADHL CN(CC(=O)[O-])c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000095293982 1174522267 /nfs/dbraw/zinc/52/22/67/1174522267.db2.gz UBUNXHDZBJHCST-UHFFFAOYSA-N -2 3 267.676 1.041 20 0 CDADHL CC(C)c1ccc(C(=O)N[C@@](C)(CO)C(=O)[O-])c([O-])c1 ZINC001603997181 1175710591 /nfs/dbraw/zinc/71/05/91/1175710591.db2.gz UTBGVNGJZCFWTK-AWEZNQCLSA-N -2 3 281.308 1.081 20 0 CDADHL CC(C)c1ccc(C(=O)NC[C@@](C)(O)C(=O)[O-])c([O-])c1 ZINC001603997324 1175712138 /nfs/dbraw/zinc/71/21/38/1175712138.db2.gz XFLVFKUQIMAVDM-CQSZACIVSA-N -2 3 281.308 1.081 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])[C@@H]1C[C@@H]1c1ccccc1 ZINC001181462932 1164349331 /nfs/dbraw/zinc/34/93/31/1164349331.db2.gz PWFOYVVJZCQVDT-CHWSQXEVSA-N -2 3 297.291 1.864 20 0 CDADHL CN(CCC(=O)[O-])C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000037931859 737123780 /nfs/dbraw/zinc/12/37/80/737123780.db2.gz IAQQUDVOWSSVLC-UHFFFAOYSA-N -2 3 274.276 1.075 20 0 CDADHL C[C@@H](CNC(=O)c1nnc2ccccc2c1[O-])CC(=O)[O-] ZINC000777399008 737376720 /nfs/dbraw/zinc/37/67/20/737376720.db2.gz GRWXIOVUIJPVJL-MRVPVSSYSA-N -2 3 289.291 1.176 20 0 CDADHL O=C(c1cccc(F)c1[O-])N1CCC(c2nn[n-]n2)CC1 ZINC000828417023 736868085 /nfs/dbraw/zinc/86/80/85/736868085.db2.gz RIXIXMDTZHBGSC-UHFFFAOYSA-N -2 3 291.286 1.064 20 0 CDADHL O=C([O-])Cn1cc(Nc2cc(F)c([O-])cc2F)cn1 ZINC001176271195 914046399 /nfs/dbraw/zinc/04/63/99/914046399.db2.gz OKSOYUVFHRNFOS-UHFFFAOYSA-N -2 3 269.207 1.695 20 0 CDADHL Nc1[nH]c(=O)[n-]c(=O)c1Nc1ccc(C=CC(=O)[O-])cc1 ZINC001176592263 914170269 /nfs/dbraw/zinc/17/02/69/914170269.db2.gz XLWICEQXTMPIDT-ZZXKWVIFSA-N -2 3 288.263 1.311 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC3(CC3)C2)o1 ZINC000695625293 899645440 /nfs/dbraw/zinc/64/54/40/899645440.db2.gz DNGQDZWTAHUMQI-VIFPVBQESA-N -2 3 299.348 1.979 20 0 CDADHL COc1ccccc1[C@@H](C)OCCP(=O)([O-])[O-] ZINC001224603882 909921928 /nfs/dbraw/zinc/92/19/28/909921928.db2.gz CILDJHYJJYVHPF-SECBINFHSA-N -2 3 260.226 1.951 20 0 CDADHL C[C@@H]1C[C@@H]([N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-])CCO1 ZINC001180176890 916173947 /nfs/dbraw/zinc/17/39/47/916173947.db2.gz QMGNYOPXZNXJSZ-RITPCOANSA-N -2 3 287.209 1.025 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])NCC1CCCCC1 ZINC001186891026 920215258 /nfs/dbraw/zinc/21/52/58/920215258.db2.gz PTOPFLFJTJOHTD-UHFFFAOYSA-N -2 3 292.316 1.824 20 0 CDADHL O=S(=O)([N-][C@H]1[CH]CC=C1)c1ccc(Cl)cn1 ZINC001196273043 924865689 /nfs/dbraw/zinc/86/56/89/924865689.db2.gz PMFFTCGLPCCXEE-SECBINFHSA-N -2 3 257.722 1.546 20 0 CDADHL COc1ccc(NC(=O)NCCP(=O)([O-])[O-])c(C)c1 ZINC001202730444 930595838 /nfs/dbraw/zinc/59/58/38/930595838.db2.gz IFKZVJJTBVVKAW-UHFFFAOYSA-N -2 3 288.240 1.303 20 0 CDADHL COc1c(Nc2cc(=O)[n-]c(C)n2)cccc1C(=O)[O-] ZINC001211033997 940726504 /nfs/dbraw/zinc/72/65/04/940726504.db2.gz QTPWRAXZQUNCNW-UHFFFAOYSA-N -2 3 275.264 1.941 20 0 CDADHL COC(=O)[C@H](OCCP(=O)([O-])[O-])c1cccc(F)c1 ZINC001224605243 941774814 /nfs/dbraw/zinc/77/48/14/941774814.db2.gz GYWZGPQXKFSBRL-SNVBAGLBSA-N -2 3 292.199 1.234 20 0 CDADHL COc1ccccc1[C@H](C)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227566958 942189861 /nfs/dbraw/zinc/18/98/61/942189861.db2.gz LCEFFPXMZBCVMH-ZETCQYMHSA-N -2 3 263.253 1.431 20 0 CDADHL O=c1nc2cn[n-]c2c(O[C@@H]2CCC=CCCC2)[n-]1 ZINC001233938805 943694764 /nfs/dbraw/zinc/69/47/64/943694764.db2.gz FPXUXTNKTSSFEZ-SECBINFHSA-N -2 3 260.297 1.914 20 0 CDADHL C[C@@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1ccccc1F ZINC001233936208 943694773 /nfs/dbraw/zinc/69/47/73/943694773.db2.gz XQFYJCRNXAGCGA-SSDOTTSWSA-N -2 3 274.255 1.925 20 0 CDADHL O=C([O-])c1cc(C(=O)[O-])cc(-c2ncc3c(n2)CNCC3)c1 ZINC001242159812 946611284 /nfs/dbraw/zinc/61/12/84/946611284.db2.gz RTVMQYWIURYURQ-UHFFFAOYSA-N -2 3 299.286 1.186 20 0 CDADHL CCC(CC)(CNC(=O)c1cccc(O)c1[O-])C(=O)[O-] ZINC000126074413 949261962 /nfs/dbraw/zinc/26/19/62/949261962.db2.gz LDXPUNWYRVOERA-UHFFFAOYSA-N -2 3 281.308 1.719 20 0 CDADHL O=C([O-])c1ccccc1CNC(=O)c1cccc2n[n-]nc21 ZINC001595256497 949626006 /nfs/dbraw/zinc/62/60/06/949626006.db2.gz XJPJQBKNCQXMID-UHFFFAOYSA-N -2 3 296.286 1.586 20 0 CDADHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1ccsc1Cl ZINC001363155479 971931263 /nfs/dbraw/zinc/93/12/63/971931263.db2.gz YSVRLXYKGMXCJA-UHFFFAOYSA-N -2 3 285.712 1.533 20 0 CDADHL CCOc1cc(C)ccc1[N-]S(=O)(=O)CCC(=O)[O-] ZINC000037789694 957326890 /nfs/dbraw/zinc/32/68/90/957326890.db2.gz SMFYVWZAJAEBBJ-UHFFFAOYSA-N -2 3 287.337 1.610 20 0 CDADHL C=CC(=O)Nc1ccc([O-])c(C(=O)N(C)CCC(=O)[O-])c1 ZINC001588450512 958393527 /nfs/dbraw/zinc/39/35/27/958393527.db2.gz OFOUPIZUFXEVER-UHFFFAOYSA-N -2 3 292.291 1.063 20 0 CDADHL CO[N-]C(=O)C[N-]C(=O)C(F)(F)c1ccc(Cl)cc1 ZINC001333996685 958749436 /nfs/dbraw/zinc/74/94/36/958749436.db2.gz KRCUGGNQAFIAOZ-UHFFFAOYSA-N -2 3 292.669 1.226 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](CC(=O)[O-])C2)o1 ZINC001571030734 960494731 /nfs/dbraw/zinc/49/47/31/960494731.db2.gz TWXGDDFKMIQCJT-ZJUUUORDSA-N -2 3 287.337 1.510 20 0 CDADHL COCCN(CCC(=O)[O-])Cc1ccc([O-])c(F)c1F ZINC001574158591 962695476 /nfs/dbraw/zinc/69/54/76/962695476.db2.gz CDGNFOYGWZADCT-UHFFFAOYSA-N -2 3 289.278 1.594 20 0 CDADHL Cc1ccc([O-])c(NC(=O)c2ccc(C(=O)[O-])cn2)n1 ZINC001605296258 973106654 /nfs/dbraw/zinc/10/66/54/973106654.db2.gz BFLRUGCTGBXCQL-UHFFFAOYSA-N -2 3 273.248 1.441 20 0 CDADHL CCOC(=O)c1ncc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)[n-]1 ZINC001603818607 974298646 /nfs/dbraw/zinc/29/86/46/974298646.db2.gz JOTLEKMCNZSOOY-MRVPVSSYSA-N -2 3 297.311 1.272 20 0 CDADHL CCOC(=O)c1nc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)c[n-]1 ZINC001603818607 974298653 /nfs/dbraw/zinc/29/86/53/974298653.db2.gz JOTLEKMCNZSOOY-MRVPVSSYSA-N -2 3 297.311 1.272 20 0 CDADHL O=C([O-])C1=CC[C@H](NC(=O)c2c([O-])cccc2O)C1 ZINC000694987863 976766326 /nfs/dbraw/zinc/76/63/26/976766326.db2.gz XHQXPYBVGBLNNF-QMMMGPOBSA-N -2 3 263.249 1.001 20 0 CDADHL CC(=O)c1ccc(C(=O)NC2(CC(=O)[O-])CC2)cc1[O-] ZINC001589276447 985989126 /nfs/dbraw/zinc/98/91/26/985989126.db2.gz VPFTVQXSXVBVMO-UHFFFAOYSA-N -2 3 277.276 1.332 20 0 CDADHL CCc1ccc(C(=O)NC2(CC(=O)[O-])CC2)c([O-])c1 ZINC001597500769 988057097 /nfs/dbraw/zinc/05/70/97/988057097.db2.gz TUIVPTYMAPMLHL-UHFFFAOYSA-N -2 3 263.293 1.692 20 0 CDADHL CCc1cccc(C(=O)N2CC[C@](OC)(C(=O)[O-])C2)c1[O-] ZINC001597570495 988344536 /nfs/dbraw/zinc/34/45/36/988344536.db2.gz LVPCBRCKNIGJRM-OAHLLOKOSA-N -2 3 293.319 1.270 20 0 CDADHL CC(C)CCC[C@@H](NC(=O)c1cc(=O)[n-]cn1)C(=O)[O-] ZINC001573505821 1170677265 /nfs/dbraw/zinc/67/72/65/1170677265.db2.gz MTXOCTTUVMOYJY-SECBINFHSA-N -2 3 281.312 1.192 20 0 CDADHL CCCSC[C@H]([N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000616328753 341987554 /nfs/dbraw/zinc/98/75/54/341987554.db2.gz YWKRHRQDKOZTRZ-QMMMGPOBSA-N -2 3 293.366 1.154 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@H]2C=C[C@H](C(=O)[O-])C2)c(F)c1 ZINC000404997623 361853869 /nfs/dbraw/zinc/85/38/69/361853869.db2.gz HSSYQBMXEMWYQO-UWVGGRQHSA-N -2 3 299.323 1.442 20 0 CDADHL Cc1cccc([N-]S(=O)(=O)C[C@H]2CCCO2)c1[O-] ZINC000093655158 539035587 /nfs/dbraw/zinc/03/55/87/539035587.db2.gz WBGPWGIPHBGNOG-SNVBAGLBSA-N -2 3 271.338 1.621 20 0 CDADHL O=C([O-])[C@@H]1CCC[C@@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000634824239 359406936 /nfs/dbraw/zinc/40/69/36/359406936.db2.gz OLMCNNPHSLNHQX-DTWKUNHWSA-N -2 3 267.256 1.971 20 0 CDADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cnc(C)s1 ZINC000297257334 200127603 /nfs/dbraw/zinc/12/76/03/200127603.db2.gz RGKRVLPVJHBICW-QMMMGPOBSA-N -2 3 292.382 1.373 20 0 CDADHL COCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000081707329 360058776 /nfs/dbraw/zinc/05/87/76/360058776.db2.gz WHZAWUSSFGWDSW-SSDOTTSWSA-N -2 3 293.366 1.150 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]CC2(C3CC3)CC2)c1 ZINC000515350202 360480402 /nfs/dbraw/zinc/48/04/02/360480402.db2.gz FYNZUQNMKUAABF-UHFFFAOYSA-N -2 3 285.321 1.446 20 0 CDADHL O=C(N=c1ccc([O-])n[n-]1)[C@H]1CCc2ccccc2C1 ZINC000515655692 360529315 /nfs/dbraw/zinc/52/93/15/360529315.db2.gz MRUYKOQRYDTFCQ-LBPRGKRZSA-N -2 3 269.304 1.348 20 0 CDADHL O=C(c1c([O-])cccc1F)N1CCc2c(=O)[n-]cnc2C1 ZINC000436920379 361609398 /nfs/dbraw/zinc/60/93/98/361609398.db2.gz RHVSVHHAJUQUMP-UHFFFAOYSA-N -2 3 289.266 1.225 20 0 CDADHL Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc([O-])cc1F ZINC000436794555 361575360 /nfs/dbraw/zinc/57/53/60/361575360.db2.gz BWFOZXVDYMMQSZ-UHFFFAOYSA-N -2 3 279.227 1.293 20 0 CDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccccc1F)C1CCC1 ZINC000399172606 373706418 /nfs/dbraw/zinc/70/64/18/373706418.db2.gz OWMFKVZTSGDVCV-NSHDSACASA-N -2 3 287.312 1.357 20 0 CDADHL O=C([O-])[C@H](CCF)[N-]S(=O)(=O)c1ccccc1Cl ZINC000656162223 413064711 /nfs/dbraw/zinc/06/47/11/413064711.db2.gz OPZLVVQHXFKJEN-QMMMGPOBSA-N -2 3 295.719 1.431 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@@H](CCF)C(=O)[O-])c(F)c1 ZINC000656163471 413065498 /nfs/dbraw/zinc/06/54/98/413065498.db2.gz YZEJSRUPEZVJAR-VIFPVBQESA-N -2 3 293.291 1.225 20 0 CDADHL Cc1ccc(C(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)c([O-])c1 ZINC000262808323 149116087 /nfs/dbraw/zinc/11/60/87/149116087.db2.gz NTWMAVGGERBULJ-GXFFZTMASA-N -2 3 293.319 1.310 20 0 CDADHL Cc1ccc(C(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)c([O-])c1 ZINC000262808337 149116259 /nfs/dbraw/zinc/11/62/59/149116259.db2.gz NTWMAVGGERBULJ-MFKMUULPSA-N -2 3 293.319 1.310 20 0 CDADHL O=C(N=c1ccc([O-])n[n-]1)C1CCC(OC(F)F)CC1 ZINC000343773728 152298586 /nfs/dbraw/zinc/29/85/86/152298586.db2.gz UXTWZIJVKRLRFD-UHFFFAOYSA-N -2 3 287.266 1.341 20 0 CDADHL CCn1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cn1 ZINC000349102445 154051870 /nfs/dbraw/zinc/05/18/70/154051870.db2.gz AIYDXWAOHDXDNK-SNAWJCMRSA-N -2 3 288.307 1.505 20 0 CDADHL Cc1n[nH]c(C)c1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000349108158 154053659 /nfs/dbraw/zinc/05/36/59/154053659.db2.gz KVBGBSQUQKUMPV-SNAWJCMRSA-N -2 3 288.307 1.628 20 0 CDADHL COc1cccc(C(=O)N2CCC[C@@H]2C(=O)[O-])c1[O-] ZINC000019517982 170824113 /nfs/dbraw/zinc/82/41/13/170824113.db2.gz NLQBNPLVEINKGI-SECBINFHSA-N -2 3 265.265 1.090 20 0 CDADHL O=C([O-])c1csc(S(=O)(=O)[N-]CC2CC2)c1 ZINC000021012157 171287675 /nfs/dbraw/zinc/28/76/75/171287675.db2.gz SPAOTASNMYXEET-UHFFFAOYSA-N -2 3 261.324 1.135 20 0 CDADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](C)CC(=O)[O-])c1 ZINC000037463860 173225318 /nfs/dbraw/zinc/22/53/18/173225318.db2.gz ABVDESXPTHZBDU-QMMMGPOBSA-N -2 3 275.301 1.276 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)C2CC2)oc1C(=O)[O-] ZINC000663418459 414239560 /nfs/dbraw/zinc/23/95/60/414239560.db2.gz HKXQVWIDJVZEFJ-ZETCQYMHSA-N -2 3 273.310 1.363 20 0 CDADHL CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1)C(=O)[O-] ZINC000071494048 176191444 /nfs/dbraw/zinc/19/14/44/176191444.db2.gz HVSREUVWJOBNSO-SECBINFHSA-N -2 3 292.744 1.123 20 0 CDADHL CC/C=C\C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000395153912 270341212 /nfs/dbraw/zinc/34/12/12/270341212.db2.gz LWOGSEKLVZZEQC-ARJAWSKDSA-N -2 3 287.312 1.768 20 0 CDADHL C[C@]1(c2ccccc2)C[C@@H]1C(=O)N=c1ccc([O-])n[n-]1 ZINC000571143298 294375429 /nfs/dbraw/zinc/37/54/29/294375429.db2.gz VVLKINFTSXKOPY-IAQYHMDHSA-N -2 3 269.304 1.520 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]CC2CCCC2)cc1C(=O)[O-] ZINC000578130042 317475902 /nfs/dbraw/zinc/47/59/02/317475902.db2.gz OLEBUNJLIJRGKK-UHFFFAOYSA-N -2 3 287.337 1.755 20 0 CDADHL O=C(N[C@@H](c1nnn[n-]1)c1ccccc1)c1ccccc1[O-] ZINC000678960320 483234394 /nfs/dbraw/zinc/23/43/94/483234394.db2.gz KPEUHWSHFOMGHR-CYBMUJFWSA-N -2 3 295.302 1.425 20 0 CDADHL O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1ccccc1[O-] ZINC000678960320 483234396 /nfs/dbraw/zinc/23/43/96/483234396.db2.gz KPEUHWSHFOMGHR-CYBMUJFWSA-N -2 3 295.302 1.425 20 0 CDADHL CC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000184839192 524004537 /nfs/dbraw/zinc/00/45/37/524004537.db2.gz CGJSIRLIEZJIKN-LURJTMIESA-N -2 3 293.291 1.740 20 0 CDADHL Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H](CCF)C(=O)[O-] ZINC001600687565 1174563567 /nfs/dbraw/zinc/56/35/67/1174563567.db2.gz JGIMTZPTGYRBBE-MRVPVSSYSA-N -2 3 299.302 1.157 20 0 CDADHL Cc1nc(C(C)C)oc1C(=O)[N-]c1nc(C(=O)[O-])ns1 ZINC001600689891 1174564734 /nfs/dbraw/zinc/56/47/34/1174564734.db2.gz UZYXMQWSXCQFEG-UHFFFAOYSA-N -2 3 296.308 1.908 20 0 CDADHL Cc1noc(C)c1[C@H](C)CC(=O)[N-]OCCCC(=O)[O-] ZINC001600807679 1174621820 /nfs/dbraw/zinc/62/18/20/1174621820.db2.gz NPIUECRRLADQGW-MRVPVSSYSA-N -2 3 284.312 1.698 20 0 CDADHL N[C@@H](CCC(=O)[O-])c1nc(-c2ccc([O-])c(F)c2)no1 ZINC001601176593 1174773452 /nfs/dbraw/zinc/77/34/52/1174773452.db2.gz HGYDUVANROWHCA-QMMMGPOBSA-N -2 3 281.243 1.446 20 0 CDADHL CC(C)(C)C(=O)[N-]OCC(=O)Nc1ccccc1C(=O)[O-] ZINC000736241324 575597582 /nfs/dbraw/zinc/59/75/82/575597582.db2.gz LUKKOXBIPPIFMR-UHFFFAOYSA-N -2 3 294.307 1.417 20 0 CDADHL O=C([O-])[C@H](Cc1ccccc1)OC(=O)c1cncc([O-])c1 ZINC000738712939 576104370 /nfs/dbraw/zinc/10/43/70/576104370.db2.gz GRUYVHLUECDZPI-ZDUSSCGKSA-N -2 3 287.271 1.640 20 0 CDADHL O=C([O-])[C@@H](OC(=O)c1cncc([O-])c1)c1ccccc1F ZINC000833351667 600667120 /nfs/dbraw/zinc/66/71/20/600667120.db2.gz OVBUEMUAXNHHBM-LBPRGKRZSA-N -2 3 291.234 1.909 20 0 CDADHL CC(C)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000021810081 600989523 /nfs/dbraw/zinc/98/95/23/600989523.db2.gz XXJSYERBUURPNM-UHFFFAOYSA-N -2 3 293.291 1.597 20 0 CDADHL COc1ccc(C(=O)N2C[C@H](C(=O)[O-])[C@H](C)C2)c([O-])c1 ZINC000111251397 601691141 /nfs/dbraw/zinc/69/11/41/601691141.db2.gz ABQKCKBTYYHFSB-KCJUWKMLSA-N -2 3 279.292 1.194 20 0 CDADHL C[C@@]1(C(=O)[O-])CCN(C(=O)c2c([O-])cccc2O)C1 ZINC000232429249 604773718 /nfs/dbraw/zinc/77/37/18/604773718.db2.gz HOKRYFREFJDHJJ-CYBMUJFWSA-N -2 3 265.265 1.035 20 0 CDADHL CC(C)C[C@H](NC(=O)[O-])C(=O)Nc1ncccc1[O-] ZINC000833484946 605317989 /nfs/dbraw/zinc/31/79/89/605317989.db2.gz UITXJDLAPJZDGM-QMMMGPOBSA-N -2 3 267.285 1.408 20 0 CDADHL Cc1ccc(C(=O)N[C@H](C[C@@H]2CCCO2)C(=O)[O-])c([O-])c1 ZINC000910583366 618291252 /nfs/dbraw/zinc/29/12/52/618291252.db2.gz CKPSOOWDOJKICS-CMPLNLGQSA-N -2 3 293.319 1.453 20 0 CDADHL CC[C@@H](CNC(=O)c1cc(SC)ccc1[O-])C(=O)[O-] ZINC000902844312 625502461 /nfs/dbraw/zinc/50/24/61/625502461.db2.gz IGTLDCSUUGNYAO-QMMMGPOBSA-N -2 3 283.349 1.955 20 0 CDADHL C/C=C/C[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909048090 628490178 /nfs/dbraw/zinc/49/01/78/628490178.db2.gz LMHTVSYKBRDMMJ-KXMPLOMGSA-N -2 3 296.298 1.750 20 0 CDADHL O=C([O-])CCCCCNC(=O)Cc1ccc([O-])c(F)c1 ZINC000909095825 628511540 /nfs/dbraw/zinc/51/15/40/628511540.db2.gz YIYTVKRUXDACQO-UHFFFAOYSA-N -2 3 283.299 1.835 20 0 CDADHL C[C@@H]1CCN(C(=O)Cc2ccc([O-])c(F)c2)[C@@H](C(=O)[O-])C1 ZINC000909779717 628673074 /nfs/dbraw/zinc/67/30/74/628673074.db2.gz KUGAJSPYIJBDFJ-BXKDBHETSA-N -2 3 295.310 1.786 20 0 CDADHL Cc1nc2c(c(=O)[n-]1)CN(c1ncc(C(=O)[O-])s1)C2 ZINC000910387510 629047103 /nfs/dbraw/zinc/04/71/03/629047103.db2.gz WKVDYXDNFFTXDV-UHFFFAOYSA-N -2 3 278.293 1.166 20 0 CDADHL CCCN(C(=O)c1ccc(OC)cc1[O-])[C@@H](C)C(=O)[O-] ZINC000911700804 629448779 /nfs/dbraw/zinc/44/87/79/629448779.db2.gz JJLHUYWFBDRXQQ-VIFPVBQESA-N -2 3 281.308 1.726 20 0 CDADHL O=C([O-])c1ccccc1CCC(=O)[N-]OC1CCC1 ZINC000911812473 629545503 /nfs/dbraw/zinc/54/55/03/629545503.db2.gz IGMIIJFAXHLLOT-UHFFFAOYSA-N -2 3 263.293 1.918 20 0 CDADHL CCc1ccc(C(=O)N(CC)CC(=O)[O-])c([O-])c1 ZINC001605804804 1163676805 /nfs/dbraw/zinc/67/68/05/1163676805.db2.gz XYWZADOHGAMEDL-UHFFFAOYSA-N -2 3 251.282 1.501 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2CC(=O)[O-])o1 ZINC001607821569 1164306215 /nfs/dbraw/zinc/30/62/15/1164306215.db2.gz FPANYAOCVRVMNT-VHSXEESVSA-N -2 3 287.337 1.510 20 0 CDADHL O=C([O-])c1ccsc1[N-]C(=O)c1nnc(C2CC2)o1 ZINC001608528087 1164533020 /nfs/dbraw/zinc/53/30/20/1164533020.db2.gz JGFJWJANCAOOGA-UHFFFAOYSA-N -2 3 279.277 1.959 20 0 CDADHL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]C(CF)CF ZINC001608897437 1164679453 /nfs/dbraw/zinc/67/94/53/1164679453.db2.gz WNRXUUNJMZEOJJ-UHFFFAOYSA-N -2 3 297.254 1.110 20 0 CDADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C1(C2CC2)CC1 ZINC001610873539 1168021775 /nfs/dbraw/zinc/02/17/75/1168021775.db2.gz WTCKNWUWSHEBFN-UHFFFAOYSA-N -2 3 288.350 1.062 20 0 CDADHL Cc1c(NC(=O)Cc2ccc([O-])c(F)c2)[nH]nc1C(=O)[O-] ZINC001574118453 1170886929 /nfs/dbraw/zinc/88/69/29/1170886929.db2.gz GNJYTTMRKCJBRI-UHFFFAOYSA-N -2 3 293.254 1.442 20 0 CDADHL C[C@H](CN(C)c1cc(Cl)ccc1-c1nnn[n-]1)C(=O)[O-] ZINC001589845768 1173190613 /nfs/dbraw/zinc/19/06/13/1173190613.db2.gz ZDFHLHZFQSXVIA-SSDOTTSWSA-N -2 3 295.730 1.677 20 0 CDADHL C[C@H](CN(C)c1cc(Cl)ccc1-c1nn[n-]n1)C(=O)[O-] ZINC001589845768 1173190615 /nfs/dbraw/zinc/19/06/15/1173190615.db2.gz ZDFHLHZFQSXVIA-SSDOTTSWSA-N -2 3 295.730 1.677 20 0 CDADHL CCc1nnc([N-]C(=O)c2ccc(-c3nn[n-]n3)o2)s1 ZINC001590932092 1173547110 /nfs/dbraw/zinc/54/71/10/1173547110.db2.gz MOLXQPRFVKPTOP-UHFFFAOYSA-N -2 3 291.296 1.126 20 0 CDADHL Cc1ccc(-c2nnn[n-]2)nc1N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC001592112462 1173802134 /nfs/dbraw/zinc/80/21/34/1173802134.db2.gz LKEYVZUPLLWAFC-DTWKUNHWSA-N -2 3 288.311 1.235 20 0 CDADHL O=C([O-])C1(NC(=O)c2cc([O-])c3ccccc3c2)CC1 ZINC001601429312 1174867870 /nfs/dbraw/zinc/86/78/70/1174867870.db2.gz XZRWOIJUPWVQQO-UHFFFAOYSA-N -2 3 271.272 1.892 20 0 CDADHL O=C([O-])C[C@@H]1CCCN(Cc2cncc(C(=O)[O-])c2)C1 ZINC001608694745 1164608798 /nfs/dbraw/zinc/60/87/98/1164608798.db2.gz WWVIIIHONOZKNW-JTQLQIEISA-N -2 3 278.308 1.467 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)CCC[C@H](O)c1ccccc1 ZINC001608715848 1164618013 /nfs/dbraw/zinc/61/80/13/1164618013.db2.gz IYDHPDVFCCLZKS-ZDUSSCGKSA-N -2 3 295.335 1.803 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]Cc1ccc(O)cc1 ZINC001608956505 1164695508 /nfs/dbraw/zinc/69/55/08/1164695508.db2.gz WGIIYKVPIJCZKY-UHFFFAOYSA-N -2 3 297.288 1.162 20 0 CDADHL O=C([O-])[C@H](F)C[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000837292745 740788828 /nfs/dbraw/zinc/78/88/28/740788828.db2.gz CEKLGBGMMFHRNW-SECBINFHSA-N -2 3 295.719 1.182 20 0 CDADHL Cc1cc(Cl)ccc1S(=O)(=O)[N-][N-]C(=O)C(C)C ZINC000048653504 742056704 /nfs/dbraw/zinc/05/67/04/742056704.db2.gz HCXBOISPVNFOLO-UHFFFAOYSA-N -2 3 290.772 1.614 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CCC1CC1 ZINC000871993406 742341686 /nfs/dbraw/zinc/34/16/86/742341686.db2.gz JPFXJZWFXWTHTE-UHFFFAOYSA-N -2 3 259.283 1.056 20 0 CDADHL CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1ccccc1[O-] ZINC001609701602 1165047682 /nfs/dbraw/zinc/04/76/82/1165047682.db2.gz XHGKFZMOXHYJKG-NSHDSACASA-N -2 3 265.309 1.964 20 0 CDADHL CCCCC[C@@H]([N-]S(=O)(=O)c1ccc(C)o1)C(=O)[O-] ZINC000829932556 739810493 /nfs/dbraw/zinc/81/04/93/739810493.db2.gz KOZHXTJGQWKEPB-SNVBAGLBSA-N -2 3 289.353 1.900 20 0 CDADHL O=C([O-])C[C@H]1CN(C(=O)c2cc([O-])ccc2Cl)CCO1 ZINC000236430021 742040243 /nfs/dbraw/zinc/04/02/43/742040243.db2.gz KIKYGVWMIFUAMJ-VIFPVBQESA-N -2 3 299.710 1.361 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])C1Cc2ccccc2C1 ZINC001178545323 915497487 /nfs/dbraw/zinc/49/74/87/915497487.db2.gz JEURSIIJHJJYTR-UHFFFAOYSA-N -2 3 297.291 1.476 20 0 CDADHL CSc1ncc(C(=O)Nc2ncccc2[O-])c(=O)[n-]1 ZINC001191420937 922554326 /nfs/dbraw/zinc/55/43/26/922554326.db2.gz WDPOOYHTADOAOS-UHFFFAOYSA-N -2 3 278.293 1.257 20 0 CDADHL COc1cccc(NC(=S)NCCP(=O)([O-])[O-])c1 ZINC001196065756 924795112 /nfs/dbraw/zinc/79/51/12/924795112.db2.gz HJGXBJGZHOHBLH-UHFFFAOYSA-N -2 3 290.281 1.159 20 0 CDADHL [S-]c1cc([S-])cc(NC[C@@H]2COCCN2)c1 ZINC001170043064 929127046 /nfs/dbraw/zinc/12/70/46/929127046.db2.gz DWZWVMLKENGPSB-SECBINFHSA-N -2 3 256.396 1.664 20 0 CDADHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1ccoc1C1CC1 ZINC001413345353 935993705 /nfs/dbraw/zinc/99/37/05/935993705.db2.gz QOTSGBUWFORNFX-UHFFFAOYSA-N -2 3 275.264 1.288 20 0 CDADHL O=C([O-])c1cc(Nc2ncc(F)cc2[O-])cnc1F ZINC001215105036 940857206 /nfs/dbraw/zinc/85/72/06/940857206.db2.gz HPBVMEPNEFUROP-UHFFFAOYSA-N -2 3 267.191 1.902 20 0 CDADHL Cc1cc([N-]S(=O)(=O)c2cncc(N)c2)cc([O-])c1F ZINC001216078254 940920220 /nfs/dbraw/zinc/92/02/20/940920220.db2.gz DAULLUNPSSPYMW-UHFFFAOYSA-N -2 3 297.311 1.618 20 0 CDADHL O=C1CC[C@@H](OCCP(=O)([O-])[O-])c2ccccc21 ZINC001224603630 941774045 /nfs/dbraw/zinc/77/40/45/941774045.db2.gz ATCKHPDGEZEXJR-GFCCVEGCSA-N -2 3 270.221 1.899 20 0 CDADHL O=P([O-])([O-])CCOC[C@H]1CC[C@]2(CCCCO2)O1 ZINC001224601462 941774380 /nfs/dbraw/zinc/77/43/80/941774380.db2.gz HKAPARCZJXMXMU-MNOVXSKESA-N -2 3 280.257 1.257 20 0 CDADHL CO[C@H]1CCCC[C@@H]1OCCCCP(=O)([O-])[O-] ZINC001225018745 941814800 /nfs/dbraw/zinc/81/48/00/941814800.db2.gz HBDPCWQRYGVIEF-QWRGUYRKSA-N -2 3 266.274 1.919 20 0 CDADHL C[C@H](CCc1ccccc1)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227569138 942190915 /nfs/dbraw/zinc/19/09/15/942190915.db2.gz TZRYTNBNLFZXTD-SECBINFHSA-N -2 3 261.281 1.683 20 0 CDADHL CC[C@](C)(C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)OC ZINC000322608634 970909534 /nfs/dbraw/zinc/90/95/34/970909534.db2.gz KEKKBXQSWSZURA-LLVKDONJSA-N -2 3 291.325 1.071 20 0 CDADHL CCC1CCC(Oc2[n-]c(=O)nc3cn[n-]c32)CC1 ZINC001233940769 943696155 /nfs/dbraw/zinc/69/61/55/943696155.db2.gz ZIOXPBMITHFAFP-UHFFFAOYSA-N -2 3 262.313 1.994 20 0 CDADHL O=C([O-])c1cc(-c2ccc(=S)[n-]n2)cnc1F ZINC001244753904 947454221 /nfs/dbraw/zinc/45/42/21/947454221.db2.gz ZLHCUMRUBZBMFP-UHFFFAOYSA-N -2 3 251.242 1.665 20 0 CDADHL Cc1cc(=O)[n-]c(CNC(=O)c2cc(F)cc(F)c2[O-])n1 ZINC001362644283 971487882 /nfs/dbraw/zinc/48/78/82/971487882.db2.gz XYHXSYAKJOYDLQ-UHFFFAOYSA-N -2 3 295.245 1.404 20 0 CDADHL CC[C@@H](OC(=O)c1cc(OC)c([O-])c(OC)c1)C(=O)[O-] ZINC001589577094 948968075 /nfs/dbraw/zinc/96/80/75/948968075.db2.gz GOFXZNZETIKHQK-MRVPVSSYSA-N -2 3 284.264 1.429 20 0 CDADHL O=C([O-])[C@H](OC(=O)c1cc(F)cc2n[n-]nc21)C1CC1 ZINC001595273293 949864481 /nfs/dbraw/zinc/86/44/81/949864481.db2.gz LKRPOXBVGVJFGV-SNVBAGLBSA-N -2 3 279.227 1.117 20 0 CDADHL O=S(=O)([N-]c1ccc(F)c([O-])c1)C(F)(F)F ZINC001252353068 951205740 /nfs/dbraw/zinc/20/57/40/951205740.db2.gz LNMDRRBTVVWKJY-UHFFFAOYSA-N -2 3 259.180 1.793 20 0 CDADHL CCOc1nnc(NC(=O)C=Cc2ccc(C(=O)[O-])o2)[n-]1 ZINC001593060889 951397219 /nfs/dbraw/zinc/39/72/19/951397219.db2.gz PIWLDLXBNYKONQ-GQCTYLIASA-N -2 3 292.251 1.147 20 0 CDADHL CCOc1nc(NC(=O)C=Cc2ccc(C(=O)[O-])o2)n[n-]1 ZINC001593060889 951397233 /nfs/dbraw/zinc/39/72/33/951397233.db2.gz PIWLDLXBNYKONQ-GQCTYLIASA-N -2 3 292.251 1.147 20 0 CDADHL CCOc1n[n-]c(NC(=O)C=Cc2ccc(C(=O)[O-])o2)n1 ZINC001593060889 951397249 /nfs/dbraw/zinc/39/72/49/951397249.db2.gz PIWLDLXBNYKONQ-GQCTYLIASA-N -2 3 292.251 1.147 20 0 CDADHL Cc1cc(=O)[n-]c(CNC(=O)c2cccc(C(=O)[O-])c2)n1 ZINC001574306127 960738701 /nfs/dbraw/zinc/73/87/01/960738701.db2.gz FRZPNMOBVYGQCS-UHFFFAOYSA-N -2 3 287.275 1.119 20 0 CDADHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1c(F)cc(F)cc1F ZINC001454188270 968442635 /nfs/dbraw/zinc/44/26/35/968442635.db2.gz GSUKVCBAWXNFKY-UHFFFAOYSA-N -2 3 299.208 1.235 20 0 CDADHL O=C(Nc1cccc([O-])c1F)c1c[n-]n2c1nccc2=O ZINC001466117683 969924723 /nfs/dbraw/zinc/92/47/23/969924723.db2.gz VNZYNHSRJKHDRP-UHFFFAOYSA-N -2 3 288.238 1.120 20 0 CDADHL Cc1ccc(F)c(C(=O)[N-]c2ncn(CC(=O)[O-])n2)c1F ZINC001605282253 973078686 /nfs/dbraw/zinc/07/86/86/973078686.db2.gz VTOIOLCDNRSCNG-UHFFFAOYSA-N -2 3 296.233 1.202 20 0 CDADHL CCCC[C@@H](NC(=O)c1cc2c(cc1[O-])OCO2)C(=O)[O-] ZINC001595636596 981919601 /nfs/dbraw/zinc/91/96/01/981919601.db2.gz DWHQGQDQVQYYAR-SECBINFHSA-N -2 3 295.291 1.494 20 0 CDADHL O=C([O-])c1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)[nH]1 ZINC001574965357 983291287 /nfs/dbraw/zinc/29/12/87/983291287.db2.gz PHYVZXZPDYLZMH-UHFFFAOYSA-N -2 3 287.235 1.343 20 0 CDADHL CC(C)(CCC(=O)[O-])NC(=O)c1cccc2n[n-]nc21 ZINC001588764310 984121451 /nfs/dbraw/zinc/12/14/51/984121451.db2.gz AHQVFNMGVSZKPK-UHFFFAOYSA-N -2 3 276.296 1.331 20 0 CDADHL CCc1ccc(C(=O)N[C@@](C)(COC)CC(=O)[O-])c([O-])c1 ZINC001597500027 988051656 /nfs/dbraw/zinc/05/16/56/988051656.db2.gz CFSBBFILVMJGQV-OAHLLOKOSA-N -2 3 295.335 1.564 20 0 CDADHL CCc1cccc(C(=O)N2CCC[C@@H](O)[C@H]2C(=O)[O-])c1[O-] ZINC001597570673 988349728 /nfs/dbraw/zinc/34/97/28/988349728.db2.gz XNLUSCHFAPBKLW-NEPJUHHUSA-N -2 3 293.319 1.005 20 0 CDADHL COc1cnc([C@@H]2CCCN2C/C(C)=C/C(=O)[O-])[n-]c1=O ZINC001599725018 991605318 /nfs/dbraw/zinc/60/53/18/991605318.db2.gz RGPOKFBACHPLPK-ZKXNXJMVSA-N -2 3 293.323 1.359 20 0 CDADHL CCC[C@@](C)([N-]S(=O)(=O)c1cnc(C)s1)C(=O)[O-] ZINC000233317274 342037823 /nfs/dbraw/zinc/03/78/23/342037823.db2.gz RJBZBXGRISPLTG-SNVBAGLBSA-N -2 3 292.382 1.373 20 0 CDADHL O=C(c1cc(F)ccc1[O-])N1CCC[C@H](c2nnn[n-]2)C1 ZINC000537122790 282351077 /nfs/dbraw/zinc/35/10/77/282351077.db2.gz OQWFYQJVSLHSLG-QMMMGPOBSA-N -2 3 291.286 1.064 20 0 CDADHL O=C(c1cc(F)ccc1[O-])N1CCC[C@H](c2nn[n-]n2)C1 ZINC000537122790 282351078 /nfs/dbraw/zinc/35/10/78/282351078.db2.gz OQWFYQJVSLHSLG-QMMMGPOBSA-N -2 3 291.286 1.064 20 0 CDADHL CCOC(=O)c1ncc(NC(=O)c2cccc(C)c2[O-])[n-]1 ZINC000618920656 348589291 /nfs/dbraw/zinc/58/92/91/348589291.db2.gz YVBSLNKIRFISCB-UHFFFAOYSA-N -2 3 289.291 1.853 20 0 CDADHL CC(=O)c1[n-]c(=N[C@@H]2CC[C@H](C(=O)[O-])C2)sc1C ZINC000569977172 363260552 /nfs/dbraw/zinc/26/05/52/363260552.db2.gz ICXJZEWCQIFPPM-DTWKUNHWSA-N -2 3 268.338 1.741 20 0 CDADHL CCC[C@](C)(NC(=O)c1ccc2n[n-]nc2c1)C(=O)[O-] ZINC000036339118 356242111 /nfs/dbraw/zinc/24/21/11/356242111.db2.gz VMDBUYJXCBFQNF-ZDUSSCGKSA-N -2 3 276.296 1.331 20 0 CDADHL C[C@@H]1CCc2[n-]n(-c3cn[n-]c(=O)c3Cl)c(=O)c2C1 ZINC000634587777 356468144 /nfs/dbraw/zinc/46/81/44/356468144.db2.gz ZBFWUGRHHYLOJN-RQJHMYQMSA-N -2 3 280.715 1.974 20 0 CDADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000087492430 358344573 /nfs/dbraw/zinc/34/45/73/358344573.db2.gz WHSBDZGKNGCNKC-SECBINFHSA-N -2 3 289.328 1.461 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])o1 ZINC000263554147 359300364 /nfs/dbraw/zinc/30/03/64/359300364.db2.gz NBHUHXPFMQTZDI-VIFPVBQESA-N -2 3 275.326 1.366 20 0 CDADHL COC(=O)c1ccc([O-])c([N-]C(=O)c2cc(OC)no2)c1 ZINC000436504116 361524432 /nfs/dbraw/zinc/52/44/32/361524432.db2.gz IUDROTQNRIYJIT-UHFFFAOYSA-N -2 3 292.247 1.428 20 0 CDADHL COCCOCCS(=O)(=O)[N-]c1c(C)cccc1[O-] ZINC000271934335 365014819 /nfs/dbraw/zinc/01/48/19/365014819.db2.gz JOGCXVNTMAJHKM-UHFFFAOYSA-N -2 3 289.353 1.105 20 0 CDADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(Cl)nc2)CCC1 ZINC000282811049 368047452 /nfs/dbraw/zinc/04/74/52/368047452.db2.gz KXIJKXUYPHDJPB-UHFFFAOYSA-N -2 3 290.728 1.021 20 0 CDADHL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)[C@H]2CCOC2)c1 ZINC000547873914 369675404 /nfs/dbraw/zinc/67/54/04/369675404.db2.gz FJSORIWDJKISJW-JTQLQIEISA-N -2 3 299.348 1.532 20 0 CDADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H]1CC=CCC1 ZINC000566177368 370635724 /nfs/dbraw/zinc/63/57/24/370635724.db2.gz QMMRHBXPGGOBGN-SSDOTTSWSA-N -2 3 288.350 1.228 20 0 CDADHL CC[C@@H](Sc1nc2c(cnn2C)c(=O)[n-]1)C(=O)[O-] ZINC000581610676 373128048 /nfs/dbraw/zinc/12/80/48/373128048.db2.gz ZFBMHEVOXPWAGI-ZCFIWIBFSA-N -2 3 268.298 1.024 20 0 CDADHL Cc1ncc(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])s1 ZINC000336790198 374676373 /nfs/dbraw/zinc/67/63/73/374676373.db2.gz VYEPSSJHHQIAOC-UHFFFAOYSA-N -2 3 292.382 1.231 20 0 CDADHL Cc1ccc(-c2cc(C(=O)N=c3nc(C)n(C)[n-]3)n[n-]2)o1 ZINC000344595260 376636096 /nfs/dbraw/zinc/63/60/96/376636096.db2.gz UDPRWSFPIRIVCD-UHFFFAOYSA-N -2 3 286.295 1.089 20 0 CDADHL Cc1ccc(-c2cc(C(=O)N=c3nc(C)n(C)[n-]3)[n-]n2)o1 ZINC000344595260 376636099 /nfs/dbraw/zinc/63/60/99/376636099.db2.gz UDPRWSFPIRIVCD-UHFFFAOYSA-N -2 3 286.295 1.089 20 0 CDADHL O=C(N=c1[n-]nc(C=Cc2ccco2)s1)c1nnc[n-]1 ZINC000345093608 377833529 /nfs/dbraw/zinc/83/35/29/377833529.db2.gz TYXYKQGHTGBWDL-ARJAWSKDSA-N -2 3 288.292 1.094 20 0 CDADHL O=C(N=c1[n-]nc(C=Cc2ccco2)s1)c1nc[n-]n1 ZINC000345093608 377833538 /nfs/dbraw/zinc/83/35/38/377833538.db2.gz TYXYKQGHTGBWDL-ARJAWSKDSA-N -2 3 288.292 1.094 20 0 CDADHL C[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)CC(F)F ZINC000646057511 391955874 /nfs/dbraw/zinc/95/58/74/391955874.db2.gz CTEPTZFLKAVYKT-ZCFIWIBFSA-N -2 3 297.279 1.547 20 0 CDADHL Cc1[n-][nH]c(=O)c1NC(=O)c1cc(F)ccc1[O-] ZINC000646409767 392418810 /nfs/dbraw/zinc/41/88/10/392418810.db2.gz XIPUPRYAYRAYFO-UHFFFAOYSA-N -2 3 251.217 1.521 20 0 CDADHL CCC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)CC1 ZINC000645967265 393439034 /nfs/dbraw/zinc/43/90/34/393439034.db2.gz MBMMRYKNTFCQIZ-UHFFFAOYSA-N -2 3 287.337 1.755 20 0 CDADHL Cc1ncoc1C(=O)[N-]c1n[n-]c(C(F)(F)F)n1 ZINC000354000923 156216943 /nfs/dbraw/zinc/21/69/43/156216943.db2.gz KJAZFOYLQXQJRJ-UHFFFAOYSA-N -2 3 261.163 1.372 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C2CCC2)o1 ZINC000663254958 414087415 /nfs/dbraw/zinc/08/74/15/414087415.db2.gz NRLRROAURSTFKK-SNVBAGLBSA-N -2 3 287.337 1.367 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]C[C@H]2C[C@@H]2C)oc1C(=O)[O-] ZINC000663419782 414243223 /nfs/dbraw/zinc/24/32/23/414243223.db2.gz UQOLKVQYAMBIPO-POYBYMJQSA-N -2 3 273.310 1.221 20 0 CDADHL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)Cc1ccon1 ZINC000519051345 265304516 /nfs/dbraw/zinc/30/45/16/265304516.db2.gz KIJNKBYDPBNMIB-UHFFFAOYSA-N -2 3 296.304 1.623 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CCC[C@@H](CCC(=O)[O-])C2)n1 ZINC000652495546 424492975 /nfs/dbraw/zinc/49/29/75/424492975.db2.gz ZYBPMLIXRSSNTD-NSHDSACASA-N -2 3 293.367 1.821 20 0 CDADHL C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000650425923 424604603 /nfs/dbraw/zinc/60/46/03/424604603.db2.gz WFASMHNKJNYBRG-MRVPVSSYSA-N -2 3 287.312 1.357 20 0 CDADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]CC1CC=CC1 ZINC000530153417 271117514 /nfs/dbraw/zinc/11/75/14/271117514.db2.gz UUOWCYVOGWUBEO-UHFFFAOYSA-N -2 3 288.350 1.086 20 0 CDADHL CS[C@@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000567896283 293900702 /nfs/dbraw/zinc/90/07/02/293900702.db2.gz WHPFKAQUAMQOKX-LURJTMIESA-N -2 3 279.339 1.008 20 0 CDADHL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)[C@@H]1CCOC1 ZINC000274886297 301957803 /nfs/dbraw/zinc/95/78/03/301957803.db2.gz DYOXBSSLJDEKTK-SECBINFHSA-N -2 3 285.321 1.224 20 0 CDADHL CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000577107032 317267071 /nfs/dbraw/zinc/26/70/71/317267071.db2.gz ZYLAMEQGYKULAS-HTQZYQBOSA-N -2 3 275.326 1.691 20 0 CDADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CC1CC1 ZINC000580190271 324394736 /nfs/dbraw/zinc/39/47/36/324394736.db2.gz KBQGSKCUBSPJFY-UHFFFAOYSA-N -2 3 291.350 1.143 20 0 CDADHL Cc1nsc(NCCCCCC(=O)[O-])c1-c1nnn[n-]1 ZINC001592489607 1173902996 /nfs/dbraw/zinc/90/29/96/1173902996.db2.gz AZLIFMIDYJKEAV-UHFFFAOYSA-N -2 3 296.356 1.689 20 0 CDADHL CC(F)(F)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000666250147 483123021 /nfs/dbraw/zinc/12/30/21/483123021.db2.gz KQGTWEFOCKZMIC-UHFFFAOYSA-N -2 3 297.254 1.457 20 0 CDADHL CC(C)(NC(=O)c1cc([O-])ccc1Cl)c1nnn[n-]1 ZINC000340741084 519314238 /nfs/dbraw/zinc/31/42/38/519314238.db2.gz OCVGSMXSIDSYOD-UHFFFAOYSA-N -2 3 281.703 1.224 20 0 CDADHL CC(C)(NC(=O)c1cc([O-])ccc1Cl)c1nn[n-]n1 ZINC000340741084 519314244 /nfs/dbraw/zinc/31/42/44/519314244.db2.gz OCVGSMXSIDSYOD-UHFFFAOYSA-N -2 3 281.703 1.224 20 0 CDADHL CN(CC(=O)[O-])C(=O)c1cc2c(cc1[O-])CCCC2 ZINC000737982354 574434857 /nfs/dbraw/zinc/43/48/57/574434857.db2.gz FRFXZTQLLOGFIM-UHFFFAOYSA-N -2 3 263.293 1.428 20 0 CDADHL Cc1nc(C)c(CC(=O)OCCCCC(=O)[O-])c(=O)[n-]1 ZINC000738348003 574511294 /nfs/dbraw/zinc/51/12/94/574511294.db2.gz GNSIMUORBWWDPE-UHFFFAOYSA-N -2 3 282.296 1.140 20 0 CDADHL Cc1cccc(C(=O)NCCSCCC(=O)[O-])c1[O-] ZINC000738692664 575057531 /nfs/dbraw/zinc/05/75/31/575057531.db2.gz QEWFFXFXKWOBMH-UHFFFAOYSA-N -2 3 283.349 1.638 20 0 CDADHL COc1cc(C)sc1C(=O)[N-]c1n[nH]c(CC(=O)[O-])n1 ZINC000737871221 575084405 /nfs/dbraw/zinc/08/44/05/575084405.db2.gz IZBXHXVLVDMOJY-UHFFFAOYSA-N -2 3 296.308 1.063 20 0 CDADHL O=C([O-])COc1cccc(C=Cc2nccc(=O)[n-]2)c1 ZINC000764437328 575907033 /nfs/dbraw/zinc/90/70/33/575907033.db2.gz YRXROQUAMJYNNG-PLNGDYQASA-N -2 3 272.260 1.816 20 0 CDADHL Cc1[n-]ncc1S(=O)(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000738171386 576046182 /nfs/dbraw/zinc/04/61/82/576046182.db2.gz SXPIFLLSCULNNO-UHFFFAOYSA-N -2 3 297.292 1.576 20 0 CDADHL O=C([O-])c1occc1COC(=O)c1cncc([O-])c1 ZINC000740297598 576458777 /nfs/dbraw/zinc/45/87/77/576458777.db2.gz SYHKYTASWNSZPO-UHFFFAOYSA-N -2 3 263.205 1.435 20 0 CDADHL Nc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)c([O-])c1 ZINC000763018813 576700725 /nfs/dbraw/zinc/70/07/25/576700725.db2.gz GDAVSOHBRBJFND-UHFFFAOYSA-N -2 3 272.260 1.925 20 0 CDADHL O=C([O-])[C@]1(F)CCN(C(=O)c2ccccc2[O-])C1 ZINC000833357205 601759536 /nfs/dbraw/zinc/75/95/36/601759536.db2.gz ROEFFVFSPQEYNN-LBPRGKRZSA-N -2 3 253.229 1.031 20 0 CDADHL CC1(C)CC[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000131038577 604553982 /nfs/dbraw/zinc/55/39/82/604553982.db2.gz CEZQYMOQALOPPS-QMMMGPOBSA-N -2 3 287.337 1.835 20 0 CDADHL C[C@H](C(=O)[O-])N(C)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000908989394 628459016 /nfs/dbraw/zinc/45/90/16/628459016.db2.gz WUQNIYNMBCZCFU-SECBINFHSA-N -2 3 283.299 1.786 20 0 CDADHL C[C@](CCF)(NC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909974133 628788793 /nfs/dbraw/zinc/78/87/93/628788793.db2.gz OLSRHFUTIPXXBK-CYBMUJFWSA-N -2 3 287.262 1.393 20 0 CDADHL CCCO[N-]C(=O)CCc1ccccc1C(=O)[O-] ZINC000911809215 629541170 /nfs/dbraw/zinc/54/11/70/629541170.db2.gz LMBMGCUQOJEYNW-UHFFFAOYSA-N -2 3 251.282 1.775 20 0 CDADHL CCc1nc(C(=O)[N-]c2nc(C(=O)[O-])ns2)c(C)o1 ZINC001605845780 1163687379 /nfs/dbraw/zinc/68/73/79/1163687379.db2.gz IINLNXBPLVMVNG-UHFFFAOYSA-N -2 3 282.281 1.347 20 0 CDADHL COc1cccc(CN(CCC(=O)[O-])CC(=O)[O-])c1F ZINC001607321350 1164147055 /nfs/dbraw/zinc/14/70/55/1164147055.db2.gz BNKAYAYAHUCJSC-UHFFFAOYSA-N -2 3 285.271 1.196 20 0 CDADHL O=C([O-])c1ccc(CN2CCC[C@H](C(=O)[O-])C2)[nH]1 ZINC001608882138 1164672226 /nfs/dbraw/zinc/67/22/26/1164672226.db2.gz IOKHBVINHQMNQC-QMMMGPOBSA-N -2 3 252.270 1.010 20 0 CDADHL O=C([O-])C1CCC(Nc2cccc(-c3nnn[n-]3)n2)CC1 ZINC000095147316 1166596128 /nfs/dbraw/zinc/59/61/28/1166596128.db2.gz PLZSVZXFVGSGCW-UHFFFAOYSA-N -2 3 288.311 1.317 20 0 CDADHL CC[C@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)[O-] ZINC000095258611 1166612828 /nfs/dbraw/zinc/61/28/28/1166612828.db2.gz WWILIJLISBUPLH-VIFPVBQESA-N -2 3 281.703 1.795 20 0 CDADHL O=C([O-])[C@H]1CCN(c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC000095338223 1166624237 /nfs/dbraw/zinc/62/42/37/1166624237.db2.gz OXTQCCCROHPDIF-ZETCQYMHSA-N -2 3 293.714 1.431 20 0 CDADHL O=C([O-])[C@H]1CCN(c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC000095338223 1166624239 /nfs/dbraw/zinc/62/42/39/1166624239.db2.gz OXTQCCCROHPDIF-ZETCQYMHSA-N -2 3 293.714 1.431 20 0 CDADHL O=C([O-])C[C@H](NC(=O)c1cc(=O)[n-]cn1)c1ccccc1 ZINC001574371550 1170961128 /nfs/dbraw/zinc/96/11/28/1170961128.db2.gz WLXPONSQKLLDDH-JTQLQIEISA-N -2 3 287.275 1.128 20 0 CDADHL Cc1cc(C)c(-c2nn[n-]n2)c(N[C@H]2C[C@@H](C(=O)[O-])C2)n1 ZINC001591944876 1173753435 /nfs/dbraw/zinc/75/34/35/1173753435.db2.gz WUWBKTBLTLDEHB-DTORHVGOSA-N -2 3 288.311 1.154 20 0 CDADHL O=C([O-])C1(CNc2ccc(-c3nn[n-]n3)cc2F)CCC1 ZINC001593272466 1174045398 /nfs/dbraw/zinc/04/53/98/1174045398.db2.gz BONKIFYEIKVAFL-UHFFFAOYSA-N -2 3 291.286 1.673 20 0 CDADHL O=C([O-])c1cc(C(=O)NCc2ccc([O-])c(F)c2)c[nH]1 ZINC001601539975 1174895282 /nfs/dbraw/zinc/89/52/82/1174895282.db2.gz KPPCNPQERHKUOE-UHFFFAOYSA-N -2 3 278.239 1.488 20 0 CDADHL O=C([O-])[C@]1(F)CCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001601717268 1174965684 /nfs/dbraw/zinc/96/56/84/1174965684.db2.gz VIGOXNRRMOSOBM-ZDUSSCGKSA-N -2 3 281.287 1.058 20 0 CDADHL C[C@@H]1CCc2c(=O)n(Cc3cccc(-c4nn[n-]n4)c3)[n-]c21 ZINC001603880835 1175668032 /nfs/dbraw/zinc/66/80/32/1175668032.db2.gz HDMVUFUTKUFXFM-SKDRFNHKSA-N -2 3 296.334 1.611 20 0 CDADHL C[C@]([N-]C(=O)C(F)F)(C(=O)[O-])c1ccc(F)cc1 ZINC001609763662 1165071685 /nfs/dbraw/zinc/07/16/85/1165071685.db2.gz XLZUBEZIYMBZMC-LLVKDONJSA-N -2 3 261.199 1.507 20 0 CDADHL O=C([O-])[C@@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000236438801 747213178 /nfs/dbraw/zinc/21/31/78/747213178.db2.gz OVQGPWRHDZUQJW-MRVPVSSYSA-N -2 3 283.711 1.982 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CCCC1CCC1 ZINC000871995004 747316076 /nfs/dbraw/zinc/31/60/76/747316076.db2.gz FYYCPIDATCRGJK-UHFFFAOYSA-N -2 3 287.337 1.836 20 0 CDADHL O=C([N-]OCc1ccccc1)c1n[n-]c2ccccc2c1=O ZINC000171762573 748950594 /nfs/dbraw/zinc/95/05/94/748950594.db2.gz SXBCCUDCKBVQQF-UHFFFAOYSA-N -2 3 295.298 1.785 20 0 CDADHL CC(C)Oc1ncccc1COCCP(=O)([O-])[O-] ZINC001224603264 909920662 /nfs/dbraw/zinc/92/06/62/909920662.db2.gz WTGADZJKYHMNGG-UHFFFAOYSA-N -2 3 275.241 1.563 20 0 CDADHL O=C([O-])C(F)(F)C(F)(F)C(=O)[N-][C@@H]1C[C@H]1C1CC1 ZINC001180179651 916173278 /nfs/dbraw/zinc/17/32/78/916173278.db2.gz ICJIGPNYKLNOTG-NTSWFWBYSA-N -2 3 269.194 1.256 20 0 CDADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1cccc([S-])c1 ZINC001186162536 919896791 /nfs/dbraw/zinc/89/67/91/919896791.db2.gz CBXAULMOTIKYHX-UHFFFAOYSA-N -2 3 277.349 1.685 20 0 CDADHL Cn1ccnc1S(=O)(=O)[N-]c1ccc(F)c([O-])c1 ZINC001193600069 923833198 /nfs/dbraw/zinc/83/31/98/923833198.db2.gz NEXBLJGIVNVSKX-UHFFFAOYSA-N -2 3 271.273 1.066 20 0 CDADHL Cc1ccnc(F)c1C(=O)NCCCCP(=O)([O-])[O-] ZINC001199716643 925825748 /nfs/dbraw/zinc/82/57/48/925825748.db2.gz VONRYVYEDPSYBE-UHFFFAOYSA-N -2 3 290.231 1.217 20 0 CDADHL CCC[C@H](NC(=O)c1ccc(Cl)c([O-])c1)c1nn[n-]n1 ZINC001411855680 932080251 /nfs/dbraw/zinc/08/02/51/932080251.db2.gz IWFMDHCQMOWESE-VIFPVBQESA-N -2 3 295.730 1.830 20 0 CDADHL CC1=C[C@H](OCCCCP(=O)([O-])[O-])CC(=O)O1 ZINC001225023552 941816118 /nfs/dbraw/zinc/81/61/18/941816118.db2.gz YCGCIZJWHFKOAU-VIFPVBQESA-N -2 3 264.214 1.180 20 0 CDADHL [S-]c1[n-]c(OC[C@@H]2CCCO2)nc2ncnc1-2 ZINC001226780236 942068494 /nfs/dbraw/zinc/06/84/94/942068494.db2.gz GUWNTPSAPLZCHO-LURJTMIESA-N -2 3 252.299 1.199 20 0 CDADHL CC1(C)CCC(Oc2[n-]c(=O)nc3cn[n-]c32)CC1 ZINC001233934349 943693685 /nfs/dbraw/zinc/69/36/85/943693685.db2.gz KGVNRQWABBWDEK-UHFFFAOYSA-N -2 3 262.313 1.994 20 0 CDADHL CC1(C)CCC[C@H](Oc2[n-]c(=O)nc3cn[n-]c32)C1 ZINC001233940138 943696751 /nfs/dbraw/zinc/69/67/51/943696751.db2.gz SFTBRWGSOJMXAF-QMMMGPOBSA-N -2 3 262.313 1.994 20 0 CDADHL Cn1cc(S(=O)(=O)[N-]c2ccc(F)c([O-])c2)cn1 ZINC001259826343 945654314 /nfs/dbraw/zinc/65/43/14/945654314.db2.gz KJYLUGVPELUGGI-UHFFFAOYSA-N -2 3 271.273 1.066 20 0 CDADHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]C2CC(F)C2)c1 ZINC001260209090 945807424 /nfs/dbraw/zinc/80/74/24/945807424.db2.gz UECSJVXFXDEITL-UHFFFAOYSA-N -2 3 291.275 1.303 20 0 CDADHL Cc1cc2c(c(-c3cccc(F)c3[O-])n1)C(=O)[N-]C2=O ZINC001242349242 946687808 /nfs/dbraw/zinc/68/78/08/946687808.db2.gz KXAAHXKJJLZECQ-UHFFFAOYSA-N -2 3 272.235 1.785 20 0 CDADHL CCN(C(=O)Cc1ccc([O-])c(F)c1)[C@H](C)C(=O)[O-] ZINC001589704030 950263381 /nfs/dbraw/zinc/26/33/81/950263381.db2.gz VBRCESDIHCFLRM-MRVPVSSYSA-N -2 3 269.272 1.395 20 0 CDADHL O=C([O-])CC1(C(=O)N2CCCc3c(=O)[n-]cnc32)CCC1 ZINC001594972020 950865853 /nfs/dbraw/zinc/86/58/53/950865853.db2.gz ZCXVIAJBVYJMGH-UHFFFAOYSA-N -2 3 291.307 1.106 20 0 CDADHL CC(C)(CCNC(=O)c1cc2c(cc1[O-])OCO2)C(=O)[O-] ZINC001602942679 971910260 /nfs/dbraw/zinc/91/02/60/971910260.db2.gz BAGMKRMKGLOEMI-UHFFFAOYSA-N -2 3 295.291 1.352 20 0 CDADHL CC(C)CN(CC(=O)[O-])C(=O)c1ccccc1[O-] ZINC000059881822 957564871 /nfs/dbraw/zinc/56/48/71/957564871.db2.gz VYVXXPQDIXTFFX-UHFFFAOYSA-N -2 3 251.282 1.575 20 0 CDADHL Cc1cc(=O)[n-]c(NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)n1 ZINC001594326707 958179973 /nfs/dbraw/zinc/17/99/73/958179973.db2.gz IJBQPISZULINKR-OPASDULOSA-N -2 3 293.323 1.315 20 0 CDADHL C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1cc2c(cc1[O-])OCO2 ZINC001594218075 959347570 /nfs/dbraw/zinc/34/75/70/959347570.db2.gz NOISQLIOUQRFDP-VXNVDRBHSA-N -2 3 293.275 1.199 20 0 CDADHL Cc1cccc([O-])c1C(=O)N[C@H]1C[C@H]2C[C@@H](C(=O)[O-])C[C@H]21 ZINC001571035082 960520583 /nfs/dbraw/zinc/52/05/83/960520583.db2.gz JVWZZJJYELAYRE-KKOKHZNYSA-N -2 3 289.331 1.930 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H]3C[C@@H]32)oc1C(=O)[O-] ZINC001571069705 960877877 /nfs/dbraw/zinc/87/78/77/960877877.db2.gz HSCDJHKTKQCTPG-UTLUCORTSA-N -2 3 299.348 1.753 20 0 CDADHL O=C(Nc1c[n-][nH]c1=O)c1ccc(Br)c([O-])c1 ZINC001434432466 961374411 /nfs/dbraw/zinc/37/44/11/961374411.db2.gz AVFKSAFYYNWCKI-UHFFFAOYSA-N -2 3 298.096 1.836 20 0 CDADHL O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC001574588234 962118679 /nfs/dbraw/zinc/11/86/79/962118679.db2.gz SCLMJHURJXRDMS-APPZFPTMSA-N -2 3 292.270 1.080 20 0 CDADHL O=C([O-])c1ccc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cn1 ZINC001574609366 962202034 /nfs/dbraw/zinc/20/20/34/962202034.db2.gz RJYZWKBWYNUBIN-UHFFFAOYSA-N -2 3 298.258 1.614 20 0 CDADHL O=P([O-])([O-])CCCCNC(=S)Nc1ccccc1 ZINC001200846123 969010011 /nfs/dbraw/zinc/01/00/11/969010011.db2.gz ZJIWEUKTEYBEBS-UHFFFAOYSA-N -2 3 288.309 1.931 20 0 CDADHL O=C([O-])C1(C(=O)Nc2n[n-]c(-c3ccco3)n2)CC=CC1 ZINC001605943684 972895139 /nfs/dbraw/zinc/89/51/39/972895139.db2.gz FGFWMGZNZVMABE-UHFFFAOYSA-N -2 3 288.263 1.424 20 0 CDADHL CC[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000710619771 977516692 /nfs/dbraw/zinc/51/66/92/977516692.db2.gz DZXSDJQITVKAHK-SFYZADRCSA-N -2 3 273.310 1.302 20 0 CDADHL C=C/C=C\CC[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000713495498 977640037 /nfs/dbraw/zinc/64/00/37/977640037.db2.gz WHPKAXMALPZXPI-ARJAWSKDSA-N -2 3 288.350 1.252 20 0 CDADHL CC[C@H](C)[C@H](Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)[O-] ZINC001604499626 1163207719 /nfs/dbraw/zinc/20/77/19/1163207719.db2.gz GSHSLTGEOXIFKA-CPCISQLKSA-N -2 3 293.302 1.917 20 0 CDADHL CCCCC1([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1 ZINC001573734259 983091614 /nfs/dbraw/zinc/09/16/14/983091614.db2.gz XGVONFMLNGCVAG-UHFFFAOYSA-N -2 3 287.341 1.109 20 0 CDADHL CC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C(=O)[O-])c1[O-] ZINC001589311392 986094838 /nfs/dbraw/zinc/09/48/38/986094838.db2.gz NKUQFFIDTHXFLO-DTWKUNHWSA-N -2 3 263.249 1.254 20 0 CDADHL CSc1ccc([O-])c(C(=O)NC[C@H]2C[C@H]2C(=O)[O-])c1 ZINC001599820357 988502500 /nfs/dbraw/zinc/50/25/00/988502500.db2.gz VQZPLUUPRNEQEI-VXNVDRBHSA-N -2 3 281.333 1.565 20 0 CDADHL CC(C)(CC(=O)[O-])CC(=O)[N-]OC1CCOCC1 ZINC001590635055 990322311 /nfs/dbraw/zinc/32/23/11/990322311.db2.gz GBOWGUCCHHJBKE-UHFFFAOYSA-N -2 3 259.302 1.104 20 0 CDADHL CC[C@H](C)[C@H](OC(=O)Cc1c(C)nc(C)[n-]c1=O)C(=O)[O-] ZINC001604948283 1163394903 /nfs/dbraw/zinc/39/49/03/1163394903.db2.gz VVJLNJRUMMVZRQ-MADCSZMMSA-N -2 3 296.323 1.384 20 0 CDADHL CC1(C)CCC[C@@](NC(=O)c2cc(=O)[n-]cn2)(C(=O)[O-])C1 ZINC001593892426 996741033 /nfs/dbraw/zinc/74/10/33/996741033.db2.gz MVDUQZYMCOHQEV-AWEZNQCLSA-N -2 3 293.323 1.336 20 0 CDADHL C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1cc(C(=O)[O-])no1 ZINC001594297275 999146719 /nfs/dbraw/zinc/14/67/19/999146719.db2.gz UQMQKCWZAFOMQU-SFYZADRCSA-N -2 3 268.269 1.058 20 0 CDADHL C[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001594359397 999358021 /nfs/dbraw/zinc/35/80/21/999358021.db2.gz GJWGBPAEHKDJQF-BDAKNGLRSA-N -2 3 287.337 1.692 20 0 CDADHL CC[C@H]1CN(C(=O)c2ccccc2[O-])C[C@]1(F)C(=O)[O-] ZINC001573824116 1170787456 /nfs/dbraw/zinc/78/74/56/1170787456.db2.gz IMSRNLVHHFDHQY-LKFCYVNXSA-N -2 3 281.283 1.667 20 0 CDADHL C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000095153056 342464328 /nfs/dbraw/zinc/46/43/28/342464328.db2.gz IXUSSTXIBNTUCG-QMMMGPOBSA-N -2 3 289.295 1.306 20 0 CDADHL C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000095153056 342464329 /nfs/dbraw/zinc/46/43/29/342464329.db2.gz IXUSSTXIBNTUCG-QMMMGPOBSA-N -2 3 289.295 1.306 20 0 CDADHL Cc1ccc(F)c(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)c1 ZINC000138943339 362011518 /nfs/dbraw/zinc/01/15/18/362011518.db2.gz XMUMCWVSZSKEHJ-UHFFFAOYSA-N -2 3 287.312 1.277 20 0 CDADHL O=C([O-])c1ccccc1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000273383440 192133887 /nfs/dbraw/zinc/13/38/87/192133887.db2.gz GLDUARPOBVVNEA-JTQLQIEISA-N -2 3 299.348 1.696 20 0 CDADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000035085682 356827359 /nfs/dbraw/zinc/82/73/59/356827359.db2.gz QKPZJLSCJYCQNL-SECBINFHSA-N -2 3 279.264 1.106 20 0 CDADHL CCC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000036838313 356886762 /nfs/dbraw/zinc/88/67/62/356886762.db2.gz FJWXXPZFQXOTMT-SECBINFHSA-N -2 3 293.291 1.496 20 0 CDADHL CCC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CCC1 ZINC000567609444 293818436 /nfs/dbraw/zinc/81/84/36/293818436.db2.gz JLKBCZHERUUJKH-UHFFFAOYSA-N -2 3 287.337 1.836 20 0 CDADHL O=S(=O)(C[C@H]1CCCO1)[N-]c1cc(F)ccc1[O-] ZINC000085203632 358255295 /nfs/dbraw/zinc/25/52/95/358255295.db2.gz AXXIYMHTNBUQTR-SECBINFHSA-N -2 3 275.301 1.452 20 0 CDADHL Cc1csc(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])c1 ZINC000263561856 359302535 /nfs/dbraw/zinc/30/25/35/359302535.db2.gz SGCRITMHWABOJP-UHFFFAOYSA-N -2 3 291.394 1.978 20 0 CDADHL Cc1ccc(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)c([O-])c1 ZINC000436738165 361569032 /nfs/dbraw/zinc/56/90/32/361569032.db2.gz KRLNGVWCZHSTSJ-UHFFFAOYSA-N -2 3 297.261 1.710 20 0 CDADHL O=S(=O)([N-]c1cc(Cl)ccc1[O-])N1CCOCC1 ZINC000034939293 364194040 /nfs/dbraw/zinc/19/40/40/364194040.db2.gz BLEQPSGNNZQECJ-UHFFFAOYSA-N -2 3 292.744 1.035 20 0 CDADHL CC1(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)CC1 ZINC000280042094 367237315 /nfs/dbraw/zinc/23/73/15/367237315.db2.gz QVEIQXRKFLHIHO-UHFFFAOYSA-N -2 3 289.378 1.915 20 0 CDADHL O=C([N-]c1n[n-]c(SCCO)n1)c1cc(C2CC2)no1 ZINC000282186576 367763978 /nfs/dbraw/zinc/76/39/78/367763978.db2.gz YDRPGZMLJMWXAV-UHFFFAOYSA-N -2 3 295.324 1.007 20 0 CDADHL CCc1ccc([O-])c(C(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000263576139 370956422 /nfs/dbraw/zinc/95/64/22/370956422.db2.gz QAMGEXTYBKMGST-NSHDSACASA-N -2 3 263.293 1.644 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@H](C)CCC(=O)[O-])c(F)c1 ZINC000275049649 371198657 /nfs/dbraw/zinc/19/86/57/371198657.db2.gz SDWJWDVPIUYFII-SECBINFHSA-N -2 3 289.328 1.666 20 0 CDADHL C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000127105612 375042112 /nfs/dbraw/zinc/04/21/12/375042112.db2.gz ODWJVAWMURFBKJ-RXMQYKEDSA-N -2 3 281.692 1.231 20 0 CDADHL CO[C@@H]1CCN(C(=O)c2ccc(C)cc2[O-])[C@H](C(=O)[O-])C1 ZINC000572060937 377678130 /nfs/dbraw/zinc/67/81/30/377678130.db2.gz VWIIPVULOJSTBF-PWSUYJOCSA-N -2 3 293.319 1.405 20 0 CDADHL O=S(=O)(C[C@H]1CCCO1)[N-]c1cc(Cl)ccc1[O-] ZINC000063156130 378264090 /nfs/dbraw/zinc/26/40/90/378264090.db2.gz NSPHIXMAPVYYPX-SECBINFHSA-N -2 3 291.756 1.966 20 0 CDADHL O=C([O-])CC[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000430391836 391940675 /nfs/dbraw/zinc/94/06/75/391940675.db2.gz WIVKQDVOTCKGMQ-UHFFFAOYSA-N -2 3 298.147 1.746 20 0 CDADHL Cc1cccc2cc(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])sc21 ZINC000646019932 391907891 /nfs/dbraw/zinc/90/78/91/391907891.db2.gz RWDPUGFXXPSVLS-QMMMGPOBSA-N -2 3 299.373 1.961 20 0 CDADHL CCC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000567896246 392284514 /nfs/dbraw/zinc/28/45/14/392284514.db2.gz UZYAGYHQWDIURV-UHFFFAOYSA-N -2 3 275.326 1.753 20 0 CDADHL CCCCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000034972471 392763451 /nfs/dbraw/zinc/76/34/51/392763451.db2.gz BOBKKIWHXBAGJM-UHFFFAOYSA-N -2 3 261.299 1.446 20 0 CDADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2ccc[nH]2)c1 ZINC000185087521 140035807 /nfs/dbraw/zinc/03/58/07/140035807.db2.gz SVSZDYCRKQUFDN-UHFFFAOYSA-N -2 3 286.334 1.253 20 0 CDADHL CC[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000022152194 171359208 /nfs/dbraw/zinc/35/92/08/171359208.db2.gz CRTABSCYPHVCME-LURJTMIESA-N -2 3 293.291 1.740 20 0 CDADHL CC[C@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)C(=O)[O-] ZINC000035085668 171973217 /nfs/dbraw/zinc/97/32/17/171973217.db2.gz ZKZULEYOKFEFJJ-VIFPVBQESA-N -2 3 279.264 1.106 20 0 CDADHL C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000037254944 173066025 /nfs/dbraw/zinc/06/60/25/173066025.db2.gz QZFNRAKBUYYAAH-RKDXNWHRSA-N -2 3 287.337 1.835 20 0 CDADHL Cc1cccc(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)c1[O-] ZINC000037366091 173155442 /nfs/dbraw/zinc/15/54/42/173155442.db2.gz FNKWLUGHRSLYAV-CQSZACIVSA-N -2 3 263.293 1.684 20 0 CDADHL CC(C)CCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000038093489 174107581 /nfs/dbraw/zinc/10/75/81/174107581.db2.gz QNSZJZKHDRPJDZ-UHFFFAOYSA-N -2 3 275.326 1.692 20 0 CDADHL CC(C)C[C@H](CNc1cccc(-c2nnn[n-]2)n1)C(=O)[O-] ZINC001589556070 1173158433 /nfs/dbraw/zinc/15/84/33/1173158433.db2.gz FNLCKGQAYRCUJR-SECBINFHSA-N -2 3 290.327 1.421 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CC=CCC2)o1 ZINC000045630134 423819292 /nfs/dbraw/zinc/81/92/92/423819292.db2.gz SIXAMKJDYIEVNK-VIFPVBQESA-N -2 3 285.321 1.612 20 0 CDADHL CCC[C@@H](NC(=O)c1cccc(C)c1[O-])c1nnn[n-]1 ZINC000095287810 265301153 /nfs/dbraw/zinc/30/11/53/265301153.db2.gz ZFMXMURZDAIKTG-SNVBAGLBSA-N -2 3 275.312 1.485 20 0 CDADHL CCC[C@@H](NC(=O)c1cccc(C)c1[O-])c1nn[n-]n1 ZINC000095287810 265301158 /nfs/dbraw/zinc/30/11/58/265301158.db2.gz ZFMXMURZDAIKTG-SNVBAGLBSA-N -2 3 275.312 1.485 20 0 CDADHL C/C=C/C[C@H]([N-]S(=O)(=O)c1cnc(C)s1)C(=O)[O-] ZINC000575057103 295093450 /nfs/dbraw/zinc/09/34/50/295093450.db2.gz DKEXXARJKAMCPW-RTMURIBGSA-N -2 3 290.366 1.149 20 0 CDADHL Cc1csc(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])c1 ZINC000577065955 317259617 /nfs/dbraw/zinc/25/96/17/317259617.db2.gz NHCXRNHMCROLRY-UHFFFAOYSA-N -2 3 277.367 1.588 20 0 CDADHL C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000583142288 325114902 /nfs/dbraw/zinc/11/49/02/325114902.db2.gz LUVULNVPRSKDGI-IONNQARKSA-N -2 3 273.310 1.445 20 0 CDADHL CC(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000184853385 519749240 /nfs/dbraw/zinc/74/92/40/519749240.db2.gz BYNIHRQYVZGLIZ-UHFFFAOYSA-N -2 3 293.291 1.597 20 0 CDADHL O=C([O-])[C@@H](CNC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000061608575 527646225 /nfs/dbraw/zinc/64/62/25/527646225.db2.gz SKEVASCUCAYYDB-AWEZNQCLSA-N -2 3 285.299 1.990 20 0 CDADHL COc1ccc([O-])c(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)c1 ZINC000262258409 536819031 /nfs/dbraw/zinc/81/90/31/536819031.db2.gz YOKBFJYFZQFJNK-ZDUSSCGKSA-N -2 3 283.255 1.040 20 0 CDADHL O=C(OCc1n[nH]c(=O)[n-]1)c1ccc(Cl)cc1[O-] ZINC000774885163 575249017 /nfs/dbraw/zinc/24/90/17/575249017.db2.gz UFALJSPIRXBEJE-UHFFFAOYSA-N -2 3 269.644 1.226 20 0 CDADHL COCCS(=O)(=O)[N-]c1cccc(NC(=O)[O-])c1 ZINC000737823138 575091460 /nfs/dbraw/zinc/09/14/60/575091460.db2.gz FVQXZRAKHOVHRQ-UHFFFAOYSA-N -2 3 274.298 1.165 20 0 CDADHL O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1ccccc1[O-] ZINC000739722012 576285125 /nfs/dbraw/zinc/28/51/25/576285125.db2.gz MRRJBVHAIAQZDN-LLVKDONJSA-N -2 3 293.319 1.488 20 0 CDADHL O=C([O-])C[C@H](NC(=O)c1ccc(O)cc1[O-])C1CCCC1 ZINC001601904216 1175058857 /nfs/dbraw/zinc/05/88/57/1175058857.db2.gz BJKMPCADZBVCQC-LBPRGKRZSA-N -2 3 293.319 1.861 20 0 CDADHL O=C([O-])c1ccc(C[S@](=O)c2ccc([O-])cc2)nc1 ZINC001602358080 1175222875 /nfs/dbraw/zinc/22/28/75/1175222875.db2.gz XJTXXYHQCCJBEQ-IBGZPJMESA-N -2 3 277.301 1.793 20 0 CDADHL CC(C)c1ccc(C(=O)NC2CN(C(=O)[O-])C2)c([O-])c1 ZINC000827118275 604768081 /nfs/dbraw/zinc/76/80/81/604768081.db2.gz QDSIUATXKDOKLT-UHFFFAOYSA-N -2 3 278.308 1.608 20 0 CDADHL O=C([O-])[C@H]1CCCN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000909612790 620508917 /nfs/dbraw/zinc/50/89/17/620508917.db2.gz QGBZGEBIYPMTTR-GFCCVEGCSA-N -2 3 295.310 1.930 20 0 CDADHL O=C([O-])C[C@@H]1CC[C@H](NC(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000908379088 628167871 /nfs/dbraw/zinc/16/78/71/628167871.db2.gz ONLRBSNXLPNIJT-KOLCDFICSA-N -2 3 295.310 1.833 20 0 CDADHL Cc1nc(N2CCc3c(nc[n-]c3=O)C2)ccc1C(=O)[O-] ZINC000910378687 629043378 /nfs/dbraw/zinc/04/33/78/629043378.db2.gz QLQLJPZSEUPONI-UHFFFAOYSA-N -2 3 286.291 1.147 20 0 CDADHL CC(C)(CO)O[N-]C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000911812043 629544355 /nfs/dbraw/zinc/54/43/55/629544355.db2.gz HIZUYUOCRBDLET-UHFFFAOYSA-N -2 3 281.308 1.136 20 0 CDADHL COc1cccc([O-])c1C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001607326525 1164150016 /nfs/dbraw/zinc/15/00/16/1164150016.db2.gz IYGPUCMUGBVGMK-OLBFVZFUSA-N -2 3 291.303 1.384 20 0 CDADHL O=C([O-])c1ccc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)[nH]1 ZINC001608876365 1164670377 /nfs/dbraw/zinc/67/03/77/1164670377.db2.gz NBNJKTFYCQVWSJ-UHFFFAOYSA-N -2 3 298.262 1.145 20 0 CDADHL O=C([O-])c1ccc(C[N-]c2nnc([C@H]3CCCO3)o2)nc1 ZINC001608888929 1164677041 /nfs/dbraw/zinc/67/70/41/1164677041.db2.gz ZUCSHEQXQGDDTI-SNVBAGLBSA-N -2 3 290.279 1.626 20 0 CDADHL O=C([O-])c1ccoc1CN1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC001608955036 1164695848 /nfs/dbraw/zinc/69/58/48/1164695848.db2.gz COSFZZSVDZAZAP-MRVPVSSYSA-N -2 3 293.279 1.446 20 0 CDADHL O=C([O-])c1cncnc1NCCc1c(F)cc([O-])cc1F ZINC001608984069 1164706384 /nfs/dbraw/zinc/70/63/84/1164706384.db2.gz QTNJBJCBKOCEEL-UHFFFAOYSA-N -2 3 295.245 1.813 20 0 CDADHL O=C([O-])c1ccc(C(=O)NCc2ccc([O-])c(F)c2)[nH]1 ZINC001610823493 1165453731 /nfs/dbraw/zinc/45/37/31/1165453731.db2.gz QROUJNNSNVOGNG-UHFFFAOYSA-N -2 3 278.239 1.488 20 0 CDADHL Cc1nc2c(c(=O)[n-]1)CN(Cc1cncc(C(=O)[O-])c1)C2 ZINC001600717958 1174579980 /nfs/dbraw/zinc/57/99/80/1174579980.db2.gz JGOXUMKYEQBCPY-UHFFFAOYSA-N -2 3 286.291 1.100 20 0 CDADHL C[C@@H]1CN(c2ccc(-c3nn[n-]n3)cc2)CC[C@H]1C(=O)[O-] ZINC001603939111 1175692790 /nfs/dbraw/zinc/69/27/90/1175692790.db2.gz JTEXPYZQZQGHPR-BXKDBHETSA-N -2 3 287.323 1.414 20 0 CDADHL Cc1cc(CNC(=O)c2ccccc2[O-])oc1C(=O)[O-] ZINC001607646431 1164255772 /nfs/dbraw/zinc/25/57/72/1164255772.db2.gz LEHKNWBZNWCWQV-UHFFFAOYSA-N -2 3 275.260 1.922 20 0 CDADHL CC[C@](C)(NC(=O)c1cc(NC(C)=O)ccc1[O-])C(=O)[O-] ZINC001609896038 1165135542 /nfs/dbraw/zinc/13/55/42/1165135542.db2.gz FWYHKBUJKUSDRQ-AWEZNQCLSA-N -2 3 294.307 1.334 20 0 CDADHL CCc1cccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)c1[O-] ZINC001610065387 1165200397 /nfs/dbraw/zinc/20/03/97/1165200397.db2.gz RHUDRGZZZCCZGW-KOLCDFICSA-N -2 3 277.320 1.890 20 0 CDADHL CC(=O)c1ccc(C(=O)N[C@H](C)CC(=O)[O-])cc1[O-] ZINC000842697283 749447357 /nfs/dbraw/zinc/44/73/57/749447357.db2.gz RVHFQUCYYWPKHS-SSDOTTSWSA-N -2 3 265.265 1.188 20 0 CDADHL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc(N)cc2[O-])C1 ZINC000844935000 750824799 /nfs/dbraw/zinc/82/47/99/750824799.db2.gz QRZNRJXWPPBLQI-RKDXNWHRSA-N -2 3 278.308 1.157 20 0 CDADHL C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000716433464 751166910 /nfs/dbraw/zinc/16/69/10/751166910.db2.gz JVWVDOMUJHSGLL-YKDSUIRESA-N -2 3 299.348 1.548 20 0 CDADHL COCCN(CC(=O)[O-])C(=O)c1cc([O-])ccc1Cl ZINC000234612070 753169469 /nfs/dbraw/zinc/16/94/69/753169469.db2.gz RNRBZAHHAAVFEI-UHFFFAOYSA-N -2 3 287.699 1.219 20 0 CDADHL O=C([O-])CCCCCCNC(=O)NCc1ncccc1[O-] ZINC001610768721 1165435679 /nfs/dbraw/zinc/43/56/79/1165435679.db2.gz FTMYEBASBIXSGC-UHFFFAOYSA-N -2 3 295.339 1.622 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@]23C[C@H]2CCC3)c1 ZINC000694234426 898207323 /nfs/dbraw/zinc/20/73/23/898207323.db2.gz YGBSGEWFACBSLD-SKDRFNHKSA-N -2 3 285.321 1.446 20 0 CDADHL O=Nc1c(=O)[n-]c(=O)[nH]c1Nc1ccc(C(=O)[O-])cc1F ZINC001203286349 921666149 /nfs/dbraw/zinc/66/61/49/921666149.db2.gz DPHVXWKZUCLLJJ-UHFFFAOYSA-N -2 3 294.198 1.867 20 0 CDADHL O=C1CCCC[C@H]1OCCCCP(=O)([O-])[O-] ZINC001225019680 911596863 /nfs/dbraw/zinc/59/68/63/911596863.db2.gz ZSLOCOAZVMDWJH-SNVBAGLBSA-N -2 3 250.231 1.473 20 0 CDADHL O=S(=O)([N-][C@@H]1[CH]CC=C1)c1cccnc1Cl ZINC001184909272 919336567 /nfs/dbraw/zinc/33/65/67/919336567.db2.gz KCKBJYUXRUPAGV-QMMMGPOBSA-N -2 3 257.722 1.546 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1cc2cccnc2[nH]1 ZINC001151551774 920005998 /nfs/dbraw/zinc/00/59/98/920005998.db2.gz LWXDNVQYNGZMEO-UHFFFAOYSA-N -2 3 297.251 1.251 20 0 CDADHL Cc1ccc(Cl)c(NC(=O)NCCP(=O)([O-])[O-])c1 ZINC001191715586 922705652 /nfs/dbraw/zinc/70/56/52/922705652.db2.gz QJHOYLPGZDULSG-UHFFFAOYSA-N -2 3 292.659 1.948 20 0 CDADHL O=C([N-]c1noc2nccnc12)c1c([O-])ccc(F)c1F ZINC001192729381 923207574 /nfs/dbraw/zinc/20/75/74/923207574.db2.gz HYBWLCBWKMKKLU-UHFFFAOYSA-N -2 3 292.201 1.854 20 0 CDADHL CCCCCCNC(=S)NCCP(=O)([O-])[O-] ZINC001200959457 926170984 /nfs/dbraw/zinc/17/09/84/926170984.db2.gz BKUPSUJPYUJUSQ-UHFFFAOYSA-N -2 3 268.319 1.209 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1cnoc1C1CC1 ZINC001147666390 932571498 /nfs/dbraw/zinc/57/14/98/932571498.db2.gz SHLFZFYEQKMJGY-UHFFFAOYSA-N -2 3 288.240 1.240 20 0 CDADHL CCc1cc(C(=O)NCCCCP(=O)([O-])[O-])cs1 ZINC001147713666 932587854 /nfs/dbraw/zinc/58/78/54/932587854.db2.gz HENQMPPWKIDVIB-UHFFFAOYSA-N -2 3 291.309 1.998 20 0 CDADHL COC(=O)C[C@H]1CCC[C@@H](OCCP(=O)([O-])[O-])C1 ZINC001224602961 941774179 /nfs/dbraw/zinc/77/41/79/941774179.db2.gz UKKCHFXJDNQEIP-VHSXEESVSA-N -2 3 280.257 1.303 20 0 CDADHL O=C1CC[C@H](OCCP(=O)([O-])[O-])c2ccccc21 ZINC001224603636 941774588 /nfs/dbraw/zinc/77/45/88/941774588.db2.gz ATCKHPDGEZEXJR-LBPRGKRZSA-N -2 3 270.221 1.899 20 0 CDADHL C[C@H](OCCCCP(=O)([O-])[O-])C1CCOCC1 ZINC001225022378 941816239 /nfs/dbraw/zinc/81/62/39/941816239.db2.gz OEGCXXDYPABDNV-JTQLQIEISA-N -2 3 266.274 1.776 20 0 CDADHL CO[C@H](C)CO[C@@H](C)COc1nc2ncnc-2c([S-])[n-]1 ZINC001226782029 942070460 /nfs/dbraw/zinc/07/04/60/942070460.db2.gz ONUHIXFXTPUCBU-SFYZADRCSA-N -2 3 298.368 1.460 20 0 CDADHL CN1CC=C(c2c(C(=O)[O-])cccc2C(=O)[O-])CC1 ZINC001241316826 946213265 /nfs/dbraw/zinc/21/32/65/946213265.db2.gz FCCSKKLXJYHJDW-UHFFFAOYSA-N -2 3 261.277 1.802 20 0 CDADHL O=S(=O)([N-]c1cncc([O-])c1)c1ccc(F)cc1F ZINC001255991574 948151923 /nfs/dbraw/zinc/15/19/23/948151923.db2.gz PCDCDSWZMHCLTN-UHFFFAOYSA-N -2 3 286.259 1.866 20 0 CDADHL CC(=O)Nc1ccc([O-])c([N-]S(=O)(=O)C(F)(F)F)c1 ZINC001252364840 951220244 /nfs/dbraw/zinc/22/02/44/951220244.db2.gz WJWTUHQRORDING-UHFFFAOYSA-N -2 3 298.242 1.612 20 0 CDADHL CCC(CC)(C[N-]S(=O)(=O)c1conc1C)C(=O)[O-] ZINC001589507011 955039683 /nfs/dbraw/zinc/03/96/83/955039683.db2.gz SVWRXHXLZLTPEC-UHFFFAOYSA-N -2 3 290.341 1.152 20 0 CDADHL Cc1nc(N2CCc3nc[n-]c(=O)c3C2)sc1C(=O)[O-] ZINC001594456536 959421796 /nfs/dbraw/zinc/42/17/96/959421796.db2.gz GMYLTSCUYXEPOU-UHFFFAOYSA-N -2 3 292.320 1.208 20 0 CDADHL CC(C)(C)[C@@H](C(=O)[O-])C(=O)NCc1ccc([O-])c(F)c1 ZINC001588635186 959650261 /nfs/dbraw/zinc/65/02/61/959650261.db2.gz UITXMHJKFYVCGW-LLVKDONJSA-N -2 3 283.299 1.894 20 0 CDADHL CCC[C@H](NC(=O)c1ccc([O-])cc1F)c1nnn[n-]1 ZINC001445346014 966163723 /nfs/dbraw/zinc/16/37/23/966163723.db2.gz OFLSPUZOWSIFBW-JTQLQIEISA-N -2 3 279.275 1.316 20 0 CDADHL CCC[C@H](NC(=O)c1ccc([O-])cc1F)c1nn[n-]n1 ZINC001445346014 966163729 /nfs/dbraw/zinc/16/37/29/966163729.db2.gz OFLSPUZOWSIFBW-JTQLQIEISA-N -2 3 279.275 1.316 20 0 CDADHL O=C([O-])[C@@H]1CC[C@H]1C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC001606409331 973861476 /nfs/dbraw/zinc/86/14/76/973861476.db2.gz AWDMZPBUXLVXLQ-NXEZZACHSA-N -2 3 292.291 1.214 20 0 CDADHL CCOC(=O)c1ncc(NC(=O)C(CC)(CC)C(=O)[O-])[n-]1 ZINC001603819346 974302901 /nfs/dbraw/zinc/30/29/01/974302901.db2.gz VMIZIAQUUMUZQR-UHFFFAOYSA-N -2 3 297.311 1.416 20 0 CDADHL CCOC(=O)c1nc(NC(=O)C(CC)(CC)C(=O)[O-])c[n-]1 ZINC001603819346 974302910 /nfs/dbraw/zinc/30/29/10/974302910.db2.gz VMIZIAQUUMUZQR-UHFFFAOYSA-N -2 3 297.311 1.416 20 0 CDADHL CC(C)c1ccc(C(=O)NC[C@@H](C)C(=O)[O-])c([O-])c1 ZINC001592696729 979150730 /nfs/dbraw/zinc/15/07/30/979150730.db2.gz HNLLXIBOMNSHAR-SECBINFHSA-N -2 3 265.309 1.966 20 0 CDADHL CC[C@@H](C)CC[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001573677047 983082113 /nfs/dbraw/zinc/08/21/13/983082113.db2.gz FULXHZGYCXGBBY-SSDOTTSWSA-N -2 3 289.357 1.131 20 0 CDADHL C/C(=C\CN1Cc2nc(C3CC3)[n-]c(=O)c2C1)C(=O)[O-] ZINC001588961273 984737688 /nfs/dbraw/zinc/73/76/88/984737688.db2.gz NXFYMXRKZJJRAW-XBXARRHUSA-N -2 3 275.308 1.406 20 0 CDADHL C[C@H]1CC[C@@](NC(=O)c2ccc(N)cc2[O-])(C(=O)[O-])CC1 ZINC001599907546 984943039 /nfs/dbraw/zinc/94/30/39/984943039.db2.gz HDBDBUNQAYSXOJ-AZKDTHOKSA-N -2 3 292.335 1.738 20 0 CDADHL CCc1cccc(C(=O)N2CCC[C@H](O)[C@H]2C(=O)[O-])c1[O-] ZINC001597570675 988349159 /nfs/dbraw/zinc/34/91/59/988349159.db2.gz XNLUSCHFAPBKLW-RYUDHWBXSA-N -2 3 293.319 1.005 20 0 CDADHL C[C@@](NC(=O)c1cc(F)cc2n[n-]nc21)(C(=O)[O-])C1CC1 ZINC001593156237 993972975 /nfs/dbraw/zinc/97/29/75/993972975.db2.gz QISIVMBAKRSPOH-ZDUSSCGKSA-N -2 3 292.270 1.080 20 0 CDADHL COc1cccc([C@@H](SCCc2nnn[n-]2)C(=O)[O-])c1 ZINC001599661892 994669107 /nfs/dbraw/zinc/66/91/07/994669107.db2.gz TURWUZOQGYINKW-LLVKDONJSA-N -2 3 294.336 1.310 20 0 CDADHL COc1cccc([C@@H](SCCc2nn[n-]n2)C(=O)[O-])c1 ZINC001599661892 994669112 /nfs/dbraw/zinc/66/91/12/994669112.db2.gz TURWUZOQGYINKW-LLVKDONJSA-N -2 3 294.336 1.310 20 0 CDADHL COC[C@@H](OC(=O)c1cc(-c2ccc(C)o2)[n-]n1)C(=O)[O-] ZINC001599186476 997035820 /nfs/dbraw/zinc/03/58/20/997035820.db2.gz ZXRSTNXUWMPKFI-LLVKDONJSA-N -2 3 294.263 1.235 20 0 CDADHL C[C@@H](CN(C)C(=O)c1ccc(Cl)cc1[O-])c1nnn[n-]1 ZINC000124526400 187142247 /nfs/dbraw/zinc/14/22/47/187142247.db2.gz GZPKSVMYKYWMON-ZETCQYMHSA-N -2 3 295.730 1.434 20 0 CDADHL C[C@@H](CN(C)C(=O)c1ccc(Cl)cc1[O-])c1nn[n-]n1 ZINC000124526400 187142248 /nfs/dbraw/zinc/14/22/48/187142248.db2.gz GZPKSVMYKYWMON-ZETCQYMHSA-N -2 3 295.730 1.434 20 0 CDADHL COc1ccc(C(=O)NC2(C(=O)[O-])CCCC2)c([O-])c1 ZINC000037329726 346358181 /nfs/dbraw/zinc/35/81/81/346358181.db2.gz HKOJCBNYYLURBV-UHFFFAOYSA-N -2 3 279.292 1.528 20 0 CDADHL C[C@@H](C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)C(=O)[O-] ZINC000274890749 365843604 /nfs/dbraw/zinc/84/36/04/365843604.db2.gz FUJILALQYYZLSP-LURJTMIESA-N -2 3 295.719 1.478 20 0 CDADHL COCCS(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-] ZINC000111278904 186387147 /nfs/dbraw/zinc/38/71/47/186387147.db2.gz JRINUVADXDPSFE-UHFFFAOYSA-N -2 3 293.728 1.426 20 0 CDADHL COC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(OC)cc1[O-] ZINC000621998930 350924734 /nfs/dbraw/zinc/92/47/34/350924734.db2.gz FXECZMXOYUJDQA-AWEZNQCLSA-N -2 3 297.307 1.010 20 0 CDADHL C/C=C\C[C@@H](NC(=O)c1ccc(C)cc1[O-])C(=O)[O-] ZINC000569777012 363053236 /nfs/dbraw/zinc/05/32/36/363053236.db2.gz HHADPIXVQSZNPX-DLRQAJBASA-N -2 3 263.293 1.850 20 0 CDADHL Cc1ccc(F)c(S(=O)(=O)[N-]C[C@@H](C)C(=O)[O-])c1 ZINC000054334111 357317514 /nfs/dbraw/zinc/31/75/14/357317514.db2.gz RXSNJYJXPWVBBA-MRVPVSSYSA-N -2 3 275.301 1.133 20 0 CDADHL O=C(Nc1cc(Cl)c([O-])cc1F)c1c[n-]nn1 ZINC000345699843 358821580 /nfs/dbraw/zinc/82/15/80/358821580.db2.gz MBLLPSVCPQWERO-UHFFFAOYSA-N -2 3 256.624 1.555 20 0 CDADHL O=C(Nc1cc(Cl)c([O-])cc1F)c1cnn[n-]1 ZINC000345699843 358821581 /nfs/dbraw/zinc/82/15/81/358821581.db2.gz MBLLPSVCPQWERO-UHFFFAOYSA-N -2 3 256.624 1.555 20 0 CDADHL O=C(Nc1cc(Cl)c([O-])cc1F)c1cn[n-]n1 ZINC000345699843 358821582 /nfs/dbraw/zinc/82/15/82/358821582.db2.gz MBLLPSVCPQWERO-UHFFFAOYSA-N -2 3 256.624 1.555 20 0 CDADHL Cc1ccc(CO[C@H](C)C(=O)N=c2ccc([O-])n[n-]2)cc1 ZINC000637126660 359243347 /nfs/dbraw/zinc/24/33/47/359243347.db2.gz HVDALGJLCJOIFE-LLVKDONJSA-N -2 3 287.319 1.456 20 0 CDADHL CCc1ccc([O-])c(C(=O)N2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000263445899 359281579 /nfs/dbraw/zinc/28/15/79/359281579.db2.gz QYXTVSIFCAMUGO-HNNXBMFYSA-N -2 3 277.320 1.891 20 0 CDADHL COc1ccc([O-])c(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000097058510 360916136 /nfs/dbraw/zinc/91/61/36/360916136.db2.gz PVTIBYHFDCWRHE-BDAKNGLRSA-N -2 3 279.292 1.384 20 0 CDADHL O=C([O-])[C@H](CC(F)F)[N-]S(=O)(=O)c1cccc(F)c1 ZINC000275331900 193001913 /nfs/dbraw/zinc/00/19/13/193001913.db2.gz UEJHPGBMWJZSNX-QMMMGPOBSA-N -2 3 297.254 1.212 20 0 CDADHL CC[C@H]([N-]S(=O)(=O)c1csc(C(=O)[O-])c1)C(F)F ZINC000414331357 241156900 /nfs/dbraw/zinc/15/69/00/241156900.db2.gz TZCLQGQFUQRJKI-LURJTMIESA-N -2 3 299.320 1.768 20 0 CDADHL CC[C@H]([N-]S(=O)(=O)c1cccc(C)c1F)C(=O)[O-] ZINC000275015439 371199581 /nfs/dbraw/zinc/19/95/81/371199581.db2.gz CLCBGSSZIIWZRJ-QMMMGPOBSA-N -2 3 275.301 1.276 20 0 CDADHL CCCC[C@@H]([N-]S(=O)(=O)c1cscn1)C(=O)[O-] ZINC000647639709 391067311 /nfs/dbraw/zinc/06/73/11/391067311.db2.gz MOBVMPNFOYGXLA-SSDOTTSWSA-N -2 3 278.355 1.065 20 0 CDADHL Cn1ccc(C(=O)N=c2ccc([O-])n[n-]2)c1C1CCC1 ZINC000410720233 391332901 /nfs/dbraw/zinc/33/29/01/391332901.db2.gz RBOGNUDFLPMTRK-UHFFFAOYSA-N -2 3 272.308 1.462 20 0 CDADHL [O-]c1cccnc1CSc1n[n-]c(=NC2CC2)s1 ZINC000516141004 391806424 /nfs/dbraw/zinc/80/64/24/391806424.db2.gz QAKPWVDOEYWHMF-UHFFFAOYSA-N -2 3 280.378 1.927 20 0 CDADHL CC(C)[C@H](C(=O)N=c1ccc([O-])n[n-]1)c1cccnc1 ZINC000439141102 392017631 /nfs/dbraw/zinc/01/76/31/392017631.db2.gz RHXYRKNCTADKMW-ZDUSSCGKSA-N -2 3 272.308 1.377 20 0 CDADHL O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1nc(=O)[n-][nH]1 ZINC000159307822 289332915 /nfs/dbraw/zinc/33/29/15/289332915.db2.gz RKXADEZZFHCHLD-UHFFFAOYSA-N -2 3 289.078 1.363 20 0 CDADHL CN(CC1CC1)S(=O)(=O)[N-]c1cc(F)ccc1[O-] ZINC000345685455 152913414 /nfs/dbraw/zinc/91/34/14/152913414.db2.gz ALYBKYQUGRLSSF-UHFFFAOYSA-N -2 3 274.317 1.530 20 0 CDADHL Cc1cc([N-]S(=O)(=O)C[C@H]2CCCO2)cc(C(=O)[O-])c1 ZINC000284954679 196164791 /nfs/dbraw/zinc/16/47/91/196164791.db2.gz CXJQOSHDEZJLQP-GFCCVEGCSA-N -2 3 299.348 1.614 20 0 CDADHL CCc1ccc([O-])c(C(=O)NCC2(C(=O)[O-])CCC2)c1 ZINC000659785017 414110845 /nfs/dbraw/zinc/11/08/45/414110845.db2.gz MHOJOCPVRZPMEX-UHFFFAOYSA-N -2 3 277.320 1.939 20 0 CDADHL CC1(C)C[C@@]1(C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000663445004 414255818 /nfs/dbraw/zinc/25/58/18/414255818.db2.gz KPXQRZVUHIPUOI-SNVBAGLBSA-N -2 3 290.366 1.308 20 0 CDADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc([O-])ccc1Cl ZINC000556078911 290252491 /nfs/dbraw/zinc/25/24/91/290252491.db2.gz BTHBVWSVROIKJJ-SECBINFHSA-N -2 3 295.726 1.287 20 0 CDADHL CC1(C)C[C@@H]1C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000572517254 294639478 /nfs/dbraw/zinc/63/94/78/294639478.db2.gz IFXHAWWJBZGYOY-ZCFIWIBFSA-N -2 3 290.366 1.166 20 0 CDADHL O=C(N=c1ccc([O-])n[n-]1)[C@@H]1COCC[C@@H]1c1ccccc1 ZINC000576925190 317231019 /nfs/dbraw/zinc/23/10/19/317231019.db2.gz CCTISNPIYLYRBD-CHWSQXEVSA-N -2 3 299.330 1.363 20 0 CDADHL CCc1cc(=O)[n-]c(CN(C)[C@@H](C)CC(=O)[O-])n1 ZINC000578787933 324027125 /nfs/dbraw/zinc/02/71/25/324027125.db2.gz DWRNZTDSNIFBJH-QMMMGPOBSA-N -2 3 253.302 1.040 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H]2CC23CCCCC3)c1 ZINC000584229608 327070062 /nfs/dbraw/zinc/07/00/62/327070062.db2.gz FCPWMNGPJYWJOB-JTQLQIEISA-N -2 3 299.348 1.979 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCC2CC2)o1 ZINC000088455063 482468541 /nfs/dbraw/zinc/46/85/41/482468541.db2.gz ASHVXJUTQGSMNF-UHFFFAOYSA-N -2 3 259.283 1.056 20 0 CDADHL C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)c1ccc2n[n-]nc2c1 ZINC000164607085 482507552 /nfs/dbraw/zinc/50/75/52/482507552.db2.gz KYBWGUYMXHPDHZ-RISCZKNCSA-N -2 3 288.307 1.331 20 0 CDADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]CC2CC2)c1 ZINC000184898888 524189124 /nfs/dbraw/zinc/18/91/24/524189124.db2.gz GLXMANQIOVUPIP-UHFFFAOYSA-N -2 3 287.312 1.521 20 0 CDADHL CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000736382777 575645162 /nfs/dbraw/zinc/64/51/62/575645162.db2.gz RRTQPHVWVRRUST-SCSAIBSYSA-N -2 3 295.221 1.054 20 0 CDADHL CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000736382777 575645164 /nfs/dbraw/zinc/64/51/64/575645164.db2.gz RRTQPHVWVRRUST-SCSAIBSYSA-N -2 3 295.221 1.054 20 0 CDADHL O=C([O-])c1coc(COC(=O)c2ccc([O-])cc2O)c1 ZINC000740271753 576455640 /nfs/dbraw/zinc/45/56/40/576455640.db2.gz RCACYMRKMCIROI-UHFFFAOYSA-N -2 3 278.216 1.746 20 0 CDADHL O=C([O-])[C@H](OC(=O)c1cncc([O-])c1)c1ccc(F)cc1 ZINC000740291653 576458197 /nfs/dbraw/zinc/45/81/97/576458197.db2.gz NFYBOOPFPXCFPB-GFCCVEGCSA-N -2 3 291.234 1.909 20 0 CDADHL Nc1ccc(C(=O)NC2(C(=O)[O-])CCCCC2)c([O-])c1 ZINC000763091455 576711996 /nfs/dbraw/zinc/71/19/96/576711996.db2.gz JUAJAIOGIWPZLP-UHFFFAOYSA-N -2 3 278.308 1.492 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)CCc1ccc(F)cc1F ZINC001601995654 1175105436 /nfs/dbraw/zinc/10/54/36/1175105436.db2.gz SIJIKAZWCYYAGA-UHFFFAOYSA-N -2 3 287.262 1.810 20 0 CDADHL CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(O)cc1[O-] ZINC000828638091 601134375 /nfs/dbraw/zinc/13/43/75/601134375.db2.gz FNFQJNLRLBWJQT-CYBMUJFWSA-N -2 3 267.281 1.471 20 0 CDADHL CC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1c(C)noc1C ZINC000828672216 601480750 /nfs/dbraw/zinc/48/07/50/601480750.db2.gz OQTAREWPMIJSCY-LLVKDONJSA-N -2 3 290.341 1.213 20 0 CDADHL Cc1cccc(C(=O)Nc2cc(C(=O)[O-])n(C)c2)c1[O-] ZINC000832963385 601760967 /nfs/dbraw/zinc/76/09/67/601760967.db2.gz QWRUIZJFUBNDIS-UHFFFAOYSA-N -2 3 274.276 1.990 20 0 CDADHL C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2occc2C(=O)[O-])C1 ZINC000903025368 625802567 /nfs/dbraw/zinc/80/25/67/625802567.db2.gz CKVSZVMMOBZRQD-JGVFFNPUSA-N -2 3 273.310 1.445 20 0 CDADHL O=C([O-])c1ccccc1CCC(=O)[N-]OC[C@@H]1CCOC1 ZINC000911803490 629533362 /nfs/dbraw/zinc/53/33/62/629533362.db2.gz RVKKGQPUXLFSTE-LLVKDONJSA-N -2 3 293.319 1.402 20 0 CDADHL CCCO[N-]C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC001604229744 1163129466 /nfs/dbraw/zinc/12/94/66/1163129466.db2.gz CVODJCHDOSUCMX-UHFFFAOYSA-N -2 3 293.352 1.417 20 0 CDADHL CCCO[N-]C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC001604229744 1163129471 /nfs/dbraw/zinc/12/94/71/1163129471.db2.gz CVODJCHDOSUCMX-UHFFFAOYSA-N -2 3 293.352 1.417 20 0 CDADHL CCS(=O)(=O)[N-]c1cc(C)c(C(=O)[O-])c(C)n1 ZINC001605727919 1163645977 /nfs/dbraw/zinc/64/59/77/1163645977.db2.gz SRMOLQCSFYJLTE-UHFFFAOYSA-N -2 3 258.299 1.158 20 0 CDADHL Cc1nc(N2CCc3ccc(C(=O)[O-])nc3C2)cc(=O)[n-]1 ZINC001607967915 1164355972 /nfs/dbraw/zinc/35/59/72/1164355972.db2.gz LJPQPRKKSYXPLO-UHFFFAOYSA-N -2 3 286.291 1.147 20 0 CDADHL O=C([O-])c1ccc(C(=O)Nc2cc(F)ccc2[O-])cn1 ZINC001608502421 1164529427 /nfs/dbraw/zinc/52/94/27/1164529427.db2.gz QUTBPQSXDMBVOD-UHFFFAOYSA-N -2 3 276.223 1.877 20 0 CDADHL O=C([O-])Cc1cccc(NC([O-])=NO[C@@H]2CCCCO2)n1 ZINC001608786786 1164637127 /nfs/dbraw/zinc/63/71/27/1164637127.db2.gz PTUMGWCCDRMYTH-GFCCVEGCSA-N -2 3 295.295 1.288 20 0 CDADHL O=C([O-])c1cnc(SCCc2nnn[n-]2)c(Cl)c1 ZINC001608979047 1164702393 /nfs/dbraw/zinc/70/23/93/1164702393.db2.gz GXEAWMNDDNGODE-UHFFFAOYSA-N -2 3 285.716 1.281 20 0 CDADHL O=C([O-])c1cnc(SCCc2nn[n-]n2)c(Cl)c1 ZINC001608979047 1164702400 /nfs/dbraw/zinc/70/24/00/1164702400.db2.gz GXEAWMNDDNGODE-UHFFFAOYSA-N -2 3 285.716 1.281 20 0 CDADHL CC(C)c1cc(=O)n(Cc2ccc(-c3nn[n-]n3)cc2)[n-]1 ZINC001589499269 1173151610 /nfs/dbraw/zinc/15/16/10/1173151610.db2.gz KUURLDQTGGNZNN-UHFFFAOYSA-N -2 3 284.323 1.611 20 0 CDADHL O=C([O-])[C@H](CNc1ccc(-c2nnn[n-]2)nc1)C1CCC1 ZINC001593276035 1174047300 /nfs/dbraw/zinc/04/73/00/1174047300.db2.gz IWUQTAVHZPMZFX-SNVBAGLBSA-N -2 3 288.311 1.175 20 0 CDADHL O=C([O-])[C@H](CNc1ccc(-c2nn[n-]n2)nc1)C1CCC1 ZINC001593276035 1174047303 /nfs/dbraw/zinc/04/73/03/1174047303.db2.gz IWUQTAVHZPMZFX-SNVBAGLBSA-N -2 3 288.311 1.175 20 0 CDADHL CC(=O)[C@@H]1C[C@H](CC(=O)[N-]OCCCC(=O)[O-])C1(C)C ZINC001603088296 1175489539 /nfs/dbraw/zinc/48/95/39/1175489539.db2.gz IOKMHQJDDQFEOU-MNOVXSKESA-N -2 3 285.340 1.540 20 0 CDADHL CC[C@H](CNc1nc(C)cc(C)c1-c1nn[n-]n1)C(=O)[O-] ZINC001604040676 1175731391 /nfs/dbraw/zinc/73/13/91/1175731391.db2.gz UDUKSSHRJCVSAU-SECBINFHSA-N -2 3 290.327 1.401 20 0 CDADHL O=C([O-])c1cc(NCc2ccc([O-])c(F)c2)ncn1 ZINC001608857147 1164664511 /nfs/dbraw/zinc/66/45/11/1164664511.db2.gz ORMQKNAGNQPYLJ-UHFFFAOYSA-N -2 3 263.228 1.632 20 0 CDADHL Cc1c(C(=O)[O-])csc1NC(=O)c1cnn[n-]1 ZINC001610412701 1165311453 /nfs/dbraw/zinc/31/14/53/1165311453.db2.gz VTMTZXAGYQYTHJ-UHFFFAOYSA-N -2 3 252.255 1.125 20 0 CDADHL Cc1c(C(=O)[O-])csc1NC(=O)c1c[n-]nn1 ZINC001610412701 1165311457 /nfs/dbraw/zinc/31/14/57/1165311457.db2.gz VTMTZXAGYQYTHJ-UHFFFAOYSA-N -2 3 252.255 1.125 20 0 CDADHL Cc1c(C(=O)[O-])csc1NC(=O)c1cn[n-]n1 ZINC001610412701 1165311464 /nfs/dbraw/zinc/31/14/64/1165311464.db2.gz VTMTZXAGYQYTHJ-UHFFFAOYSA-N -2 3 252.255 1.125 20 0 CDADHL CCOCCO[N-]C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000775238435 756083447 /nfs/dbraw/zinc/08/34/47/756083447.db2.gz JOGHEKPQGGVVMI-UHFFFAOYSA-N -2 3 297.355 1.486 20 0 CDADHL COc1cc[n-]c(=NNC(=O)c2cc(Cl)ccc2[O-])n1 ZINC000047493240 756147962 /nfs/dbraw/zinc/14/79/62/756147962.db2.gz XTGQIPHIXZJZCT-UHFFFAOYSA-N -2 3 294.698 1.601 20 0 CDADHL Cc1[n-][nH]c2ncnc(=NC(=O)c3c(C)cccc3[O-])c1-2 ZINC001188638054 921138680 /nfs/dbraw/zinc/13/86/80/921138680.db2.gz HHCWREJHBDWVOA-UHFFFAOYSA-N -2 3 283.291 1.301 20 0 CDADHL O=P([O-])([O-])OCCNc1c[nH]cc2ccnc1-2 ZINC001168591331 919353728 /nfs/dbraw/zinc/35/37/28/919353728.db2.gz PPSGFOFFHFKMOL-UHFFFAOYSA-N -2 3 257.186 1.084 20 0 CDADHL O=S(=O)([N-]c1cncc([O-])c1)c1ccc(Cl)cn1 ZINC001196204559 924840125 /nfs/dbraw/zinc/84/01/25/924840125.db2.gz XPMGCYAVXLAEGP-UHFFFAOYSA-N -2 3 285.712 1.636 20 0 CDADHL COc1ccccc1NC(=S)NCCP(=O)([O-])[O-] ZINC001196270534 924856530 /nfs/dbraw/zinc/85/65/30/924856530.db2.gz VKHQSYMBYJDCBE-UHFFFAOYSA-N -2 3 290.281 1.159 20 0 CDADHL O=S(=O)([O-])c1cccc(-c2ccc([O-])cc2F)n1 ZINC001206037731 939970031 /nfs/dbraw/zinc/97/00/31/939970031.db2.gz NDHVIGZTYMPAGV-UHFFFAOYSA-N -2 3 269.253 1.840 20 0 CDADHL Cc1c(Nc2c(N)[nH]c(=O)[n-]c2=O)cccc1C(=O)[O-] ZINC001216656947 940957644 /nfs/dbraw/zinc/95/76/44/940957644.db2.gz MLQAMYGBTQHJBH-UHFFFAOYSA-N -2 3 276.252 1.220 20 0 CDADHL O=P([O-])([O-])CCO[C@@H]1CCc2ccccc2C1 ZINC001224603119 941773830 /nfs/dbraw/zinc/77/38/30/941773830.db2.gz VLLKPBAHGKPDIW-GFCCVEGCSA-N -2 3 256.238 1.738 20 0 CDADHL O=P([O-])([O-])CCCCOCCOC1CCCC1 ZINC001225019011 941814935 /nfs/dbraw/zinc/81/49/35/941814935.db2.gz ONUSUJNCLVNBNK-UHFFFAOYSA-N -2 3 266.274 1.920 20 0 CDADHL COC(=O)[C@@H](OCCCCP(=O)([O-])[O-])C(F)(F)F ZINC001225021383 941815069 /nfs/dbraw/zinc/81/50/69/941815069.db2.gz GOUVQGNPKAIRKI-ZCFIWIBFSA-N -2 3 294.162 1.065 20 0 CDADHL COc1cc(-c2nc([C@@H](C)C(=O)[O-])no2)cc(OC)c1[O-] ZINC001611024041 970854771 /nfs/dbraw/zinc/85/47/71/970854771.db2.gz QESUQJMBSDNMLG-ZCFIWIBFSA-N -2 3 294.263 1.648 20 0 CDADHL CC1(C)OC[C@H](CCOc2nc3ncnc-3c([S-])[n-]2)O1 ZINC001226779968 942068806 /nfs/dbraw/zinc/06/88/06/942068806.db2.gz BDXBBXRTMRUWKC-ZETCQYMHSA-N -2 3 296.352 1.562 20 0 CDADHL O=C(/C=C\c1ccc(C(=O)[O-])o1)[N-]OCc1cccnc1 ZINC001601236272 970959574 /nfs/dbraw/zinc/95/95/74/970959574.db2.gz OBEFYLNCOUGYJD-XQRVVYSFSA-N -2 3 288.259 1.634 20 0 CDADHL C[C@@H](NC(=S)NCCP(=O)([O-])[O-])c1ccccc1 ZINC001245541027 947735683 /nfs/dbraw/zinc/73/56/83/947735683.db2.gz YXACUGDMRJBHAR-SECBINFHSA-N -2 3 288.309 1.389 20 0 CDADHL CO[C@@H](C(=O)[O-])C(=O)Nc1cc(Cl)ccc1[O-] ZINC001593912489 955980229 /nfs/dbraw/zinc/98/02/29/955980229.db2.gz ILCZZNWBZNHGDW-MRVPVSSYSA-N -2 3 259.645 1.084 20 0 CDADHL CC(C)([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000040910736 957380778 /nfs/dbraw/zinc/38/07/78/957380778.db2.gz VZYDKAYDHAJLOS-UHFFFAOYSA-N -2 3 295.719 1.621 20 0 CDADHL Cc1cc(C(F)(F)C(=O)[N-][C@@H](C)C(=O)[O-])cnc1Cl ZINC001594290097 957825228 /nfs/dbraw/zinc/82/52/28/957825228.db2.gz QVFJESJEFPFBNL-LURJTMIESA-N -2 3 292.669 1.725 20 0 CDADHL C[C@H](C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])C(C)(C)C ZINC000125229879 958557359 /nfs/dbraw/zinc/55/73/59/958557359.db2.gz YMPYZMBTCISEAU-SSDOTTSWSA-N -2 3 289.357 1.068 20 0 CDADHL CC(C)C[C@@H](CNC(=O)c1cccc(O)c1[O-])C(=O)[O-] ZINC000126065526 958579585 /nfs/dbraw/zinc/57/95/85/958579585.db2.gz ANCGYVUUYQNEJC-VIFPVBQESA-N -2 3 281.308 1.575 20 0 CDADHL CCOc1cc(C(=O)N(C)c2nnn[n-]2)cc(Cl)c1[O-] ZINC001434232064 961103779 /nfs/dbraw/zinc/10/37/79/961103779.db2.gz OCSSRUJYCCLOTE-UHFFFAOYSA-N -2 3 297.702 1.234 20 0 CDADHL CCOc1cc(C(=O)N(C)c2nn[n-]n2)cc(Cl)c1[O-] ZINC001434232064 961103788 /nfs/dbraw/zinc/10/37/88/961103788.db2.gz OCSSRUJYCCLOTE-UHFFFAOYSA-N -2 3 297.702 1.234 20 0 CDADHL Cc1ccoc1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000311576141 963492650 /nfs/dbraw/zinc/49/26/50/963492650.db2.gz VVPAQWFEIVKDGF-UHFFFAOYSA-N -2 3 285.277 1.358 20 0 CDADHL CN(Cc1n[n-]c(=O)o1)C(=O)c1cc([O-])c2ccccc2c1 ZINC001558996280 965387426 /nfs/dbraw/zinc/38/74/26/965387426.db2.gz CPYIWKFKBCVHGS-UHFFFAOYSA-N -2 3 299.286 1.906 20 0 CDADHL O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000405215714 973787926 /nfs/dbraw/zinc/78/79/26/973787926.db2.gz NGYVRPLBBUZTSB-GZMMTYOYSA-N -2 3 279.292 1.471 20 0 CDADHL Cc1ccoc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694174223 976676582 /nfs/dbraw/zinc/67/65/82/976676582.db2.gz ZBPSFVQHVAECFI-UHFFFAOYSA-N -2 3 285.277 1.358 20 0 CDADHL O=C([O-])C1=CC[C@H](NC(=O)c2ccc(O)cc2[O-])C1 ZINC000694986481 976763979 /nfs/dbraw/zinc/76/39/79/976763979.db2.gz MTOKONVVVOQABM-QMMMGPOBSA-N -2 3 263.249 1.001 20 0 CDADHL CCC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001596010672 983270890 /nfs/dbraw/zinc/27/08/90/983270890.db2.gz AMHUETVHQVTZFT-VXNVDRBHSA-N -2 3 273.310 1.445 20 0 CDADHL CCc1ccc(C(=O)N2CCC[C@@H]2C(=O)[O-])c([O-])c1 ZINC001597498846 988048786 /nfs/dbraw/zinc/04/87/86/988048786.db2.gz PQUCFVQANNECOQ-LLVKDONJSA-N -2 3 263.293 1.644 20 0 CDADHL CCc1ccc([O-])c(C(=O)Nc2cc(C(=O)[O-])n(C)n2)c1 ZINC001597556907 988292692 /nfs/dbraw/zinc/29/26/92/988292692.db2.gz ZTOQAVVXEDCIJZ-UHFFFAOYSA-N -2 3 289.291 1.639 20 0 CDADHL CC(C)=CCC[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001590921815 990914296 /nfs/dbraw/zinc/91/42/96/990914296.db2.gz WLHOPZVCFSMDFD-UHFFFAOYSA-N -2 3 273.310 1.612 20 0 CDADHL COC(=O)c1ccc(C(=O)Nc2sccc2C(=O)[O-])[n-]1 ZINC001598960185 998314014 /nfs/dbraw/zinc/31/40/14/998314014.db2.gz DMGIGOUVBZBRJC-UHFFFAOYSA-N -2 3 294.288 1.813 20 0 CDADHL CC(C)C[C@](C)(CNC(=O)c1c([O-])cccc1O)C(=O)[O-] ZINC001573492478 1170673059 /nfs/dbraw/zinc/67/30/59/1170673059.db2.gz SDZCFLRDXMNFLT-OAHLLOKOSA-N -2 3 295.335 1.965 20 0 CDADHL O=C([O-])[C@@H](CNC(=O)c1ccc2n[n-]nc2c1)CC1CC1 ZINC000405341932 349783206 /nfs/dbraw/zinc/78/32/06/349783206.db2.gz DGPLCNAWEYDRAX-SNVBAGLBSA-N -2 3 288.307 1.189 20 0 CDADHL CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1OC ZINC000312083939 350746125 /nfs/dbraw/zinc/74/61/25/350746125.db2.gz VLCPRIJWJLZYCO-UHFFFAOYSA-N -2 3 291.300 1.221 20 0 CDADHL Cc1ccc(C(=O)N(C)C[C@H](C)c2nnn[n-]2)c([O-])c1 ZINC000156561125 188269429 /nfs/dbraw/zinc/26/94/29/188269429.db2.gz XFGDIUISCFUHRV-VIFPVBQESA-N -2 3 275.312 1.089 20 0 CDADHL Cc1ccc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)c([O-])c1 ZINC000156561125 188269430 /nfs/dbraw/zinc/26/94/30/188269430.db2.gz XFGDIUISCFUHRV-VIFPVBQESA-N -2 3 275.312 1.089 20 0 CDADHL O=C([O-])c1cccc(NC(=O)c2ccc3n[n-]nc3c2)c1 ZINC000036978152 356300189 /nfs/dbraw/zinc/30/01/89/356300189.db2.gz MRFIGDUGCRNGRR-UHFFFAOYSA-N -2 3 282.259 1.908 20 0 CDADHL CC[C@@H](C)c1cc(=O)n(-c2cn[n-]c(=O)c2Cl)[n-]1 ZINC000634587306 356466269 /nfs/dbraw/zinc/46/62/69/356466269.db2.gz KMHAXRHDYBKLGS-ZCFIWIBFSA-N -2 3 268.704 1.974 20 0 CDADHL C[C@@H](CNCc1cccc([O-])c1Br)C(=O)[O-] ZINC000656095377 482761761 /nfs/dbraw/zinc/76/17/61/482761761.db2.gz CDRZESDDWPLLEN-ZETCQYMHSA-N -2 3 288.141 1.965 20 0 CDADHL COc1ccc([O-])c(C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)c1 ZINC000092919646 357748481 /nfs/dbraw/zinc/74/84/81/357748481.db2.gz RTFKTZQXUGFJSV-SCZZXKLOSA-N -2 3 279.292 1.336 20 0 CDADHL CO[C@@H](C)CS(=O)(=O)[N-]c1cc(Cl)ccc1[O-] ZINC000193119297 358266966 /nfs/dbraw/zinc/26/69/66/358266966.db2.gz GZXMBRXQYGULDN-ZETCQYMHSA-N -2 3 279.745 1.822 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C2CCC2)c1 ZINC000572360271 359148451 /nfs/dbraw/zinc/14/84/51/359148451.db2.gz PFWHUQABGWHFSA-ONGXEEELSA-N -2 3 299.348 1.692 20 0 CDADHL O=C([O-])[C@H]1CCCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000263180035 359239843 /nfs/dbraw/zinc/23/98/43/359239843.db2.gz FDRNRFULGRQAHY-JTQLQIEISA-N -2 3 296.298 1.538 20 0 CDADHL C[C@@H](CC(=O)[O-])CC(=O)Nc1cc(F)ccc1[O-] ZINC000634823872 359401275 /nfs/dbraw/zinc/40/12/75/359401275.db2.gz FRHTWPVJDYDMRH-SSDOTTSWSA-N -2 3 255.245 1.971 20 0 CDADHL CC(C)(CC[N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000424394781 360036472 /nfs/dbraw/zinc/03/64/72/360036472.db2.gz UBXKNXOTTZHNHX-UHFFFAOYSA-N -2 3 261.299 1.059 20 0 CDADHL COc1ccc([O-])c([N-]S(=O)(=O)C[C@H](C)OC)c1 ZINC000337752566 360402866 /nfs/dbraw/zinc/40/28/66/360402866.db2.gz JYRMCOQJBUBQOR-QMMMGPOBSA-N -2 3 275.326 1.177 20 0 CDADHL Cc1cccc(S(=O)(=O)[N-][C@H]2C=C[C@H](C(=O)[O-])C2)c1F ZINC000274965368 239069463 /nfs/dbraw/zinc/06/94/63/239069463.db2.gz IDRHENHCAYHDRB-UWVGGRQHSA-N -2 3 299.323 1.442 20 0 CDADHL CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000566913383 370838852 /nfs/dbraw/zinc/83/88/52/370838852.db2.gz VEBMKRFYWYGXQQ-BQBZGAKWSA-N -2 3 292.382 1.554 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CC[C@@H](C)[C@H](C(=O)[O-])C2)n1 ZINC000567856066 371173711 /nfs/dbraw/zinc/17/37/11/371173711.db2.gz BFGKKZTXPQWBNF-MWLCHTKSSA-N -2 3 279.340 1.287 20 0 CDADHL CC(C)[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cccs1 ZINC000578235355 372361760 /nfs/dbraw/zinc/36/17/60/372361760.db2.gz YVQKOUCUPBBUEV-LLVKDONJSA-N -2 3 291.394 1.916 20 0 CDADHL COc1ccc(C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])c([O-])c1 ZINC000132720944 375577841 /nfs/dbraw/zinc/57/78/41/375577841.db2.gz ZMWZFHNJJLLICN-SFYZADRCSA-N -2 3 267.281 1.240 20 0 CDADHL CCCC[C@@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)C(=O)[O-] ZINC000647230031 390918429 /nfs/dbraw/zinc/91/84/29/390918429.db2.gz OFBGFSIKPCUPOO-GFCCVEGCSA-N -2 3 293.319 1.968 20 0 CDADHL CC(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000649459267 397734684 /nfs/dbraw/zinc/73/46/84/397734684.db2.gz XQFFIJCUNDNANV-SNVBAGLBSA-N -2 3 289.295 1.162 20 0 CDADHL CC(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000649459267 397734687 /nfs/dbraw/zinc/73/46/87/397734687.db2.gz XQFFIJCUNDNANV-SNVBAGLBSA-N -2 3 289.295 1.162 20 0 CDADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(O)c2)c1 ZINC000342645866 151879563 /nfs/dbraw/zinc/87/95/63/151879563.db2.gz ZXDJNUIKFDHLGS-UHFFFAOYSA-N -2 3 295.316 1.907 20 0 CDADHL O=C(Nc1cc(F)cc(Cl)c1[O-])c1nc[n-]n1 ZINC000353885042 156142787 /nfs/dbraw/zinc/14/27/87/156142787.db2.gz BHQQMQKUKYASMU-UHFFFAOYSA-N -2 3 256.624 1.555 20 0 CDADHL O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1cccc([O-])c1 ZINC000022145554 171356275 /nfs/dbraw/zinc/35/62/75/171356275.db2.gz WLACRQSLQIYUBE-AWEZNQCLSA-N -2 3 285.299 1.818 20 0 CDADHL CC[C@H](C)CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000656715931 413595236 /nfs/dbraw/zinc/59/52/36/413595236.db2.gz BORSTDYUAGIFDQ-QMMMGPOBSA-N -2 3 275.326 1.692 20 0 CDADHL C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000037254946 173066280 /nfs/dbraw/zinc/06/62/80/173066280.db2.gz QZFNRAKBUYYAAH-DTWKUNHWSA-N -2 3 287.337 1.835 20 0 CDADHL Cc1ccc([O-])c(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)c1 ZINC000037366209 173155534 /nfs/dbraw/zinc/15/55/34/173155534.db2.gz YZZGHWIJJZDLHO-CQSZACIVSA-N -2 3 263.293 1.684 20 0 CDADHL C[C@@]([N-]S(=O)(=O)c1ccccc1F)(C(=O)[O-])C1CC1 ZINC000037367389 173156489 /nfs/dbraw/zinc/15/64/89/173156489.db2.gz ZRPCRNMJVDOWAM-LBPRGKRZSA-N -2 3 287.312 1.357 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]CC2(C3CC3)CC2)oc1C(=O)[O-] ZINC000663424057 414245925 /nfs/dbraw/zinc/24/59/25/414245925.db2.gz HVNYUKHUQZMZSO-UHFFFAOYSA-N -2 3 299.348 1.755 20 0 CDADHL COc1ccc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])c([O-])c1 ZINC000038026047 174011083 /nfs/dbraw/zinc/01/10/83/174011083.db2.gz FJIDWBWWGIIWLD-SNVBAGLBSA-N -2 3 293.319 1.870 20 0 CDADHL COC1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2[O-])CC1 ZINC000040573554 174339576 /nfs/dbraw/zinc/33/95/76/174339576.db2.gz FUAZIGXOYZLLJU-UHFFFAOYSA-N -2 3 294.307 1.733 20 0 CDADHL COc1cc(OC)cc(-c2noc([N-][C@H](C)C(=O)[O-])n2)c1 ZINC000662878472 424538755 /nfs/dbraw/zinc/53/87/55/424538755.db2.gz SYRLSQORVIULSH-SSDOTTSWSA-N -2 3 293.279 1.639 20 0 CDADHL CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000570916833 294331644 /nfs/dbraw/zinc/33/16/44/294331644.db2.gz PZESLGGDWLSFPS-UWVGGRQHSA-N -2 3 289.353 1.837 20 0 CDADHL O=C(N=c1ccc([O-])n[n-]1)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000361956897 303706697 /nfs/dbraw/zinc/70/66/97/303706697.db2.gz HDVFSQHUOIMCBF-QWRGUYRKSA-N -2 3 273.267 1.485 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]C[C@H](C(=O)[O-])C(C)C)o1 ZINC000582731269 325034005 /nfs/dbraw/zinc/03/40/05/325034005.db2.gz YNECYSLODRWKQX-VIFPVBQESA-N -2 3 275.326 1.223 20 0 CDADHL CCn1c(=O)[n-]nc1SCc1cc(C(=O)[O-])ccc1F ZINC000062767205 523093888 /nfs/dbraw/zinc/09/38/88/523093888.db2.gz KXNWSLFMPHNEPB-UHFFFAOYSA-N -2 3 297.311 1.721 20 0 CDADHL CSCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000069440402 525479856 /nfs/dbraw/zinc/47/98/56/525479856.db2.gz FTVCRXRSHBFQSC-UHFFFAOYSA-N -2 3 295.407 1.478 20 0 CDADHL CCCS(=O)(=O)[N-]c1c(F)c(OC)ccc1C(=O)[O-] ZINC000287483872 528813897 /nfs/dbraw/zinc/81/38/97/528813897.db2.gz KHUPBAXASSRCGW-UHFFFAOYSA-N -2 3 291.300 1.684 20 0 CDADHL O=C(NCCc1n[n-]c(=S)o1)c1ccccc1[O-] ZINC000773104520 575783336 /nfs/dbraw/zinc/78/33/36/575783336.db2.gz HIMFDDSOSJGRMX-UHFFFAOYSA-N -2 3 265.294 1.036 20 0 CDADHL O=C(Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1[O-] ZINC000738165020 576045784 /nfs/dbraw/zinc/04/57/84/576045784.db2.gz CFXLUKVHJRVNQR-UHFFFAOYSA-N -2 3 299.265 1.964 20 0 CDADHL O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1[O-] ZINC000738165020 576045785 /nfs/dbraw/zinc/04/57/85/576045785.db2.gz CFXLUKVHJRVNQR-UHFFFAOYSA-N -2 3 299.265 1.964 20 0 CDADHL O=C([O-])CCCOc1ccc(NC(=O)c2cnn[n-]2)cc1 ZINC000739686876 576279339 /nfs/dbraw/zinc/27/93/39/576279339.db2.gz WPAMPIYDPFCWEY-UHFFFAOYSA-N -2 3 290.279 1.301 20 0 CDADHL O=C([O-])CCCOc1ccc(NC(=O)c2c[n-]nn2)cc1 ZINC000739686876 576279341 /nfs/dbraw/zinc/27/93/41/576279341.db2.gz WPAMPIYDPFCWEY-UHFFFAOYSA-N -2 3 290.279 1.301 20 0 CDADHL O=C([O-])CCCOc1ccc(NC(=O)c2cn[n-]n2)cc1 ZINC000739686876 576279343 /nfs/dbraw/zinc/27/93/43/576279343.db2.gz WPAMPIYDPFCWEY-UHFFFAOYSA-N -2 3 290.279 1.301 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)C1(C2CCC2)CCC1 ZINC001601994822 1175103925 /nfs/dbraw/zinc/10/39/25/1175103925.db2.gz MDHMAHXFVIDUKP-UHFFFAOYSA-N -2 3 255.314 1.869 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)C[C@@H]1OCCc2ccccc21 ZINC001601995743 1175105426 /nfs/dbraw/zinc/10/54/26/1175105426.db2.gz UMTNWPKOSGSNAC-ZDUSSCGKSA-N -2 3 293.319 1.603 20 0 CDADHL O=C([O-])c1cc([N-]C(=O)c2cc(C3CC3)no2)on1 ZINC001602284949 1175192916 /nfs/dbraw/zinc/19/29/16/1175192916.db2.gz RCNJDTCXOSFBIR-UHFFFAOYSA-N -2 3 263.209 1.491 20 0 CDADHL CCc1cccc(C(=O)N(CCOC)CC(=O)[O-])c1[O-] ZINC000820485754 598143239 /nfs/dbraw/zinc/14/32/39/598143239.db2.gz MIEXTIAGVLNXAW-UHFFFAOYSA-N -2 3 281.308 1.128 20 0 CDADHL CC(C)([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000097895329 599981187 /nfs/dbraw/zinc/98/11/87/599981187.db2.gz WSZZJIZWKALOQS-UHFFFAOYSA-N -2 3 295.719 1.621 20 0 CDADHL O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccncc2[O-])C1 ZINC000833188590 601210999 /nfs/dbraw/zinc/21/09/99/601210999.db2.gz ZPBRLTYHNQURTA-IUCAKERBSA-N -2 3 264.281 1.039 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C2(C3CC3)CC2)o1 ZINC000697382642 602174144 /nfs/dbraw/zinc/17/41/44/602174144.db2.gz QOHDJPAFXJABCT-UHFFFAOYSA-N -2 3 271.294 1.199 20 0 CDADHL COC[C@@](C)(NC(=O)c1ccc(C(C)C)cc1[O-])C(=O)[O-] ZINC000833722066 604730673 /nfs/dbraw/zinc/73/06/73/604730673.db2.gz YOEOITQMMFASDO-OAHLLOKOSA-N -2 3 295.335 1.735 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@H]2CCCN(C(=O)[O-])C2)o1 ZINC000833751243 605009953 /nfs/dbraw/zinc/00/99/53/605009953.db2.gz FHFXIKQIBOHLHI-VIFPVBQESA-N -2 3 288.325 1.009 20 0 CDADHL O=C([O-])c1cccc(CNC(=O)c2cccc3n[n-]nc32)c1 ZINC000833783400 605763642 /nfs/dbraw/zinc/76/36/42/605763642.db2.gz CNFQEHCEPATJLJ-UHFFFAOYSA-N -2 3 296.286 1.586 20 0 CDADHL CCO[N-]C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000821390260 606988645 /nfs/dbraw/zinc/98/86/45/606988645.db2.gz VZCPGQFACYOTRH-UHFFFAOYSA-N -2 3 291.311 1.092 20 0 CDADHL C[C@@H](CNC(=O)Cc1ccc([O-])c(F)c1)CC(=O)[O-] ZINC000909487530 619390475 /nfs/dbraw/zinc/39/04/75/619390475.db2.gz XXGUFTCRHKACSI-MRVPVSSYSA-N -2 3 269.272 1.301 20 0 CDADHL O=C([N-]OC/C=C\Cl)c1cnc(C2CC2)[n-]c1=O ZINC000908315056 628119092 /nfs/dbraw/zinc/11/90/92/628119092.db2.gz YCINMFQQKGHVJB-RJRFIUFISA-N -2 3 269.688 1.474 20 0 CDADHL CC(C)(CCC(=O)[O-])NC(=O)Cc1ccc([O-])c(F)c1 ZINC000908948404 628428697 /nfs/dbraw/zinc/42/86/97/628428697.db2.gz QXRGYUZAFSGVQW-UHFFFAOYSA-N -2 3 283.299 1.833 20 0 CDADHL O=C([O-])[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)C1CC1 ZINC000909042686 628478331 /nfs/dbraw/zinc/47/83/31/628478331.db2.gz WNNFRPXLLXHJLJ-CQSZACIVSA-N -2 3 295.310 1.833 20 0 CDADHL C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC001604633117 1163256645 /nfs/dbraw/zinc/25/66/45/1163256645.db2.gz HUFVRJKZGLAZJY-WPRPVWTQSA-N -2 3 296.298 1.536 20 0 CDADHL CC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(C)o1 ZINC001604905878 1163375538 /nfs/dbraw/zinc/37/55/38/1163375538.db2.gz OSEPOHJMBCQQEV-NSHDSACASA-N -2 3 275.326 1.510 20 0 CDADHL CCc1ccc(C(=O)NCC(C)(C)C(=O)[O-])c([O-])c1 ZINC001605804886 1163677415 /nfs/dbraw/zinc/67/74/15/1163677415.db2.gz PRPAJPRTKFGQFM-UHFFFAOYSA-N -2 3 265.309 1.795 20 0 CDADHL CN(C)c1cccc(CCC(=O)[N-]OCCCC(=O)[O-])c1 ZINC001606059781 1163758048 /nfs/dbraw/zinc/75/80/48/1163758048.db2.gz OIFKGACSLLIACQ-UHFFFAOYSA-N -2 3 294.351 1.598 20 0 CDADHL O=C([O-])c1nsc([N-]C(=O)c2cc(F)ccc2F)n1 ZINC001609004627 1164718924 /nfs/dbraw/zinc/71/89/24/1164718924.db2.gz PMSKEEQWECXYGB-UHFFFAOYSA-N -2 3 285.231 1.767 20 0 CDADHL CCOc1cccc(F)c1CNC[C@@H](CC(=O)[O-])C(=O)[O-] ZINC001647414400 1168665838 /nfs/dbraw/zinc/66/58/38/1168665838.db2.gz QGAQWJBHCDYZFT-SECBINFHSA-N -2 3 299.298 1.490 20 0 CDADHL Cc1cc(=O)[n-]c(CN[C@H](C(=O)[O-])c2cccc(O)c2)n1 ZINC001574145270 1170896133 /nfs/dbraw/zinc/89/61/33/1170896133.db2.gz ZXEMDVOGCBNLCC-ZDUSSCGKSA-N -2 3 289.291 1.112 20 0 CDADHL CC[C@H](C)[C@H](Nc1cc(-c2nnn[n-]2)cc(C)n1)C(=O)[O-] ZINC001590867642 1173533246 /nfs/dbraw/zinc/53/32/46/1173533246.db2.gz KPFZQGGBTZJOPM-CPCISQLKSA-N -2 3 290.327 1.481 20 0 CDADHL CC[C@H](C)[C@H](Nc1cc(-c2nn[n-]n2)cc(C)n1)C(=O)[O-] ZINC001590867642 1173533251 /nfs/dbraw/zinc/53/32/51/1173533251.db2.gz KPFZQGGBTZJOPM-CPCISQLKSA-N -2 3 290.327 1.481 20 0 CDADHL Cc1noc(C)c1[N-]C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001592459322 1173896531 /nfs/dbraw/zinc/89/65/31/1173896531.db2.gz DQKYOJWDJFEPEU-UHFFFAOYSA-N -2 3 274.240 1.317 20 0 CDADHL O=C([O-])[C@@H]1CCC[C@H](C(=O)NCc2ncccc2[O-])C1 ZINC001601803845 1175014813 /nfs/dbraw/zinc/01/48/13/1175014813.db2.gz UCPDOUCFVFHWEV-VHSXEESVSA-N -2 3 278.308 1.294 20 0 CDADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H]1CC12CCC2 ZINC001602587594 1175309936 /nfs/dbraw/zinc/30/99/36/1175309936.db2.gz YYVHOQOGPIDWLA-SSDOTTSWSA-N -2 3 288.350 1.062 20 0 CDADHL O=C([O-])c1cccc(COC(=O)c2ccc([O-])cc2)n1 ZINC001602617185 1175325731 /nfs/dbraw/zinc/32/57/31/1175325731.db2.gz ZLZULFMZHYRNLG-UHFFFAOYSA-N -2 3 273.244 1.842 20 0 CDADHL CC(C)(CNc1cccc(-c2nnn[n-]2)n1)CC(=O)[O-] ZINC001603151948 1175501767 /nfs/dbraw/zinc/50/17/67/1175501767.db2.gz UGRLKOAPTOGEHA-UHFFFAOYSA-N -2 3 276.300 1.175 20 0 CDADHL O=C([O-])CC[C@@H](CC1CCCCC1)NC(=O)c1cn[n-]n1 ZINC001610765823 1165434458 /nfs/dbraw/zinc/43/44/58/1165434458.db2.gz STPMYEFJMFBHGP-NSHDSACASA-N -2 3 294.355 1.738 20 0 CDADHL CC(=O)c1ccc(C(=O)NCCCC(=O)[O-])cc1[O-] ZINC000842710116 768971671 /nfs/dbraw/zinc/97/16/71/768971671.db2.gz KIHNKEDLHDEZPU-UHFFFAOYSA-N -2 3 265.265 1.189 20 0 CDADHL Cc1ccc(C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])c([O-])c1 ZINC000923146958 769244125 /nfs/dbraw/zinc/24/41/25/769244125.db2.gz PUBSXHXGBWHKHK-BMIGLBTASA-N -2 3 275.304 1.780 20 0 CDADHL CCCCC[C@H]([N-]S(=O)(=O)c1ccc(C)o1)C(=O)[O-] ZINC000829932555 769871293 /nfs/dbraw/zinc/87/12/93/769871293.db2.gz KOZHXTJGQWKEPB-JTQLQIEISA-N -2 3 289.353 1.900 20 0 CDADHL C[C@H](CC[N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000129272243 770758199 /nfs/dbraw/zinc/75/81/99/770758199.db2.gz YRYBNFVWRDYLBL-SSDOTTSWSA-N -2 3 293.291 1.354 20 0 CDADHL Cc1nc(C=Cc2ccc(F)nc2)[n-]c(=O)c1CC(=O)[O-] ZINC000794713309 770816068 /nfs/dbraw/zinc/81/60/68/770816068.db2.gz MSEXFGPIBVTHHH-HYXAFXHYSA-N -2 3 289.266 1.822 20 0 CDADHL C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871993370 771190270 /nfs/dbraw/zinc/19/02/70/771190270.db2.gz MFORKNYIZLFXPJ-WPRPVWTQSA-N -2 3 287.337 1.835 20 0 CDADHL O=C([O-])[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000715335995 771250447 /nfs/dbraw/zinc/25/04/47/771250447.db2.gz UTVHZSADTQPLLS-PHDIDXHHSA-N -2 3 295.769 1.401 20 0 CDADHL CCC[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000780687125 772010030 /nfs/dbraw/zinc/01/00/30/772010030.db2.gz VJPPTDNETBCIOD-SNVBAGLBSA-N -2 3 284.287 1.584 20 0 CDADHL C[C@@H]1CN(C(=O)c2ccccc2[O-])CC[C@@H]1C(=O)[O-] ZINC000306001651 772310196 /nfs/dbraw/zinc/31/01/96/772310196.db2.gz GTLFMSFOWULONN-ZJUUUORDSA-N -2 3 263.293 1.575 20 0 CDADHL Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)c([O-])c1 ZINC000722443074 772356291 /nfs/dbraw/zinc/35/62/91/772356291.db2.gz HMMLDSSNQYPIGW-GHMZBOCLSA-N -2 3 277.320 1.883 20 0 CDADHL CC(C)NC(=O)[N-][N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000049463460 772366500 /nfs/dbraw/zinc/36/65/00/772366500.db2.gz SJKNRPQFYXRLHU-UHFFFAOYSA-N -2 3 291.760 1.241 20 0 CDADHL C[C@@H](NC(=O)c1cc([O-])ccc1Cl)[C@@H](C)C(=O)[O-] ZINC000235206145 772511573 /nfs/dbraw/zinc/51/15/73/772511573.db2.gz FDAKRNPXGYFQRV-RNFRBKRXSA-N -2 3 271.700 1.885 20 0 CDADHL O=C([O-])C(F)(F)C(F)(F)C(=O)[N-][C@H]1CC=CCC1 ZINC001180176492 916173631 /nfs/dbraw/zinc/17/36/31/916173631.db2.gz CUMJMNGJCJMKKR-LURJTMIESA-N -2 3 269.194 1.567 20 0 CDADHL O=c1cc([N-]S(=O)(=O)c2ccco2)nc(Cl)[n-]1 ZINC001186820255 920187454 /nfs/dbraw/zinc/18/74/54/920187454.db2.gz NANCZORBQAEAQR-UHFFFAOYSA-N -2 3 275.673 1.229 20 0 CDADHL Cc1[n-][nH]c2ncnc(=NC(=O)c3c(C)cc(O)cc3[O-])c1-2 ZINC001193910946 923975778 /nfs/dbraw/zinc/97/57/78/923975778.db2.gz GHMHJGNTSVRGBS-UHFFFAOYSA-N -2 3 299.290 1.007 20 0 CDADHL C[C@]1(C(=O)NCCCCP(=O)([O-])[O-])CC=CCC1 ZINC001142552689 937030203 /nfs/dbraw/zinc/03/02/03/937030203.db2.gz UODGUZGFVYUCPT-LBPRGKRZSA-N -2 3 275.285 1.807 20 0 CDADHL Cc1ccc(N)cc1S(=O)(=O)[N-]c1cncc([O-])c1 ZINC001201639476 926355332 /nfs/dbraw/zinc/35/53/32/926355332.db2.gz DTFFNDWVDRSSJI-UHFFFAOYSA-N -2 3 279.321 1.479 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])NC1CCCCC1 ZINC001202620826 930376514 /nfs/dbraw/zinc/37/65/14/930376514.db2.gz OYLQMJFYYGACCX-UHFFFAOYSA-N -2 3 278.289 1.576 20 0 CDADHL O=C(Cc1ccccc1O)NCCCCP(=O)([O-])[O-] ZINC001144269636 931730112 /nfs/dbraw/zinc/73/01/12/931730112.db2.gz BMNLQPINICDNPL-UHFFFAOYSA-N -2 3 287.252 1.009 20 0 CDADHL COc1ccc(C(=O)[O-])cc1Nc1cc(=O)[n-]c(=S)[nH]1 ZINC001210254030 940675006 /nfs/dbraw/zinc/67/50/06/940675006.db2.gz APNGJNOKDHISJE-UHFFFAOYSA-N -2 3 293.304 1.921 20 0 CDADHL [S-]c1[n-]c(OC[C@H]2CCCO2)nc2ncnc1-2 ZINC001226780238 942069036 /nfs/dbraw/zinc/06/90/36/942069036.db2.gz GUWNTPSAPLZCHO-ZCFIWIBFSA-N -2 3 252.299 1.199 20 0 CDADHL [S-]c1[n-]c(O[C@@H]2CCn3ccnc32)nc2ncnc1-2 ZINC001226781234 942069715 /nfs/dbraw/zinc/06/97/15/942069715.db2.gz YAEDJSLGUFRUKB-ZCFIWIBFSA-N -2 3 274.309 1.362 20 0 CDADHL O=c1nc2c(=O)[n-]c(=O)[nH]c2c(O[C@H]2CCCC[C@H]2F)[n-]1 ZINC001226886834 942088429 /nfs/dbraw/zinc/08/84/29/942088429.db2.gz ULCLZAPRAIZMOE-RITPCOANSA-N -2 3 296.258 1.196 20 0 CDADHL COC(=O)Cc1c(=O)[n-]cnc1O[C@@H](C)C1=CC=C[CH]1 ZINC001230500152 942626304 /nfs/dbraw/zinc/62/63/04/942626304.db2.gz BOWOMGMSPZKJGM-VIFPVBQESA-N -2 3 275.284 1.365 20 0 CDADHL C[C@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1ccc(F)cc1 ZINC001233933556 943693508 /nfs/dbraw/zinc/69/35/08/943693508.db2.gz DANVGDOLKPGPCD-ZETCQYMHSA-N -2 3 274.255 1.925 20 0 CDADHL O=C([O-])c1cccc(-c2cncc(-c3nnn[n-]3)c2)c1F ZINC001242380062 946698406 /nfs/dbraw/zinc/69/84/06/946698406.db2.gz FODAVLGGDXYMAO-UHFFFAOYSA-N -2 3 285.238 1.766 20 0 CDADHL O=C([O-])c1cccc(-c2cncc(-c3nn[n-]n3)c2)c1F ZINC001242380062 946698411 /nfs/dbraw/zinc/69/84/11/946698411.db2.gz FODAVLGGDXYMAO-UHFFFAOYSA-N -2 3 285.238 1.766 20 0 CDADHL O=C([O-])CC1(NC(=O)c2c[n-]ncc2=O)CCCCC1 ZINC001594983551 950997907 /nfs/dbraw/zinc/99/79/07/950997907.db2.gz LZQCHIZNGUQAPH-UHFFFAOYSA-N -2 3 279.296 1.090 20 0 CDADHL O=C([O-])COCC(=O)Nc1ccc(Cl)cc1[O-] ZINC001595108313 951898894 /nfs/dbraw/zinc/89/88/94/951898894.db2.gz RNQRHGPPCSFWJF-UHFFFAOYSA-N -2 3 259.645 1.085 20 0 CDADHL O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1ccccc1[O-] ZINC000229024625 960052798 /nfs/dbraw/zinc/05/27/98/960052798.db2.gz MAUOQHDMZOWMOR-BREBYQMCSA-N -2 3 275.304 1.718 20 0 CDADHL Cc1cccc([O-])c1C(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21 ZINC001571035083 960519658 /nfs/dbraw/zinc/51/96/58/960519658.db2.gz JVWZZJJYELAYRE-KXNHARMFSA-N -2 3 289.331 1.930 20 0 CDADHL Cc1ccc(C(=O)N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@@H]23)c([O-])c1 ZINC001551445651 966633289 /nfs/dbraw/zinc/63/32/89/966633289.db2.gz NORFNECWVZEOCD-YRRQLQLVSA-N -2 3 289.331 1.930 20 0 CDADHL Cc1ccc(CNC(=S)NCCP(=O)([O-])[O-])cc1 ZINC001200324648 967940408 /nfs/dbraw/zinc/94/04/08/967940408.db2.gz YTGKHSDCHNILOO-UHFFFAOYSA-N -2 3 288.309 1.137 20 0 CDADHL Cc1cccc([O-])c1C(=O)N1C[C@@H](C)C[C@H](C(=O)[O-])C1 ZINC000706611945 969018527 /nfs/dbraw/zinc/01/85/27/969018527.db2.gz NVKZLDNLIRPOCJ-ONGXEEELSA-N -2 3 277.320 1.883 20 0 CDADHL Cc1[n-][nH]c(=O)c1NC(=O)c1cccc([O-])c1F ZINC001468545922 970174449 /nfs/dbraw/zinc/17/44/49/970174449.db2.gz HGDVUNRJRQDAAO-UHFFFAOYSA-N -2 3 251.217 1.521 20 0 CDADHL COCCN(CC(=O)[O-])Cc1c(F)ccc([O-])c1F ZINC001599234691 970628350 /nfs/dbraw/zinc/62/83/50/970628350.db2.gz COPIBBLLLOZJEI-UHFFFAOYSA-N -2 3 275.251 1.203 20 0 CDADHL O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1cc(=O)c2ccccc2[n-]1 ZINC001605833798 972569127 /nfs/dbraw/zinc/56/91/27/972569127.db2.gz RAXVRPOPGIWSPS-DTORHVGOSA-N -2 3 286.287 1.121 20 0 CDADHL C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cnn[n-]2)cc1 ZINC000396381927 972871129 /nfs/dbraw/zinc/87/11/29/972871129.db2.gz OGUVDQCJAKMWPG-ZETCQYMHSA-N -2 3 260.253 1.245 20 0 CDADHL C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cn[n-]n2)cc1 ZINC000396381927 972871134 /nfs/dbraw/zinc/87/11/34/972871134.db2.gz OGUVDQCJAKMWPG-ZETCQYMHSA-N -2 3 260.253 1.245 20 0 CDADHL COc1cccc([O-])c1C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000404587305 973734324 /nfs/dbraw/zinc/73/43/24/973734324.db2.gz FRWVLYSQRIASNP-UHFFFAOYSA-N -2 3 293.319 1.728 20 0 CDADHL C/C(=C\C[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000692468631 976494596 /nfs/dbraw/zinc/49/45/96/976494596.db2.gz DSMHJSBCXIUHHA-GQCTYLIASA-N -2 3 295.769 1.711 20 0 CDADHL CCC[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)OC ZINC000694223568 976685402 /nfs/dbraw/zinc/68/54/02/976685402.db2.gz VIUYRAPBBKEEEA-SECBINFHSA-N -2 3 291.325 1.071 20 0 CDADHL COc1cc(C(=O)[N-]c2c(F)cccc2C(=O)[O-])on1 ZINC000704747918 977252087 /nfs/dbraw/zinc/25/20/87/977252087.db2.gz CVZXVSHXIPSACG-UHFFFAOYSA-N -2 3 280.211 1.773 20 0 CDADHL C[C@@H](CC(=O)[O-])CC(=O)[N-]OCCCC(F)(F)F ZINC000710054475 977477394 /nfs/dbraw/zinc/47/73/94/977477394.db2.gz KARLMKNVKCVHQU-SSDOTTSWSA-N -2 3 271.235 1.878 20 0 CDADHL Cc1ccc(C(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])c([O-])c1 ZINC000713553864 977647550 /nfs/dbraw/zinc/64/75/50/977647550.db2.gz WGKCIQRPUGTOSV-SECBINFHSA-N -2 3 285.246 1.635 20 0 CDADHL C[C@H](CC(=O)[O-])C(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001592346382 977818730 /nfs/dbraw/zinc/81/87/30/977818730.db2.gz WPEZLGXAVVUKSV-RFZPGFLSSA-N -2 3 294.233 1.112 20 0 CDADHL C[C@H]([N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-])C(F)F ZINC001593338812 994929263 /nfs/dbraw/zinc/92/92/63/994929263.db2.gz DOYNKLWOCDQWLR-YFKPBYRVSA-N -2 3 297.254 1.456 20 0 CDADHL CCc1ncc(C(=O)[O-])c(NCc2nc(C)cc(=O)[n-]2)n1 ZINC001573838025 1170800029 /nfs/dbraw/zinc/80/00/29/1170800029.db2.gz SKFAPAYMSZIKJR-UHFFFAOYSA-N -2 3 289.295 1.153 20 0 CDADHL CC1CC([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000163648296 342073399 /nfs/dbraw/zinc/07/33/99/342073399.db2.gz LTHISIPLAQCMDC-UHFFFAOYSA-N -2 3 259.283 1.055 20 0 CDADHL O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1ccco1 ZINC000629312671 361829644 /nfs/dbraw/zinc/82/96/44/361829644.db2.gz BVONYCPXKRGLEP-ZJUUUORDSA-N -2 3 287.337 1.591 20 0 CDADHL CCCC[C@@H]([N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000262327761 534934992 /nfs/dbraw/zinc/93/49/92/534934992.db2.gz DPQCWXSPJRLFLG-MRVPVSSYSA-N -2 3 261.299 1.201 20 0 CDADHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000149337648 342436648 /nfs/dbraw/zinc/43/66/48/342436648.db2.gz HBSLBQFRQIWOOD-QMMMGPOBSA-N -2 3 291.394 1.916 20 0 CDADHL O=C([O-])CC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000011891776 365822088 /nfs/dbraw/zinc/82/20/88/365822088.db2.gz IGVCHNHZDXVPJV-UHFFFAOYSA-N -2 3 269.731 1.155 20 0 CDADHL Cc1cccc([O-])c1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000063156142 358812201 /nfs/dbraw/zinc/81/22/01/358812201.db2.gz XOYOFMKVXMCXGV-SNVBAGLBSA-N -2 3 271.338 1.621 20 0 CDADHL Cc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)c([O-])c1 ZINC000634816521 358813029 /nfs/dbraw/zinc/81/30/29/358813029.db2.gz RZNGNRKZWIUFHH-QWRGUYRKSA-N -2 3 263.293 1.996 20 0 CDADHL CCC[C@@H]([N-]S(=O)(=O)c1ccc(C)o1)C(=O)[O-] ZINC000263515624 359293540 /nfs/dbraw/zinc/29/35/40/359293540.db2.gz ZPHRVEKCLDVUMI-MRVPVSSYSA-N -2 3 261.299 1.120 20 0 CDADHL CCCC[C@@H]([N-]S(=O)(=O)c1cnc(C)s1)C(=O)[O-] ZINC000231321309 360443969 /nfs/dbraw/zinc/44/39/69/360443969.db2.gz VAUPEUVVOSLLHR-MRVPVSSYSA-N -2 3 292.382 1.373 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@@H](C)CCC(=O)[O-])c(F)c1 ZINC000275049653 192892352 /nfs/dbraw/zinc/89/23/52/192892352.db2.gz SDWJWDVPIUYFII-VIFPVBQESA-N -2 3 289.328 1.666 20 0 CDADHL CC[C@@H](CNC(=O)c1cc(OC)ccc1[O-])C(=O)[O-] ZINC000087481457 482860304 /nfs/dbraw/zinc/86/03/04/482860304.db2.gz ATIBCRQIRXAKRO-QMMMGPOBSA-N -2 3 267.281 1.241 20 0 CDADHL O=C([O-])c1cccc(CC[N-]S(=O)(=O)c2ccco2)c1 ZINC000520475095 361519718 /nfs/dbraw/zinc/51/97/18/361519718.db2.gz IUESMKHIKUHCFD-UHFFFAOYSA-N -2 3 295.316 1.499 20 0 CDADHL CSC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000169157210 365029902 /nfs/dbraw/zinc/02/99/02/365029902.db2.gz OFKWRAODDFOAAG-ZCFIWIBFSA-N -2 3 295.407 1.476 20 0 CDADHL CSc1nc(C)c(CCC(=O)[N-]OCC2CC2)c(=O)[n-]1 ZINC000293780294 370794716 /nfs/dbraw/zinc/79/47/16/370794716.db2.gz NNVJGJFGJNSZOA-UHFFFAOYSA-N -2 3 297.380 1.603 20 0 CDADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1F ZINC000414321464 241156412 /nfs/dbraw/zinc/15/64/12/241156412.db2.gz FADHOPAEGCREFE-JGVFFNPUSA-N -2 3 291.300 1.455 20 0 CDADHL CSCCO[N-]C(=O)N=c1nc(SC)[n-]s1 ZINC000281237000 367612488 /nfs/dbraw/zinc/61/24/88/367612488.db2.gz DGEOXSCHADWDDD-UHFFFAOYSA-N -2 3 280.400 1.676 20 0 CDADHL C[C@H]1CCCN(C(=O)c2ccc3n[n-]nc3c2)[C@@H]1C(=O)[O-] ZINC000235708110 367644858 /nfs/dbraw/zinc/64/48/58/367644858.db2.gz MSFACTYRHQLHRC-UFBFGSQYSA-N -2 3 288.307 1.283 20 0 CDADHL COc1ccc([O-])c(C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)c1 ZINC000263109308 370507902 /nfs/dbraw/zinc/50/79/02/370507902.db2.gz BPEHUHCPEMJMHI-VHSXEESVSA-N -2 3 293.319 1.584 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]CC2CCC2)cc1C(=O)[O-] ZINC000578504157 372484223 /nfs/dbraw/zinc/48/42/23/372484223.db2.gz YAORPWPXYSIBKV-UHFFFAOYSA-N -2 3 273.310 1.365 20 0 CDADHL CC(C)Sc1nc([N-]S(=O)(=O)CCCCF)n[n-]1 ZINC000342442841 374207651 /nfs/dbraw/zinc/20/76/51/374207651.db2.gz FMFWVSYVSGLCRW-UHFFFAOYSA-N -2 3 296.393 1.797 20 0 CDADHL Cc1csc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)(C)C)c1 ZINC000571877356 377561089 /nfs/dbraw/zinc/56/10/89/377561089.db2.gz ADSBNWRHUPLIBR-VIFPVBQESA-N -2 3 291.394 1.834 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CC[C@@H](C)C[C@H]2C(=O)[O-])n1 ZINC000571929059 377596894 /nfs/dbraw/zinc/59/68/94/377596894.db2.gz FETUWEDOEHVFRM-KOLCDFICSA-N -2 3 279.340 1.430 20 0 CDADHL O=C([N-]O[C@H]1CCCCO1)c1c(F)ccc([O-])c1F ZINC000280894031 195019178 /nfs/dbraw/zinc/01/91/78/195019178.db2.gz ZVDYMRLWOHLIRE-VIFPVBQESA-N -2 3 273.235 1.858 20 0 CDADHL CC[C@@H](CS(=O)(=O)[N-]c1ccccc1[O-])OC ZINC000421142987 391824258 /nfs/dbraw/zinc/82/42/58/391824258.db2.gz SILQAYIAEFIBJB-VIFPVBQESA-N -2 3 259.327 1.559 20 0 CDADHL O=C(N=c1ccc([O-])n[n-]1)c1sccc1C1CC1 ZINC000432999457 392312790 /nfs/dbraw/zinc/31/27/90/392312790.db2.gz LSPKEAGCNNPOOU-UHFFFAOYSA-N -2 3 261.306 1.795 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]CCCC(=O)[O-])c(F)c1 ZINC000261664127 131160334 /nfs/dbraw/zinc/16/03/34/131160334.db2.gz JKGGABIJNPQZON-UHFFFAOYSA-N -2 3 275.301 1.277 20 0 CDADHL O=C([O-])CCCCC(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000656231540 413128637 /nfs/dbraw/zinc/12/86/37/413128637.db2.gz LDWJKZGEIRZYOC-UHFFFAOYSA-N -2 3 289.295 1.450 20 0 CDADHL C[C@@H]1[C@H](C(=O)N=c2ccc([O-])n[n-]2)CCN1c1ccccc1 ZINC000355877719 157273201 /nfs/dbraw/zinc/27/32/01/157273201.db2.gz GHRPLEMZPYJBCP-DGCLKSJQSA-N -2 3 298.346 1.458 20 0 CDADHL O=C([O-])C1(CNC(=O)NCc2ccc([O-])c(F)c2)CCC1 ZINC000659399737 413787441 /nfs/dbraw/zinc/78/74/41/413787441.db2.gz UYUBLTRHYCBPJZ-UHFFFAOYSA-N -2 3 296.298 1.585 20 0 CDADHL Cc1ccc(C(=O)N[C@](C)(C(=O)[O-])C2CC2)c([O-])c1 ZINC000037366069 173155584 /nfs/dbraw/zinc/15/55/84/173155584.db2.gz RMHXORACRSRRAX-AWEZNQCLSA-N -2 3 263.293 1.684 20 0 CDADHL CCN(CC)C(=O)Nc1ccc(C(=O)[O-])cc1[O-] ZINC000040524368 174312436 /nfs/dbraw/zinc/31/24/36/174312436.db2.gz YUTHTYQKKLVEJL-UHFFFAOYSA-N -2 3 252.270 1.964 20 0 CDADHL C[C@H](CC(=O)[O-])Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001589794869 1173180775 /nfs/dbraw/zinc/18/07/75/1173180775.db2.gz QNLTVYMDQZSRBP-RXMQYKEDSA-N -2 3 282.691 1.190 20 0 CDADHL C[C@H](CC(=O)[O-])Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001589794869 1173180779 /nfs/dbraw/zinc/18/07/79/1173180779.db2.gz QNLTVYMDQZSRBP-RXMQYKEDSA-N -2 3 282.691 1.190 20 0 CDADHL O=C([O-])Cc1cccc([N-]S(=O)(=O)Cc2ccon2)c1 ZINC000548193979 289857217 /nfs/dbraw/zinc/85/72/17/289857217.db2.gz WJGTYCPFGYJGTI-UHFFFAOYSA-N -2 3 296.304 1.244 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)o1 ZINC000563081458 293266453 /nfs/dbraw/zinc/26/64/53/293266453.db2.gz YNARDCPGLSGFHZ-BDAKNGLRSA-N -2 3 273.310 1.120 20 0 CDADHL Cc1cc(=O)[n-]c([C@@H](C)N2CCSC[C@H]2CC(=O)[O-])n1 ZINC000569128987 294164497 /nfs/dbraw/zinc/16/44/97/294164497.db2.gz FZOZEZCUOAWBEB-NXEZZACHSA-N -2 3 297.380 1.444 20 0 CDADHL Cc1ncc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C)s1 ZINC000230099382 302701586 /nfs/dbraw/zinc/70/15/86/302701586.db2.gz WDQWCMYWIHPFIU-MRVPVSSYSA-N -2 3 292.382 1.229 20 0 CDADHL COc1cccc(C(=O)N2CCC[C@H](CC(=O)[O-])C2)c1[O-] ZINC000054294211 482530659 /nfs/dbraw/zinc/53/06/59/482530659.db2.gz LZMSBQGEAHONJL-SNVBAGLBSA-N -2 3 293.319 1.728 20 0 CDADHL C[C@@H](CNc1ccc(-c2nn[n-]n2)cc1F)C(=O)[O-] ZINC000095227841 1174516176 /nfs/dbraw/zinc/51/61/76/1174516176.db2.gz YAZZLZXPJRCMED-LURJTMIESA-N -2 3 265.248 1.138 20 0 CDADHL O=C([O-])CSCc1cccc(NC(=O)c2c[n-]nn2)c1 ZINC000739871861 574505011 /nfs/dbraw/zinc/50/50/11/574505011.db2.gz OGCPMNZNCOHPIP-UHFFFAOYSA-N -2 3 292.320 1.375 20 0 CDADHL O=C([O-])CSCc1cccc(NC(=O)c2cnn[n-]2)c1 ZINC000739871861 574505012 /nfs/dbraw/zinc/50/50/12/574505012.db2.gz OGCPMNZNCOHPIP-UHFFFAOYSA-N -2 3 292.320 1.375 20 0 CDADHL O=C([O-])CSCc1cccc(NC(=O)c2cn[n-]n2)c1 ZINC000739871861 574505013 /nfs/dbraw/zinc/50/50/13/574505013.db2.gz OGCPMNZNCOHPIP-UHFFFAOYSA-N -2 3 292.320 1.375 20 0 CDADHL CN(CCCC(=O)[N-]OCc1ccccc1)C(=O)[O-] ZINC000737426233 575962662 /nfs/dbraw/zinc/96/26/62/575962662.db2.gz ALWCYSJHCBXFJS-UHFFFAOYSA-N -2 3 266.297 1.624 20 0 CDADHL CC(C)(C)c1nc(=S)n(CN(CC(=O)[O-])C2CC2)[n-]1 ZINC000737590910 575998262 /nfs/dbraw/zinc/99/82/62/575998262.db2.gz SRECGXBRKSSKLU-UHFFFAOYSA-N -2 3 284.385 1.745 20 0 CDADHL O=C([O-])[C@H]1CCCN(C(=O)c2cc3c(cc2[O-])OCO3)C1 ZINC000739581763 576260790 /nfs/dbraw/zinc/26/07/90/576260790.db2.gz ZPAUIJXNLXJZNN-QMMMGPOBSA-N -2 3 293.275 1.058 20 0 CDADHL O=C([O-])C[C@H]1CCCN1C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001601950396 1175082443 /nfs/dbraw/zinc/08/24/43/1175082443.db2.gz HDLNQNDRGATANZ-SECBINFHSA-N -2 3 291.307 1.139 20 0 CDADHL COc1cc(C(=O)O[C@@H](C)C(=O)[O-])cc(OC)c1[O-] ZINC000820759281 597506047 /nfs/dbraw/zinc/50/60/47/597506047.db2.gz NRWMDGCJEWFTCP-LURJTMIESA-N -2 3 270.237 1.039 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]Cc2ccc[nH]2)cc1C(=O)[O-] ZINC000833027627 601224056 /nfs/dbraw/zinc/22/40/56/601224056.db2.gz WSLQHJSLEDCHIN-UHFFFAOYSA-N -2 3 284.293 1.093 20 0 CDADHL CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(O)cc1[O-] ZINC000828638093 601134507 /nfs/dbraw/zinc/13/45/07/601134507.db2.gz FNFQJNLRLBWJQT-ZDUSSCGKSA-N -2 3 267.281 1.471 20 0 CDADHL O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2ncccc2[O-])C1 ZINC000833188107 601386410 /nfs/dbraw/zinc/38/64/10/601386410.db2.gz LGUXFWQURICGGD-BDAKNGLRSA-N -2 3 264.281 1.617 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@@H]3CCC[C@@H]23)oc1C(=O)[O-] ZINC000903549685 626022150 /nfs/dbraw/zinc/02/21/50/626022150.db2.gz OTOPJJARGPBNNF-IVZWLZJFSA-N -2 3 299.348 1.753 20 0 CDADHL O=C([O-])[C@H]1[C@@H](O)CCCN1C(=O)c1cc([O-])ccc1Cl ZINC000911640112 629360605 /nfs/dbraw/zinc/36/06/05/629360605.db2.gz WRWUAJRZPGNQLS-WDEREUQCSA-N -2 3 299.710 1.096 20 0 CDADHL O=C([O-])c1cccc(CC(=O)[N-]OCCC2CC2)c1 ZINC000911811747 629544056 /nfs/dbraw/zinc/54/40/56/629544056.db2.gz XMHLJYKVHNKXBZ-UHFFFAOYSA-N -2 3 263.293 1.775 20 0 CDADHL C[C@@H]([N-]S(=O)(=O)c1occc1C(=O)[O-])C1(C)CC1 ZINC001604358984 1163164482 /nfs/dbraw/zinc/16/44/82/1163164482.db2.gz SAGGPZBVLPMIBJ-SSDOTTSWSA-N -2 3 273.310 1.445 20 0 CDADHL CCc1ccc(C(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])c([O-])c1 ZINC001605805255 1163677059 /nfs/dbraw/zinc/67/70/59/1163677059.db2.gz XPCHZIXTBOSSLV-ZYHUDNBSSA-N -2 3 277.320 1.938 20 0 CDADHL COCCS(=O)(=O)[N-]c1cc(C)sc1C(=O)[O-] ZINC001606919679 1164030250 /nfs/dbraw/zinc/03/02/50/1164030250.db2.gz OSRYYWOKQDTHGE-UHFFFAOYSA-N -2 3 279.339 1.143 20 0 CDADHL O=C([O-])c1nsc([N-]C(=O)c2ccncc2F)n1 ZINC001609004655 1164719441 /nfs/dbraw/zinc/71/94/41/1164719441.db2.gz QXXFHOQTCQJREP-UHFFFAOYSA-N -2 3 268.229 1.023 20 0 CDADHL O=C([O-])[C@H](Cc1ccc(Cl)cc1)OC(=O)c1cnn[n-]1 ZINC001609013382 1164722968 /nfs/dbraw/zinc/72/29/68/1164722968.db2.gz CBWFTILVGDVIBH-JTQLQIEISA-N -2 3 295.682 1.311 20 0 CDADHL O=C([O-])[C@H](Cc1ccc(Cl)cc1)OC(=O)c1c[n-]nn1 ZINC001609013382 1164722972 /nfs/dbraw/zinc/72/29/72/1164722972.db2.gz CBWFTILVGDVIBH-JTQLQIEISA-N -2 3 295.682 1.311 20 0 CDADHL C[C@@H](CC(=O)[O-])Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000095224595 1166611140 /nfs/dbraw/zinc/61/11/40/1166611140.db2.gz JFWBAYREDZEWBU-LURJTMIESA-N -2 3 281.703 1.795 20 0 CDADHL C[C@@H](CC(=O)[O-])Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000095224595 1166611144 /nfs/dbraw/zinc/61/11/44/1166611144.db2.gz JFWBAYREDZEWBU-LURJTMIESA-N -2 3 281.703 1.795 20 0 CDADHL CO[C@H](C)CS(=O)(=O)[N-]c1cc(C)sc1C(=O)[O-] ZINC001606666178 1167905442 /nfs/dbraw/zinc/90/54/42/1167905442.db2.gz GCHQSDZLJQZQHG-ZCFIWIBFSA-N -2 3 293.366 1.531 20 0 CDADHL O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)c1ccc(O)cc1[O-] ZINC001574398306 1170969391 /nfs/dbraw/zinc/96/93/91/1170969391.db2.gz BYQUBJPRAAZLSL-SXMVTHIZSA-N -2 3 277.276 1.176 20 0 CDADHL O=C([O-])c1csc([N-]C(=O)c2nnc(C3CC3)o2)n1 ZINC001574422612 1170978378 /nfs/dbraw/zinc/97/83/78/1170978378.db2.gz IFJXRTHZOUWVOL-UHFFFAOYSA-N -2 3 280.265 1.354 20 0 CDADHL O=C([O-])c1ccc(CN2CCC[C@H](c3n[n-]c(=O)o3)C2)o1 ZINC001602339215 1175213244 /nfs/dbraw/zinc/21/32/44/1175213244.db2.gz UHVCMBZRACYESH-QMMMGPOBSA-N -2 3 293.279 1.446 20 0 CDADHL CC(C)OC(=O)c1cc(NC(=O)CCCC(=O)[O-])[n-]n1 ZINC001603908726 1175681396 /nfs/dbraw/zinc/68/13/96/1175681396.db2.gz YEPVUQPRJRTQCS-UHFFFAOYSA-N -2 3 283.284 1.168 20 0 CDADHL CC(C)OC(=O)c1cc(NC(=O)CCCC(=O)[O-])n[n-]1 ZINC001603908726 1175681401 /nfs/dbraw/zinc/68/14/01/1175681401.db2.gz YEPVUQPRJRTQCS-UHFFFAOYSA-N -2 3 283.284 1.168 20 0 CDADHL C[C@@H]1C[C@H](C(=O)Nc2cc(F)ccc2[O-])O[C@H]1C(=O)[O-] ZINC001607444561 1164182793 /nfs/dbraw/zinc/18/27/93/1164182793.db2.gz XQGDAYCBBIWGJX-DIMCTHFVSA-N -2 3 283.255 1.348 20 0 CDADHL COc1cc(Nc2cc(=O)[n-]c(=S)[nH]2)ccc1C(=O)[O-] ZINC001174682123 1164301311 /nfs/dbraw/zinc/30/13/11/1164301311.db2.gz DXXDHXNWFKHASH-UHFFFAOYSA-N -2 3 293.304 1.921 20 0 CDADHL O=C([O-])C1(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)CCCC1 ZINC001608404554 1164510392 /nfs/dbraw/zinc/51/03/92/1164510392.db2.gz ZCYQNXPNBZHMFS-UHFFFAOYSA-N -2 3 291.307 1.187 20 0 CDADHL CC(C)(CCNc1cccnc1-c1nnn[n-]1)C(=O)[O-] ZINC001609083568 1164759587 /nfs/dbraw/zinc/75/95/87/1164759587.db2.gz IXRCAFBGYLJMON-UHFFFAOYSA-N -2 3 276.300 1.175 20 0 CDADHL CC(C)OCCON=c1ccc(Cl)c(-c2nnn[n-]2)[n-]1 ZINC001609101862 1164772003 /nfs/dbraw/zinc/77/20/03/1164772003.db2.gz QHQCLTDOLMYZBR-UHFFFAOYSA-N -2 3 298.734 1.684 20 0 CDADHL O=C([N-]OC1CCCC1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000847661223 774401840 /nfs/dbraw/zinc/40/18/40/774401840.db2.gz AQSIAHOXKBLYOJ-UHFFFAOYSA-N -2 3 263.297 1.664 20 0 CDADHL Cc1nc(C(C)C)[n-]c(=O)c1C(=O)[N-]OC1CCCC1 ZINC000135687738 775374630 /nfs/dbraw/zinc/37/46/30/775374630.db2.gz FPDGQLHVRJKABO-UHFFFAOYSA-N -2 3 279.340 1.806 20 0 CDADHL O=C([N-]OCc1ccc(F)cc1)C(=O)c1ccc([O-])cc1 ZINC000807246109 777881036 /nfs/dbraw/zinc/88/10/36/777881036.db2.gz IWNNJSQVURLLCA-UHFFFAOYSA-N -2 3 289.262 1.962 20 0 CDADHL Cc1cc(=O)[n-]c(C(C)(C)[N-]C(=O)C(F)(F)C(F)F)n1 ZINC000857547285 779218386 /nfs/dbraw/zinc/21/83/86/779218386.db2.gz XOFXSRSZEQRGKG-UHFFFAOYSA-N -2 3 295.236 1.742 20 0 CDADHL Cc1ccc(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)c([O-])c1 ZINC000695040317 898870066 /nfs/dbraw/zinc/87/00/66/898870066.db2.gz QZJBIPYTRRHGOE-SNVBAGLBSA-N -2 3 261.277 1.604 20 0 CDADHL Cc1nc(NC(=O)c2ccc(F)c(F)c2[O-])cc(=O)[n-]1 ZINC001192785516 923246814 /nfs/dbraw/zinc/24/68/14/923246814.db2.gz XTKSKIMWOMHJDI-UHFFFAOYSA-N -2 3 281.218 1.727 20 0 CDADHL O=P([O-])([O-])CCCCNC(=S)NC1CCCC1 ZINC001198571508 925458548 /nfs/dbraw/zinc/45/85/48/925458548.db2.gz OMTAHCAYARNWFG-UHFFFAOYSA-N -2 3 280.330 1.351 20 0 CDADHL Nc1ccccc1S(=O)(=O)[N-]c1cc([O-])cc(F)c1 ZINC001206850819 940101423 /nfs/dbraw/zinc/10/14/23/940101423.db2.gz CPHIAEYLCQBDTR-UHFFFAOYSA-N -2 3 282.296 1.914 20 0 CDADHL C[C@H]1[C@@H](OCCP(=O)([O-])[O-])CN1C(=O)OC(C)(C)C ZINC001224603138 941774006 /nfs/dbraw/zinc/77/40/06/941774006.db2.gz VMHFWGFGJXSMRN-IUCAKERBSA-N -2 3 295.272 1.189 20 0 CDADHL CCCCOC[C@@H](C)OC[C@H](C)OCCP(=O)([O-])[O-] ZINC001224601742 941774750 /nfs/dbraw/zinc/77/47/50/941774750.db2.gz KLFWIFFPJGFZPX-NEPJUHHUSA-N -2 3 298.316 1.791 20 0 CDADHL O=P([O-])([O-])CCO[C@H](c1cccnc1)C(F)(F)F ZINC001224606133 941775758 /nfs/dbraw/zinc/77/57/58/941775758.db2.gz MIPDCEMSBBNXFB-MRVPVSSYSA-N -2 3 285.158 1.879 20 0 CDADHL C[C@@H](OCCCCP(=O)([O-])[O-])C(=O)OC(C)(C)C ZINC001225019116 941814631 /nfs/dbraw/zinc/81/46/31/941814631.db2.gz RTJZNMJDDKXQKM-SECBINFHSA-N -2 3 282.273 1.691 20 0 CDADHL [S-]c1[n-]c(O[C@@H]2CCCOC2)nc2ncnc1-2 ZINC001226780793 942068099 /nfs/dbraw/zinc/06/80/99/942068099.db2.gz UYQFTCJXWQCROD-ZCFIWIBFSA-N -2 3 252.299 1.199 20 0 CDADHL C[C@H](Oc1nc2[nH]c(=O)[nH]c(=O)c2[n-]1)C1=CC=C[CH]1 ZINC001227429420 942176089 /nfs/dbraw/zinc/17/60/89/942176089.db2.gz CISWMDAKRCBLGR-LURJTMIESA-N -2 3 259.245 1.232 20 0 CDADHL C[C@H](Oc1nc2[nH]c(=O)[nH]c([O-])c-2n1)C1=CC=C[CH]1 ZINC001227429420 942176092 /nfs/dbraw/zinc/17/60/92/942176092.db2.gz CISWMDAKRCBLGR-LURJTMIESA-N -2 3 259.245 1.232 20 0 CDADHL C[C@@H](COc1[n-]c(=O)nc2cn[n-]c21)Oc1ccccc1 ZINC001233940636 943696370 /nfs/dbraw/zinc/69/63/70/943696370.db2.gz YGOBBUIOBJSVIY-VIFPVBQESA-N -2 3 286.291 1.493 20 0 CDADHL Cc1cnc(F)c([C@H](C)Oc2[n-]c(=O)nc3cn[n-]c32)c1 ZINC001233942793 943696875 /nfs/dbraw/zinc/69/68/75/943696875.db2.gz DPNOEVVGKSJISM-ZETCQYMHSA-N -2 3 289.270 1.629 20 0 CDADHL CC1(C)CCC[C@@H](Oc2[n-]c(=O)nc3cn[n-]c32)C1 ZINC001233940136 943697071 /nfs/dbraw/zinc/69/70/71/943697071.db2.gz SFTBRWGSOJMXAF-MRVPVSSYSA-N -2 3 262.313 1.994 20 0 CDADHL C[C@@H](CC(=O)[O-])Nc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000095241481 944618285 /nfs/dbraw/zinc/61/82/85/944618285.db2.gz PEKNVQZVWTVYJG-ZETCQYMHSA-N -2 3 288.311 1.026 20 0 CDADHL C[C@@H](CC(=O)[O-])Nc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000095241481 944618288 /nfs/dbraw/zinc/61/82/88/944618288.db2.gz PEKNVQZVWTVYJG-ZETCQYMHSA-N -2 3 288.311 1.026 20 0 CDADHL CC(=O)c1cccc([O-])c1[N-]S(=O)(=O)C1CC1 ZINC001259276074 945529484 /nfs/dbraw/zinc/52/94/84/945529484.db2.gz QDEZPEGIWOQBRG-UHFFFAOYSA-N -2 3 255.295 1.499 20 0 CDADHL O=C([O-])c1cc(F)cc(-c2cncc(-c3nnn[n-]3)c2)c1 ZINC001241834477 946484182 /nfs/dbraw/zinc/48/41/82/946484182.db2.gz SACPYKKUMOGONQ-UHFFFAOYSA-N -2 3 285.238 1.766 20 0 CDADHL O=C([O-])c1cc(F)cc(-c2cncc(-c3nn[n-]n3)c2)c1 ZINC001241834477 946484186 /nfs/dbraw/zinc/48/41/86/946484186.db2.gz SACPYKKUMOGONQ-UHFFFAOYSA-N -2 3 285.238 1.766 20 0 CDADHL COc1ccc(-c2cncc(-c3nnn[n-]3)c2)cc1C(=O)[O-] ZINC001241874418 946488405 /nfs/dbraw/zinc/48/84/05/946488405.db2.gz DHXRZUOWEPCFNN-UHFFFAOYSA-N -2 3 297.274 1.636 20 0 CDADHL COc1ccc(-c2cncc(-c3nn[n-]n3)c2)cc1C(=O)[O-] ZINC001241874418 946488408 /nfs/dbraw/zinc/48/84/08/946488408.db2.gz DHXRZUOWEPCFNN-UHFFFAOYSA-N -2 3 297.274 1.636 20 0 CDADHL O=P([O-])([O-])c1ccc(-c2ccc3[nH]nnc3c2)cc1 ZINC001241943522 946528750 /nfs/dbraw/zinc/52/87/50/946528750.db2.gz QYQSIYUCCRPXGB-UHFFFAOYSA-N -2 3 275.204 1.428 20 0 CDADHL O=C([O-])CCc1ccc(-c2cncc(-c3nnn[n-]3)c2)cc1 ZINC001244192415 947341608 /nfs/dbraw/zinc/34/16/08/947341608.db2.gz WTMWUWRFYGNTGR-UHFFFAOYSA-N -2 3 295.302 1.946 20 0 CDADHL O=C([O-])CCc1ccc(-c2cncc(-c3nn[n-]n3)c2)cc1 ZINC001244192415 947341622 /nfs/dbraw/zinc/34/16/22/947341622.db2.gz WTMWUWRFYGNTGR-UHFFFAOYSA-N -2 3 295.302 1.946 20 0 CDADHL CC[C@H](OC(=O)c1cc(OC)c([O-])c(OC)c1)C(=O)[O-] ZINC001589577095 948968503 /nfs/dbraw/zinc/96/85/03/948968503.db2.gz GOFXZNZETIKHQK-QMMMGPOBSA-N -2 3 284.264 1.429 20 0 CDADHL CC(C)S(=O)(=O)[N-]c1c([O-])cc(F)cc1F ZINC001252507604 951389797 /nfs/dbraw/zinc/38/97/97/951389797.db2.gz FZCJXSVVEWCZIE-UHFFFAOYSA-N -2 3 251.254 1.821 20 0 CDADHL O=S(=O)(CC(F)(F)F)[N-]c1cncc([O-])c1 ZINC001253113404 951757500 /nfs/dbraw/zinc/75/75/00/951757500.db2.gz OEFAAOLHTSSPJC-UHFFFAOYSA-N -2 3 256.205 1.091 20 0 CDADHL O=C([O-])Cn1cc(NCc2ccc([O-])c(F)c2)cn1 ZINC001595147609 952120551 /nfs/dbraw/zinc/12/05/51/952120551.db2.gz GSDJAGMRTCFZMV-UHFFFAOYSA-N -2 3 265.244 1.425 20 0 CDADHL CC[C@](C)([N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000094220734 958266627 /nfs/dbraw/zinc/26/66/27/958266627.db2.gz PUKNWXOSVHDHOK-NSHDSACASA-N -2 3 293.291 1.496 20 0 CDADHL O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000126042905 958578262 /nfs/dbraw/zinc/57/82/62/958578262.db2.gz WICHDSKKCWNYCL-SCZZXKLOSA-N -2 3 279.292 1.471 20 0 CDADHL O=C([O-])c1c[nH]nc1NC(=O)c1cc([O-])ccc1Cl ZINC001605872819 972645266 /nfs/dbraw/zinc/64/52/66/972645266.db2.gz CLRKIVVSOSVNKK-UHFFFAOYSA-N -2 3 281.655 1.719 20 0 CDADHL CC[C@](C)(CC(=O)[O-])NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001594821265 981969753 /nfs/dbraw/zinc/96/97/53/981969753.db2.gz UIKQSCOPULYAHG-CQSZACIVSA-N -2 3 293.323 1.433 20 0 CDADHL Cc1ccc(C(=O)Nc2nn(C)cc2C(=O)[O-])c([O-])c1C ZINC001574152063 983178382 /nfs/dbraw/zinc/17/83/82/983178382.db2.gz OFZTVKDVBFZSDV-UHFFFAOYSA-N -2 3 289.291 1.693 20 0 CDADHL CCC[C@@H](NC(=O)c1cc2c(cc1[O-])OCO2)C(=O)[O-] ZINC001595995851 983251543 /nfs/dbraw/zinc/25/15/43/983251543.db2.gz DSUPEAYMOUYQJG-MRVPVSSYSA-N -2 3 281.264 1.104 20 0 CDADHL C[C@@H]1CN(Cc2ccc(C(=O)[O-])[nH]2)CC[C@H]1C(=O)[O-] ZINC001594538378 986166710 /nfs/dbraw/zinc/16/67/10/986166710.db2.gz NOOFCZRTHXSOIN-PSASIEDQSA-N -2 3 266.297 1.256 20 0 CDADHL CCc1ccc(C(=O)N(CC(=O)[O-])C2CC2)c([O-])c1 ZINC001597498572 988046864 /nfs/dbraw/zinc/04/68/64/988046864.db2.gz JDMRPKOGJUGJDF-UHFFFAOYSA-N -2 3 263.293 1.644 20 0 CDADHL COc1cccc(C(F)(F)C(=O)[N-][C@H](CF)C(=O)[O-])c1 ZINC001599656596 994590433 /nfs/dbraw/zinc/59/04/33/994590433.db2.gz BNICJEHFKXCETQ-SECBINFHSA-N -2 3 291.225 1.326 20 0 CDADHL C[C@@H](NCc1c(F)ccc([O-])c1F)c1nc(C(=O)[O-])n[nH]1 ZINC001573580178 1170698620 /nfs/dbraw/zinc/69/86/20/1170698620.db2.gz XRXVRRUOYUDHCA-RXMQYKEDSA-N -2 3 298.249 1.338 20 0 CDADHL Cc1nc(C)c(S(=O)(=O)[N-][C@H](C)CCC(=O)[O-])s1 ZINC000275011452 365890989 /nfs/dbraw/zinc/89/09/89/365890989.db2.gz NJBPZSXYYDCWJT-ZCFIWIBFSA-N -2 3 292.382 1.292 20 0 CDADHL O=C([O-])C[C@@H](NCc1c(F)cccc1Cl)C(=O)[O-] ZINC000075424098 1172116790 /nfs/dbraw/zinc/11/67/90/1172116790.db2.gz QNABTHISMFCZCF-SECBINFHSA-N -2 3 275.663 1.497 20 0 CDADHL COc1ccc([O-])c(C(=O)N[C@H](CC(C)C)C(=O)[O-])c1 ZINC000036971356 356295842 /nfs/dbraw/zinc/29/58/42/356295842.db2.gz ULGOTTDTFOPLOL-LLVKDONJSA-N -2 3 281.308 1.630 20 0 CDADHL O=S(=O)([N-]c1cccc([O-])c1F)c1ccco1 ZINC000336402892 363508192 /nfs/dbraw/zinc/50/81/92/363508192.db2.gz GZFHSQZYTGGDMW-UHFFFAOYSA-N -2 3 257.242 1.925 20 0 CDADHL COc1ccc([O-])c(C(=O)N(C)C[C@@H](C)C(=O)[O-])c1 ZINC000042699499 357076579 /nfs/dbraw/zinc/07/65/79/357076579.db2.gz NRRVJPPSTHXFDQ-MRVPVSSYSA-N -2 3 267.281 1.194 20 0 CDADHL Cc1cccc([O-])c1[N-]S(=O)(=O)CCOC(C)C ZINC000093666442 358624370 /nfs/dbraw/zinc/62/43/70/358624370.db2.gz UJIFJZCBQDLVMS-UHFFFAOYSA-N -2 3 273.354 1.867 20 0 CDADHL CC(C)[C@H]([N-]c1nc(C2CCOCC2)no1)C(=O)[O-] ZINC000263474196 359288059 /nfs/dbraw/zinc/28/80/59/359288059.db2.gz FCCMETGUCOOOKR-VIFPVBQESA-N -2 3 269.301 1.485 20 0 CDADHL CCc1ccc([O-])c([N-]S(=O)(=O)C[C@H]2CCCO2)c1 ZINC000094427182 359552933 /nfs/dbraw/zinc/55/29/33/359552933.db2.gz IOQXRBREDHYIBG-LLVKDONJSA-N -2 3 285.365 1.875 20 0 CDADHL Cc1nc(=NC(=O)c2ccc(-c3ccccn3)nc2[O-])o[n-]1 ZINC000338352694 360875400 /nfs/dbraw/zinc/87/54/00/360875400.db2.gz YRKCZDIGUGUUDA-UHFFFAOYSA-N -2 3 297.274 1.215 20 0 CDADHL Cc1noc(=NC(=O)c2ccc(-c3ccccn3)nc2[O-])[n-]1 ZINC000338352694 360875411 /nfs/dbraw/zinc/87/54/11/360875411.db2.gz YRKCZDIGUGUUDA-UHFFFAOYSA-N -2 3 297.274 1.215 20 0 CDADHL O=C(NCc1ccc([O-])c(F)c1)C(=O)c1ccc([O-])cc1 ZINC000436709865 361562200 /nfs/dbraw/zinc/56/22/00/361562200.db2.gz WWXZPZQEWJSEDG-UHFFFAOYSA-N -2 3 289.262 1.736 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C2CCCC2)o1 ZINC000034972422 364384482 /nfs/dbraw/zinc/38/44/82/364384482.db2.gz KBXRNTGDFMTRQQ-UHFFFAOYSA-N -2 3 259.283 1.199 20 0 CDADHL CCc1ncc(S(=O)(=O)[N-][C@](C)(CC)C(=O)[O-])s1 ZINC000516923991 367213551 /nfs/dbraw/zinc/21/35/51/367213551.db2.gz ANLQULZMFMPWDP-SNVBAGLBSA-N -2 3 292.382 1.237 20 0 CDADHL Cc1nc(C)c(CC(=O)Nc2ccc(F)cc2[O-])c(=O)[n-]1 ZINC000340328954 369731285 /nfs/dbraw/zinc/73/12/85/369731285.db2.gz DJZUHLFGIJHOEL-UHFFFAOYSA-N -2 3 291.282 1.825 20 0 CDADHL CCCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000013305383 370617309 /nfs/dbraw/zinc/61/73/09/370617309.db2.gz YRNDNJIGAAVPEW-UHFFFAOYSA-N -2 3 277.367 1.915 20 0 CDADHL C[C@H](CN(C)C(=O)c1c[n-]c2ccccc2c1=O)C(=O)[O-] ZINC000042696805 374336213 /nfs/dbraw/zinc/33/62/13/374336213.db2.gz SJWXAYZAXCAYHO-SECBINFHSA-N -2 3 288.303 1.321 20 0 CDADHL COc1ccc(C(=O)N[C@@H]2CCC[C@]2(C)C(=O)[O-])c([O-])c1 ZINC000164565210 375918806 /nfs/dbraw/zinc/91/88/06/375918806.db2.gz JRHKMVRQNIGIQT-DOMZBBRYSA-N -2 3 293.319 1.774 20 0 CDADHL COc1ccc(C(=O)NC[C@@H](CC2CC2)C(=O)[O-])c([O-])c1 ZINC000405426465 377818868 /nfs/dbraw/zinc/81/88/68/377818868.db2.gz ZLZHOMXZTAAPMX-SNVBAGLBSA-N -2 3 293.319 1.632 20 0 CDADHL CO[C@H](C)CS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000278528424 194029373 /nfs/dbraw/zinc/02/93/73/194029373.db2.gz CZHBJZCEJOVROV-MRVPVSSYSA-N -2 3 273.310 1.161 20 0 CDADHL CC1([N-]S(=O)(=O)c2scnc2C(=O)[O-])CCCC1 ZINC000134693945 390939422 /nfs/dbraw/zinc/93/94/22/390939422.db2.gz OQWUODJXOSDTKR-UHFFFAOYSA-N -2 3 290.366 1.452 20 0 CDADHL CC[C@H](CS(=O)(=O)[N-]c1ccc(OC)cc1[O-])OC ZINC000421158616 390948125 /nfs/dbraw/zinc/94/81/25/390948125.db2.gz SMCBWWGUNJIXAL-SECBINFHSA-N -2 3 289.353 1.568 20 0 CDADHL CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ncccc1[O-] ZINC000341893413 130137001 /nfs/dbraw/zinc/13/70/01/130137001.db2.gz VPEZTJUHIFJBGW-UHFFFAOYSA-N -2 3 292.320 1.565 20 0 CDADHL O=C(N=c1ccc([O-])n[n-]1)[C@@H]1CCCC[C@H]1C1CC1 ZINC000648359384 391810263 /nfs/dbraw/zinc/81/02/63/391810263.db2.gz FGLAUVUKFRMQDI-WDEREUQCSA-N -2 3 261.325 1.759 20 0 CDADHL Cc1csc(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])c1 ZINC000646045368 391935992 /nfs/dbraw/zinc/93/59/92/391935992.db2.gz PFHQUKFLAAEOMS-BDAKNGLRSA-N -2 3 289.378 1.588 20 0 CDADHL CCN(C(=O)c1ccc(OC)cc1[O-])[C@H](C)C(=O)[O-] ZINC000663126211 413972200 /nfs/dbraw/zinc/97/22/00/413972200.db2.gz VVFOBZHOUZPLQK-MRVPVSSYSA-N -2 3 267.281 1.336 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]CC2CCCC2)oc1C(=O)[O-] ZINC000663421592 414243796 /nfs/dbraw/zinc/24/37/96/414243796.db2.gz VGWCJHVUTUKZRN-UHFFFAOYSA-N -2 3 287.337 1.755 20 0 CDADHL COc1cc(C(=O)N=c2cc3ccccn3[n-]2)ccc1[O-] ZINC000553317860 290111453 /nfs/dbraw/zinc/11/14/53/290111453.db2.gz PXSQWLATWCLAAP-UHFFFAOYSA-N -2 3 283.287 1.723 20 0 CDADHL CCC[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000563231169 293319315 /nfs/dbraw/zinc/31/93/15/293319315.db2.gz BOUANMMIOXJTDJ-UHFFFAOYSA-N -2 3 275.301 1.521 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]C2CCSCC2)c1 ZINC000570960101 294342824 /nfs/dbraw/zinc/34/28/24/294342824.db2.gz QQQHUUCUJMNQFN-UHFFFAOYSA-N -2 3 291.350 1.152 20 0 CDADHL Cc1ccc(C(=O)N[C@]2(CC(=O)[O-])CCOC2)c([O-])c1 ZINC000262818372 301531906 /nfs/dbraw/zinc/53/19/06/301531906.db2.gz BLANBQSUKYFUOQ-AWEZNQCLSA-N -2 3 279.292 1.064 20 0 CDADHL CN(CC(=O)[O-])c1nc(C(C)(C)C)ccc1-c1nnn[n-]1 ZINC001591039260 1173565369 /nfs/dbraw/zinc/56/53/69/1173565369.db2.gz ZTVSMFOCPLQKSH-UHFFFAOYSA-N -2 3 290.327 1.080 20 0 CDADHL CN(CC(=O)[O-])c1nc(C(C)(C)C)ccc1-c1nn[n-]n1 ZINC001591039260 1173565373 /nfs/dbraw/zinc/56/53/73/1173565373.db2.gz ZTVSMFOCPLQKSH-UHFFFAOYSA-N -2 3 290.327 1.080 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]C2CCCCC2)c1 ZINC000566179194 316503496 /nfs/dbraw/zinc/50/34/96/316503496.db2.gz JYOIWOAKLINOPC-UHFFFAOYSA-N -2 3 273.310 1.589 20 0 CDADHL CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1cncc(F)c1 ZINC000050195991 519206822 /nfs/dbraw/zinc/20/68/22/519206822.db2.gz QVOHXBNCQSHATD-UHFFFAOYSA-N -2 3 290.316 1.142 20 0 CDADHL CCN(C(=O)c1ccc(OC)cc1[O-])C(C)(C)C(=O)[O-] ZINC000061149110 520088814 /nfs/dbraw/zinc/08/88/14/520088814.db2.gz LKHSSEUKRYLUGD-UHFFFAOYSA-N -2 3 281.308 1.726 20 0 CDADHL O=C([O-])[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000095142375 1174496322 /nfs/dbraw/zinc/49/63/22/1174496322.db2.gz IZVBPHHJSMDUCF-SSDOTTSWSA-N -2 3 293.714 1.431 20 0 CDADHL O=C([O-])[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000095142375 1174496327 /nfs/dbraw/zinc/49/63/27/1174496327.db2.gz IZVBPHHJSMDUCF-SSDOTTSWSA-N -2 3 293.714 1.431 20 0 CDADHL O=C([O-])[C@@H]1CSCCN(C(=O)c2ccccc2[O-])C1 ZINC001601856736 1175038905 /nfs/dbraw/zinc/03/89/05/1175038905.db2.gz SNOBLNIHMMBKAU-VIFPVBQESA-N -2 3 281.333 1.282 20 0 CDADHL CC(=O)Nc1ccc([O-])c(C(=O)NCC(C)(C)C(=O)[O-])c1 ZINC000825908201 601819725 /nfs/dbraw/zinc/81/97/25/601819725.db2.gz QZGOFHGPYSGRBW-UHFFFAOYSA-N -2 3 294.307 1.191 20 0 CDADHL CCc1cccc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)c1[O-] ZINC000830260146 602053115 /nfs/dbraw/zinc/05/31/15/602053115.db2.gz UFHGPXOUYDTIGA-HNNXBMFYSA-N -2 3 277.320 1.891 20 0 CDADHL O=C([O-])c1csc([N-]S(=O)(=O)N2CCCCC2)c1 ZINC000833343614 602118432 /nfs/dbraw/zinc/11/84/32/602118432.db2.gz JSZZMANWNCZPCG-UHFFFAOYSA-N -2 3 290.366 1.589 20 0 CDADHL O=C([N-]OC[C@H]1CCOC1)c1n[n-]c2ccccc2c1=O ZINC000788274195 628069640 /nfs/dbraw/zinc/06/96/40/628069640.db2.gz NIKYNRRSIQHHOM-VIFPVBQESA-N -2 3 289.291 1.033 20 0 CDADHL COc1cc(C(=O)N(CC(=O)[O-])C2CC2)cc(OC)c1[O-] ZINC000908889935 628401898 /nfs/dbraw/zinc/40/18/98/628401898.db2.gz ZRTZAVIOGXOYLO-UHFFFAOYSA-N -2 3 295.291 1.099 20 0 CDADHL CCC[C@@H](CNC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909813607 628690457 /nfs/dbraw/zinc/69/04/57/628690457.db2.gz LFKTXGWINPMOFM-JTQLQIEISA-N -2 3 283.299 1.691 20 0 CDADHL Cc1cccc(CO[N-]C(=O)CCCCC(=O)[O-])n1 ZINC000911820934 629549104 /nfs/dbraw/zinc/54/91/04/629549104.db2.gz DZVJMYPNAPEUCI-UHFFFAOYSA-N -2 3 266.297 1.583 20 0 CDADHL CCCO[N-]C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001604230190 1163129438 /nfs/dbraw/zinc/12/94/38/1163129438.db2.gz NTFQHEKBGRMUPJ-VIFPVBQESA-N -2 3 291.311 1.092 20 0 CDADHL CCCO[N-]C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001604230190 1163129442 /nfs/dbraw/zinc/12/94/42/1163129442.db2.gz NTFQHEKBGRMUPJ-VIFPVBQESA-N -2 3 291.311 1.092 20 0 CDADHL Cc1n[n-]cc1C(=O)O[C@H](C(=O)[O-])c1ccccc1 ZINC001607500341 1164210414 /nfs/dbraw/zinc/21/04/14/1164210414.db2.gz PYIPAGOUWJQTKD-NSHDSACASA-N -2 3 260.249 1.701 20 0 CDADHL COc1cccc([O-])c1C(=O)N1CC[C@H]2[C@@H](C(=O)[O-])[C@H]2C1 ZINC001574041844 1170870378 /nfs/dbraw/zinc/87/03/78/1170870378.db2.gz RJNHZTATFITTDE-VDDIYKPWSA-N -2 3 291.303 1.194 20 0 CDADHL C[C@H](CNc1c(F)cc(-c2nnn[n-]2)cc1F)C(=O)[O-] ZINC001589875934 1173193775 /nfs/dbraw/zinc/19/37/75/1173193775.db2.gz LXIIJQMWSATMLW-RXMQYKEDSA-N -2 3 283.238 1.278 20 0 CDADHL C[C@H](CNc1c(F)cc(-c2nn[n-]n2)cc1F)C(=O)[O-] ZINC001589875934 1173193777 /nfs/dbraw/zinc/19/37/77/1173193777.db2.gz LXIIJQMWSATMLW-RXMQYKEDSA-N -2 3 283.238 1.278 20 0 CDADHL O=C([O-])CCCCNc1ccc(-c2nn[n-]n2)cc1F ZINC001593278321 1174048979 /nfs/dbraw/zinc/04/89/79/1174048979.db2.gz YUPSKAJVPOAECK-UHFFFAOYSA-N -2 3 279.275 1.673 20 0 CDADHL Cc1ccc(C(=O)N[C@@H](CCF)C(=O)[O-])c([O-])c1 ZINC001600336419 1174447735 /nfs/dbraw/zinc/44/77/35/1174447735.db2.gz AHCZFWMSISTKJL-VIFPVBQESA-N -2 3 255.245 1.243 20 0 CDADHL Cc1ccc(F)c(C(=O)[N-]c2n[nH]c(CC(=O)[O-])n2)c1F ZINC001600427932 1174472102 /nfs/dbraw/zinc/47/21/02/1174472102.db2.gz DWVTYLBUKDIZMR-UHFFFAOYSA-N -2 3 296.233 1.271 20 0 CDADHL O=C([O-])[C@H](CF)NC(=O)c1cc2sccc2c([O-])c1 ZINC001601418839 1174865204 /nfs/dbraw/zinc/86/52/04/1174865204.db2.gz GRNDQJKPVGRNEE-QMMMGPOBSA-N -2 3 283.280 1.759 20 0 CDADHL O=C([O-])C12CC(C(=O)[N-]OCc3ccccc3)(C1)C2 ZINC001601729001 1174971513 /nfs/dbraw/zinc/97/15/13/1174971513.db2.gz XJGICOJRATZCJW-UHFFFAOYSA-N -2 3 261.277 1.489 20 0 CDADHL O=C([O-])c1coc(CN2CCC[C@@H](C(=O)[O-])C2)c1 ZINC001602551971 1175291740 /nfs/dbraw/zinc/29/17/40/1175291740.db2.gz XFJPXWLRLGFIBP-MRVPVSSYSA-N -2 3 253.254 1.274 20 0 CDADHL O=C([O-])CC1(NC(=O)c2cccc3n[n-]nc32)CCC1 ZINC001610756459 1165430431 /nfs/dbraw/zinc/43/04/31/1165430431.db2.gz GQSUMDFUYRLQIZ-UHFFFAOYSA-N -2 3 274.280 1.085 20 0 CDADHL COCCCO[N-]C(=O)c1n[n-]c2ccccc2c1=O ZINC000805042718 783190393 /nfs/dbraw/zinc/19/03/93/783190393.db2.gz DNGQZIJMLRKJDN-UHFFFAOYSA-N -2 3 277.280 1.033 20 0 CDADHL CC(C)Cn1[n-]c(CC(=O)[N-]OCC2CCC2)cc1=O ZINC000826627046 783329709 /nfs/dbraw/zinc/32/97/09/783329709.db2.gz CPKQXDJHLXTNMO-UHFFFAOYSA-N -2 3 281.356 1.223 20 0 CDADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c(C)cn1 ZINC001600282540 1167781126 /nfs/dbraw/zinc/78/11/26/1167781126.db2.gz ATTZIHPTFZPFAG-UHFFFAOYSA-N -2 3 296.304 1.212 20 0 CDADHL Cn1ccc(C(=O)Nc2ncccc2[O-])c1CC(=O)[O-] ZINC001177361204 914639410 /nfs/dbraw/zinc/63/94/10/914639410.db2.gz OLEHDSOPKLFHBQ-UHFFFAOYSA-N -2 3 275.264 1.005 20 0 CDADHL C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000716433462 910636736 /nfs/dbraw/zinc/63/67/36/910636736.db2.gz JVWVDOMUJHSGLL-HZQMYPQZSA-N -2 3 299.348 1.548 20 0 CDADHL O=c1cc([N-]S(=O)(=O)c2nccs2)nc(Cl)[n-]1 ZINC001187853419 920696303 /nfs/dbraw/zinc/69/63/03/920696303.db2.gz OLPMNHYBHYJPLR-UHFFFAOYSA-N -2 3 292.729 1.093 20 0 CDADHL COc1cscc1C(=O)NCCCCP(=O)([O-])[O-] ZINC001188312279 920965347 /nfs/dbraw/zinc/96/53/47/920965347.db2.gz KOHPDFDAVWWBLW-UHFFFAOYSA-N -2 3 293.281 1.444 20 0 CDADHL O=S(=O)([N-]c1cc([O-])c(F)cc1F)c1ncc[nH]1 ZINC001190721128 922152750 /nfs/dbraw/zinc/15/27/50/922152750.db2.gz DETSLUUTFLVUGP-UHFFFAOYSA-N -2 3 275.236 1.194 20 0 CDADHL O=C(NCCP(=O)([O-])[O-])Nc1ccc(F)cc1 ZINC001202359977 926544470 /nfs/dbraw/zinc/54/44/70/926544470.db2.gz WEJDKAZKJZWFCY-UHFFFAOYSA-N -2 3 262.177 1.125 20 0 CDADHL [S-]c1cc([S-])cc(NC[C@H]2COCCN2)c1 ZINC001170043066 929127934 /nfs/dbraw/zinc/12/79/34/929127934.db2.gz DWZWVMLKENGPSB-VIFPVBQESA-N -2 3 256.396 1.664 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C2CCC=CCC2)o1 ZINC000718066590 934760453 /nfs/dbraw/zinc/76/04/53/934760453.db2.gz DAGCYRQKAZEQKR-UHFFFAOYSA-N -2 3 285.321 1.755 20 0 CDADHL COC[C@H](C)OC[C@@H](C)OCCCCP(=O)([O-])[O-] ZINC001225019651 941814649 /nfs/dbraw/zinc/81/46/49/941814649.db2.gz ZKTZMMQLTZXOHE-WDEREUQCSA-N -2 3 284.289 1.401 20 0 CDADHL C[C@H]1C[C@H](Oc2nc(=O)[n-]c(=O)[n-]2)CC(C)(C)C1 ZINC001227569230 942190534 /nfs/dbraw/zinc/19/05/34/942190534.db2.gz VWADNNGZZIMZOM-YUMQZZPRSA-N -2 3 253.302 1.876 20 0 CDADHL O=c1nc2cn[n-]c2c(O[C@H]2CCOc3ccccc32)[n-]1 ZINC001233940222 943696852 /nfs/dbraw/zinc/69/68/52/943696852.db2.gz TXIFMZMRJFXGJY-NSHDSACASA-N -2 3 284.275 1.549 20 0 CDADHL O=C([O-])Cc1ccc(-c2cncc(-c3nnn[n-]3)c2)cc1 ZINC001240975555 946122749 /nfs/dbraw/zinc/12/27/49/946122749.db2.gz RUWDPSJNBAUNBF-UHFFFAOYSA-N -2 3 281.275 1.556 20 0 CDADHL O=C([O-])Cc1ccc(-c2cncc(-c3nn[n-]n3)c2)cc1 ZINC001240975555 946122755 /nfs/dbraw/zinc/12/27/55/946122755.db2.gz RUWDPSJNBAUNBF-UHFFFAOYSA-N -2 3 281.275 1.556 20 0 CDADHL O=C([O-])CN(Cc1nc(=O)c2sccc2[n-]1)CC1CC1 ZINC000036885833 948816528 /nfs/dbraw/zinc/81/65/28/948816528.db2.gz SMVKFMOPPHXZLK-UHFFFAOYSA-N -2 3 293.348 1.694 20 0 CDADHL COC(=O)c1ccc([N-]S(=O)(=O)C(F)(F)F)c([O-])c1 ZINC001252353162 951204608 /nfs/dbraw/zinc/20/46/08/951204608.db2.gz PYFHMOKHBMLEMX-UHFFFAOYSA-N -2 3 299.226 1.440 20 0 CDADHL CC(C)(C)c1cc(C(=O)NCc2nc([O-])cc(=O)[n-]2)no1 ZINC001363042049 971839928 /nfs/dbraw/zinc/83/99/28/971839928.db2.gz WQNIIGUGSAEYNF-UHFFFAOYSA-N -2 3 292.295 1.103 20 0 CDADHL O=C([O-])[C@@H]1C[C@H](NC(=O)c2cc(=O)[n-]cn2)c2ccccc21 ZINC001594726885 957013962 /nfs/dbraw/zinc/01/39/62/957013962.db2.gz PCHVALRKJYGXFX-MNOVXSKESA-N -2 3 299.286 1.225 20 0 CDADHL CC(C)c1nsc([N-]C(=O)c2cnc(C(=O)[O-])cn2)n1 ZINC001573568546 959302269 /nfs/dbraw/zinc/30/22/69/959302269.db2.gz RYESVULZOOTDBJ-UHFFFAOYSA-N -2 3 293.308 1.402 20 0 CDADHL Cc1ccc(NC(=O)c2cc(=O)[n-]cn2)cc1C(=O)[O-] ZINC001570999713 963211850 /nfs/dbraw/zinc/21/18/50/963211850.db2.gz OYLMJFSYMFJDBC-UHFFFAOYSA-N -2 3 273.248 1.441 20 0 CDADHL CC(C)c1occc1C(=O)NCc1nc([O-])cc(=O)[n-]1 ZINC001470583042 970349140 /nfs/dbraw/zinc/34/91/40/970349140.db2.gz MJXJYALOOIKENF-UHFFFAOYSA-N -2 3 277.280 1.534 20 0 CDADHL O=C([O-])C1CC2(C1)CC[C@@H](CNc1cc(=O)[n-]cn1)O2 ZINC001605987931 973042032 /nfs/dbraw/zinc/04/20/32/973042032.db2.gz OZYJMZVODIQRHG-JVVWGOMOSA-N -2 3 279.296 1.007 20 0 CDADHL CC(C)OCCO[N-]C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001591727149 975694990 /nfs/dbraw/zinc/69/49/90/975694990.db2.gz YXNCRCBOMQFENX-UHFFFAOYSA-N -2 3 285.340 1.494 20 0 CDADHL O=C([O-])C1=CC[C@H]([N-]C(=O)C(F)(F)C(F)F)C1 ZINC000695026802 976770117 /nfs/dbraw/zinc/77/01/17/976770117.db2.gz YWVMTRZEIIBZBY-YFKPBYRVSA-N -2 3 255.167 1.176 20 0 CDADHL CO[C@@H]1CN(C(=O)c2ccccc2[O-])[C@@](C)(C(=O)[O-])C1 ZINC000702725715 977106777 /nfs/dbraw/zinc/10/67/77/977106777.db2.gz CPKLUWBYHCNUHY-LKFCYVNXSA-N -2 3 279.292 1.096 20 0 CDADHL CC1([N-]S(=O)(=O)c2occc2C(=O)[O-])CCCCC1 ZINC000871994391 980026733 /nfs/dbraw/zinc/02/67/33/980026733.db2.gz ZQSFYQBOCAUFPZ-UHFFFAOYSA-N -2 3 287.337 1.979 20 0 CDADHL CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1cscn1)C(=O)[O-] ZINC001594952608 982670788 /nfs/dbraw/zinc/67/07/88/982670788.db2.gz JZCKPGOKJDJAGJ-JGVFFNPUSA-N -2 3 292.382 1.311 20 0 CDADHL CCN(C(=O)c1ccc(C(C)=O)c([O-])c1)C(C)(C)C(=O)[O-] ZINC001596167239 983531715 /nfs/dbraw/zinc/53/17/15/983531715.db2.gz MDBWQVOPFHZKJG-UHFFFAOYSA-N -2 3 293.319 1.920 20 0 CDADHL C[C@H]1CN(Cc2ccc(C(=O)[O-])[nH]2)CC[C@H]1C(=O)[O-] ZINC001594538381 986167776 /nfs/dbraw/zinc/16/77/76/986167776.db2.gz NOOFCZRTHXSOIN-WCBMZHEXSA-N -2 3 266.297 1.256 20 0 CDADHL CC[C@](C)(C[N-]S(=O)(=O)c1occc1C(=O)[O-])OC ZINC001604907080 1163377174 /nfs/dbraw/zinc/37/71/74/1163377174.db2.gz UJPSIHQABMJSRO-LLVKDONJSA-N -2 3 291.325 1.071 20 0 CDADHL C[C@@H](OC(=O)c1cc2occc2[n-]1)C(=O)C(C)(C)C(=O)[O-] ZINC001593573817 995675923 /nfs/dbraw/zinc/67/59/23/995675923.db2.gz XBMDSXWJCXAECJ-SSDOTTSWSA-N -2 3 293.275 1.986 20 0 CDADHL CCC[C@@](C)(NC(=O)Cc1c(C)nc(C)[n-]c1=O)C(=O)[O-] ZINC001605198379 1163483430 /nfs/dbraw/zinc/48/34/30/1163483430.db2.gz OBUOHTTWBHKTPO-CQSZACIVSA-N -2 3 295.339 1.101 20 0 CDADHL Cn1cnc(S(=O)(=O)[N-]c2cccc([O-])c2F)c1 ZINC000534317805 282186098 /nfs/dbraw/zinc/18/60/98/282186098.db2.gz NRCPNANKSUMVOX-UHFFFAOYSA-N -2 3 271.273 1.066 20 0 CDADHL CC(C)(C)OC(=O)C1(C(=O)N=c2ccc([O-])n[n-]2)CCC1 ZINC000598830321 343913110 /nfs/dbraw/zinc/91/31/10/343913110.db2.gz CDYCTLXJCFACLY-UHFFFAOYSA-N -2 3 293.323 1.055 20 0 CDADHL CCc1c(C)[n-]n(-c2cn[n-]c(=O)c2Cl)c1=O ZINC000614186161 348029062 /nfs/dbraw/zinc/02/90/62/348029062.db2.gz WJYVIOOLLNYZNN-LURJTMIESA-N -2 3 254.677 1.584 20 0 CDADHL Cc1ccc([O-])c(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000111250085 186376680 /nfs/dbraw/zinc/37/66/80/186376680.db2.gz NCPPEXYGIFJKIM-MWLCHTKSSA-N -2 3 263.293 1.493 20 0 CDADHL CCCc1[n-]n(-c2nnc(C)c(=O)[n-]2)c(=O)c1CC ZINC000634586224 356465954 /nfs/dbraw/zinc/46/59/54/356465954.db2.gz FMHGSWGFZAWYMA-QMMMGPOBSA-N -2 3 263.301 1.415 20 0 CDADHL C/C=C\C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000634653263 356640430 /nfs/dbraw/zinc/64/04/30/356640430.db2.gz OWRSSDKAZAPRMH-ZMWSMAPVSA-N -2 3 287.312 1.523 20 0 CDADHL Cc1ccc(C(=O)N(CC(=O)[O-])C(C)C)c([O-])c1 ZINC000037993479 356951230 /nfs/dbraw/zinc/95/12/30/356951230.db2.gz VSARLLHMAFLIAW-UHFFFAOYSA-N -2 3 251.282 1.636 20 0 CDADHL CCC[C@@H](CNC(=O)c1ccc2n[n-]nc2c1)C(=O)[O-] ZINC000087487080 357296338 /nfs/dbraw/zinc/29/63/38/357296338.db2.gz JCTHGUIBXZHJGQ-VIFPVBQESA-N -2 3 276.296 1.189 20 0 CDADHL CC[C@H](C)[C@H](NC(=O)c1cccc(OC)c1[O-])C(=O)[O-] ZINC000019440005 358062743 /nfs/dbraw/zinc/06/27/43/358062743.db2.gz HBPUCTXUYSZCBW-KWQFWETISA-N -2 3 281.308 1.630 20 0 CDADHL O=C([O-])CCCCCCC[N-]S(=O)(=O)c1ccco1 ZINC000277319672 366404931 /nfs/dbraw/zinc/40/49/31/366404931.db2.gz UHUBGNMLLXQOLV-UHFFFAOYSA-N -2 3 289.353 1.983 20 0 CDADHL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000277365159 366424883 /nfs/dbraw/zinc/42/48/83/366424883.db2.gz YTMCKOJTKWOLME-QMMMGPOBSA-N -2 3 261.299 1.057 20 0 CDADHL CC[C@@](C)(C[N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000217098500 358979283 /nfs/dbraw/zinc/97/92/83/358979283.db2.gz BPRUFFZAJIVSPR-LBPRGKRZSA-N -2 3 289.328 1.605 20 0 CDADHL O=C([O-])[C@@H]1CCC[C@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000634824241 359406529 /nfs/dbraw/zinc/40/65/29/359406529.db2.gz OLMCNNPHSLNHQX-RKDXNWHRSA-N -2 3 267.256 1.971 20 0 CDADHL Cc1ncc(CNC(=O)c2c([O-])cccc2F)c(=O)[n-]1 ZINC000436921140 361608650 /nfs/dbraw/zinc/60/86/50/361608650.db2.gz UPLJRTOROANYDE-UHFFFAOYSA-N -2 3 277.255 1.265 20 0 CDADHL O=C(c1ccccc1[O-])N1CCc2c(=O)[n-]cnc2C1 ZINC000436833635 361586775 /nfs/dbraw/zinc/58/67/75/361586775.db2.gz WGNJSBYOJISDJT-UHFFFAOYSA-N -2 3 271.276 1.086 20 0 CDADHL Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@H](C(=O)[O-])C2)n1 ZINC000566361960 370696989 /nfs/dbraw/zinc/69/69/89/370696989.db2.gz MIAKFGUSWYCMIW-UWVGGRQHSA-N -2 3 265.313 1.348 20 0 CDADHL CCc1ccc([O-])c(C(=O)N(C)[C@@H](C)C(=O)[O-])c1 ZINC000263572083 369351518 /nfs/dbraw/zinc/35/15/18/369351518.db2.gz KJVMAKJSJARDJX-QMMMGPOBSA-N -2 3 251.282 1.500 20 0 CDADHL Cc1ccc([O-])c(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)c1 ZINC000491071499 253061243 /nfs/dbraw/zinc/06/12/43/253061243.db2.gz XLFLNCXMJYQFDM-UHFFFAOYSA-N -2 3 297.261 1.710 20 0 CDADHL CCc1ncc(S(=O)(=O)[N-]CCCCC(=O)[O-])s1 ZINC000548569321 393326740 /nfs/dbraw/zinc/32/67/40/393326740.db2.gz IJMYZOBAGFPGCD-UHFFFAOYSA-N -2 3 292.382 1.239 20 0 CDADHL O=C(N=c1ccc([O-])n[n-]1)c1ccc2c(c1)CCC=C2 ZINC000343717246 152276630 /nfs/dbraw/zinc/27/66/30/152276630.db2.gz SFOORMOKJWMXQH-UHFFFAOYSA-N -2 3 267.288 1.816 20 0 CDADHL O=C(N=c1ccc([O-])n[n-]1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000361956898 159023893 /nfs/dbraw/zinc/02/38/93/159023893.db2.gz HDVFSQHUOIMCBF-WDEREUQCSA-N -2 3 273.267 1.485 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)CC(C)C)oc1C(=O)[O-] ZINC000663422563 414245386 /nfs/dbraw/zinc/24/53/86/414245386.db2.gz LGKOJGFRNBIADX-VIFPVBQESA-N -2 3 289.353 1.999 20 0 CDADHL O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000043583244 175070356 /nfs/dbraw/zinc/07/03/56/175070356.db2.gz VYTRFPLENLGPRO-JTQLQIEISA-N -2 3 293.319 1.815 20 0 CDADHL CC(C)C[C@H](CN=c1ncnc2[nH][n-]cc1-2)CC(=O)[O-] ZINC000652534526 424526264 /nfs/dbraw/zinc/52/62/64/424526264.db2.gz CGUQYPFXYLNGHF-VIFPVBQESA-N -2 3 277.328 1.275 20 0 CDADHL COc1ccsc1S(=O)(=O)[N-][C@H](C)[C@@H](C)C(=O)[O-] ZINC000556702044 290284664 /nfs/dbraw/zinc/28/46/64/290284664.db2.gz BOSGBMUYGZANGU-RNFRBKRXSA-N -2 3 293.366 1.144 20 0 CDADHL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)[C@H]1CCOC1 ZINC000274886299 301957649 /nfs/dbraw/zinc/95/76/49/301957649.db2.gz DYOXBSSLJDEKTK-VIFPVBQESA-N -2 3 285.321 1.224 20 0 CDADHL CCC1([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CCC1 ZINC000566175939 316502403 /nfs/dbraw/zinc/50/24/03/316502403.db2.gz DSZYXEMBOICSRQ-UHFFFAOYSA-N -2 3 273.310 1.589 20 0 CDADHL O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000583626391 325209575 /nfs/dbraw/zinc/20/95/75/325209575.db2.gz PVKPLTQGJHBAEZ-IZLXSQMJSA-N -2 3 295.769 1.543 20 0 CDADHL Cc1cccc(C(=O)N(C)C(C)(C)C(=O)[O-])c1[O-] ZINC000061150110 524160725 /nfs/dbraw/zinc/16/07/25/524160725.db2.gz YRSDNCRUZTVQBA-UHFFFAOYSA-N -2 3 251.282 1.636 20 0 CDADHL CS(=O)(=O)[N-]c1cc(F)c(F)cc1C(=O)[O-] ZINC000061564206 525214985 /nfs/dbraw/zinc/21/49/85/525214985.db2.gz NGBDDIAPUNSWSN-UHFFFAOYSA-N -2 3 251.210 1.035 20 0 CDADHL O=C([O-])c1ccccc1CC(=O)[N-]OC/C=C/Cl ZINC001601368520 1174846691 /nfs/dbraw/zinc/84/66/91/1174846691.db2.gz WYWLXKHUINCDRQ-ZZXKWVIFSA-N -2 3 269.684 1.728 20 0 CDADHL O=C([N-]Cc1nn[n-]n1)C(F)(F)c1cccc(Cl)c1 ZINC000732158093 575081828 /nfs/dbraw/zinc/08/18/28/575081828.db2.gz SIOWIYIYMBYORN-UHFFFAOYSA-N -2 3 287.657 1.261 20 0 CDADHL O=C([O-])NCc1ccc(N=c2ncnc3[nH][n-]cc2-3)cc1 ZINC000740001787 576409675 /nfs/dbraw/zinc/40/96/75/576409675.db2.gz QMTSYSGTBFXMRS-UHFFFAOYSA-N -2 3 284.279 1.238 20 0 CDADHL CC(C)C[C@@H](NC(=O)[O-])C(=O)NCc1ccc([O-])c(F)c1 ZINC000736417562 575652594 /nfs/dbraw/zinc/65/25/94/575652594.db2.gz WAOGWLAEFUGPSP-LLVKDONJSA-N -2 3 298.314 1.830 20 0 CDADHL CSc1nc(=O)[n-]c(C)c1C(=O)[N-]OCC(F)F ZINC000760146354 576461580 /nfs/dbraw/zinc/46/15/80/576461580.db2.gz HZVXKIQWTBRNRI-UHFFFAOYSA-N -2 3 279.268 1.139 20 0 CDADHL [O-]C(=NOCCC(F)(F)F)N=c1cn[n-]s1 ZINC000755338836 576940793 /nfs/dbraw/zinc/94/07/93/576940793.db2.gz VUIJYSGEJJIVBS-UHFFFAOYSA-N -2 3 256.209 1.544 20 0 CDADHL Cc1ccc([O-])c(NC(=O)c2n[n-]c3ccccc3c2=O)n1 ZINC000753472181 577171364 /nfs/dbraw/zinc/17/13/64/577171364.db2.gz ZEWNJBBTYMXHMS-UHFFFAOYSA-N -2 3 296.286 1.997 20 0 CDADHL Cc1ccc([O-])c(NC(=O)c2nnc3ccccc3c2[O-])n1 ZINC000753472181 577171367 /nfs/dbraw/zinc/17/13/67/577171367.db2.gz ZEWNJBBTYMXHMS-UHFFFAOYSA-N -2 3 296.286 1.997 20 0 CDADHL CC(C)[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C(=O)[O-] ZINC000037432653 597020681 /nfs/dbraw/zinc/02/06/81/597020681.db2.gz FWNHOOGWTWSDSL-ZDUSSCGKSA-N -2 3 288.303 1.367 20 0 CDADHL C[C@@H]([N-]C(=O)C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC000820316082 599530382 /nfs/dbraw/zinc/53/03/82/599530382.db2.gz SEUSIWWOZCZGTF-ZCFIWIBFSA-N -2 3 285.229 1.606 20 0 CDADHL COc1cccc(C(=O)Nc2cc(C)[nH]c2C(=O)[O-])c1[O-] ZINC000163369164 600250974 /nfs/dbraw/zinc/25/09/74/600250974.db2.gz IXNZGVLTWNUWLC-UHFFFAOYSA-N -2 3 290.275 1.988 20 0 CDADHL O=C([O-])C1(CNC(=O)c2ccccc2[O-])CCCC1 ZINC000137818840 601602658 /nfs/dbraw/zinc/60/26/58/601602658.db2.gz WTDTUQPQQUEMKG-UHFFFAOYSA-N -2 3 263.293 1.767 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]C2CC=CC2)cc1C(=O)[O-] ZINC000833028887 601964492 /nfs/dbraw/zinc/96/44/92/601964492.db2.gz SCDSPHBHYGYWOY-UHFFFAOYSA-N -2 3 271.294 1.283 20 0 CDADHL C[C@@H]1CC=CC[C@H]1[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000903554218 626024035 /nfs/dbraw/zinc/02/40/35/626024035.db2.gz KDJBHNMTSNUVQO-PSASIEDQSA-N -2 3 285.321 1.611 20 0 CDADHL O=C([O-])C12CCC(C(=O)[N-]OCC(F)F)(CC1)C2 ZINC000911801706 629530765 /nfs/dbraw/zinc/53/07/65/629530765.db2.gz CNDGAPYOQXLLFN-UHFFFAOYSA-N -2 3 263.240 1.334 20 0 CDADHL CC[C@H](C(=O)[O-])N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000095273568 1166614616 /nfs/dbraw/zinc/61/46/16/1166614616.db2.gz WGFNYJFHZWCANH-SECBINFHSA-N -2 3 279.275 1.305 20 0 CDADHL O=C([O-])[C@@H]1C[C@@H]2CCC[C@@H]2N1C(=O)c1ccccc1[O-] ZINC001574928184 1171053300 /nfs/dbraw/zinc/05/33/00/1171053300.db2.gz JHLCYFLAEMLOOO-DLOVCJGASA-N -2 3 275.304 1.860 20 0 CDADHL O=C([O-])CCCCNc1ccc(F)cc1-c1nnn[n-]1 ZINC001593278171 1174046464 /nfs/dbraw/zinc/04/64/64/1174046464.db2.gz UGSDJLBGJXOHNS-UHFFFAOYSA-N -2 3 279.275 1.673 20 0 CDADHL O=C([O-])CCCCNc1ccc(F)cc1-c1nn[n-]n1 ZINC001593278171 1174046471 /nfs/dbraw/zinc/04/64/71/1174046471.db2.gz UGSDJLBGJXOHNS-UHFFFAOYSA-N -2 3 279.275 1.673 20 0 CDADHL Cc1cccc([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c1F ZINC001600542428 1174501019 /nfs/dbraw/zinc/50/10/19/1174501019.db2.gz NVUNWOQGCKYMMX-UHFFFAOYSA-N -2 3 289.328 1.987 20 0 CDADHL Nc1c(NC(=O)c2cccc3n[n-]nc32)cccc1C(=O)[O-] ZINC001601209531 1174789922 /nfs/dbraw/zinc/78/99/22/1174789922.db2.gz SMFJNRJSRBVTNJ-UHFFFAOYSA-N -2 3 297.274 1.491 20 0 CDADHL O=C([O-])C[C@@H](Cc1ccccc1)N=c1ncnc2[nH][n-]cc1-2 ZINC001602104745 1175131438 /nfs/dbraw/zinc/13/14/38/1175131438.db2.gz OHPYWGYABYPSSV-LLVKDONJSA-N -2 3 297.318 1.224 20 0 CDADHL O=C([O-])[C@H](OC(=O)c1cnn[n-]1)c1c(F)cccc1Cl ZINC001602601422 1175317260 /nfs/dbraw/zinc/31/72/60/1175317260.db2.gz KXHHLMMJCCELAY-SECBINFHSA-N -2 3 299.645 1.580 20 0 CDADHL O=C([O-])[C@H](OC(=O)c1c[n-]nn1)c1c(F)cccc1Cl ZINC001602601422 1175317265 /nfs/dbraw/zinc/31/72/65/1175317265.db2.gz KXHHLMMJCCELAY-SECBINFHSA-N -2 3 299.645 1.580 20 0 CDADHL O=C([O-])COc1ccccc1CN[C@@H]1C=C[C@@H](C(=O)[O-])C1 ZINC001608765640 1164630829 /nfs/dbraw/zinc/63/08/29/1164630829.db2.gz NRVLJOFDXCBBLN-ZYHUDNBSSA-N -2 3 291.303 1.269 20 0 CDADHL Cc1nc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc(=O)[n-]1 ZINC001176237053 914003668 /nfs/dbraw/zinc/00/36/68/914003668.db2.gz VAUXDFTYPANXQP-UHFFFAOYSA-N -3 3 289.247 1.631 20 0 CDADHL C=CC(=O)OC[C@@H](C)Oc1nc2ncnc-2c([S-])[n-]1 ZINC001226784727 905626283 /nfs/dbraw/zinc/62/62/83/905626283.db2.gz IBBIORXSRAJJAN-ZCFIWIBFSA-N -2 3 280.309 1.138 20 0 CDADHL O=S(=O)(CC1CC1)[N-]c1c([O-])cc(F)cc1F ZINC001188963632 921242843 /nfs/dbraw/zinc/24/28/43/921242843.db2.gz JKJGJKDTMMFBIO-UHFFFAOYSA-N -2 3 263.265 1.822 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])[C@@H]1Cc2ccccc2O1 ZINC001178945631 915696816 /nfs/dbraw/zinc/69/68/16/915696816.db2.gz ZAFOLFWJIOSEHO-LBPRGKRZSA-N -2 3 299.263 1.064 20 0 CDADHL CC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cnc(C)s1 ZINC000829835196 936434735 /nfs/dbraw/zinc/43/47/35/936434735.db2.gz ZBKMCTHDRRJHNL-JTQLQIEISA-N -2 3 292.382 1.373 20 0 CDADHL O=S(=O)([N-]c1cncc([O-])c1)c1ccc(Cl)nc1 ZINC001185650554 919691535 /nfs/dbraw/zinc/69/15/35/919691535.db2.gz ZFBAIKQNOIBGGO-UHFFFAOYSA-N -2 3 285.712 1.636 20 0 CDADHL O=C([O-])[C@@H]1CC[C@@H]1NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000923142399 923568178 /nfs/dbraw/zinc/56/81/78/923568178.db2.gz RTAFAFJYNSMYOG-PWSUYJOCSA-N -2 3 295.310 1.833 20 0 CDADHL O=C([N-]O[C@H]1CCCCO1)c1n[n-]c2ccccc2c1=O ZINC000109961320 927556753 /nfs/dbraw/zinc/55/67/53/927556753.db2.gz YGMLMJLUHUCEGQ-NSHDSACASA-N -2 3 289.291 1.111 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1cc2ncccc2o1 ZINC001153704356 937462603 /nfs/dbraw/zinc/46/26/03/937462603.db2.gz FJLMSMPTGDCJRT-UHFFFAOYSA-N -2 3 298.235 1.516 20 0 CDADHL Cc1nc(C)c(C(=O)NCCCCP(=O)([O-])[O-])s1 ZINC001147241881 932456219 /nfs/dbraw/zinc/45/62/19/932456219.db2.gz CDUXAEWDCZFEPP-UHFFFAOYSA-N -2 3 292.297 1.448 20 0 CDADHL O=C(c1cccc(F)c1[O-])N1CCC[C@H](c2nn[n-]n2)C1 ZINC000935036436 934017722 /nfs/dbraw/zinc/01/77/22/934017722.db2.gz COTSNDXWYWSIMC-QMMMGPOBSA-N -2 3 291.286 1.064 20 0 CDADHL COC(=O)[C@@H](OCCP(=O)([O-])[O-])c1ccccc1 ZINC001224605756 941775040 /nfs/dbraw/zinc/77/50/40/941775040.db2.gz KJENGQFTGHLRHO-JTQLQIEISA-N -2 3 274.209 1.095 20 0 CDADHL COC(=O)[C@@H]1CCC[C@@H](OCCCCP(=O)([O-])[O-])C1 ZINC001225018776 941814885 /nfs/dbraw/zinc/81/48/85/941814885.db2.gz HPSAZENNKDRXRU-GHMZBOCLSA-N -2 3 294.284 1.693 20 0 CDADHL COC(=O)[C@@H]1CCC[C@@H]1OCCCCP(=O)([O-])[O-] ZINC001225018592 941815147 /nfs/dbraw/zinc/81/51/47/941815147.db2.gz BNQYLHDGCLNQSA-ZJUUUORDSA-N -2 3 280.257 1.303 20 0 CDADHL COc1cccc(OC[C@H](C)Oc2nc(=O)[n-]c(=O)[n-]2)c1 ZINC001227569516 942191024 /nfs/dbraw/zinc/19/10/24/942191024.db2.gz CELWZBOEZHFWKS-QMMMGPOBSA-N -2 3 293.279 1.138 20 0 CDADHL CO[C@@H](COc1nc(=O)[n-]c(=O)[n-]1)c1ccccc1 ZINC001227568523 942191205 /nfs/dbraw/zinc/19/12/05/942191205.db2.gz NMVFLHKNERXXES-VIFPVBQESA-N -2 3 263.253 1.049 20 0 CDADHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]C2(CF)CC2)c1 ZINC001260208972 945806717 /nfs/dbraw/zinc/80/67/17/945806717.db2.gz MVBYLTVJQNUPIZ-UHFFFAOYSA-N -2 3 291.275 1.304 20 0 CDADHL Cc1cc2c(c(-c3cc(F)ccc3[O-])n1)C(=O)[N-]C2=O ZINC001240696073 945994671 /nfs/dbraw/zinc/99/46/71/945994671.db2.gz YWMKXXIJKZTSEZ-UHFFFAOYSA-N -2 3 272.235 1.785 20 0 CDADHL O=c1cc(COCc2ccccc2)[n-]n1-c1cc(=O)[n-]cn1 ZINC001245922363 947845872 /nfs/dbraw/zinc/84/58/72/947845872.db2.gz CPPTZCUDEYEMMF-UHFFFAOYSA-N -2 3 298.302 1.790 20 0 CDADHL O=C([O-])[C@@H]1CC[C@H](NC(=O)c2c([O-])cccc2O)C1 ZINC000230911607 949735406 /nfs/dbraw/zinc/73/54/06/949735406.db2.gz VRTXMEPXNHAAPK-SFYZADRCSA-N -2 3 265.265 1.081 20 0 CDADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)C(C)C ZINC001252535163 951420871 /nfs/dbraw/zinc/42/08/71/951420871.db2.gz GGAVFZLHXCXYTP-UHFFFAOYSA-N -2 3 273.310 1.329 20 0 CDADHL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC001589269493 953402993 /nfs/dbraw/zinc/40/29/93/953402993.db2.gz YNNRHOOKMMSRJW-MWLCHTKSSA-N -2 3 295.310 1.643 20 0 CDADHL O=C([O-])c1ccc(/C=C\C(=O)[N-]OCC(F)(F)F)o1 ZINC001594672325 956623851 /nfs/dbraw/zinc/62/38/51/956623851.db2.gz GSFGNSIFGAKBGC-RQOWECAXSA-N -2 3 279.170 1.601 20 0 CDADHL O=C([O-])c1ccccc1CNC(=O)c1c([O-])cccc1O ZINC001574815286 957885888 /nfs/dbraw/zinc/88/58/88/957885888.db2.gz OQCYKDKWOOGCKL-UHFFFAOYSA-N -2 3 287.271 1.726 20 0 CDADHL CC(C)(C)CC[C@H](NC(=O)c1c[n-]ncc1=O)C(=O)[O-] ZINC001573424435 958784099 /nfs/dbraw/zinc/78/40/99/958784099.db2.gz IUNUTCJZPAYWLS-VIFPVBQESA-N -2 3 281.312 1.192 20 0 CDADHL Cc1cccc([O-])c1C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC001594408386 958922613 /nfs/dbraw/zinc/92/26/13/958922613.db2.gz HIPDATFOWHSMQE-UHFFFAOYSA-N -2 3 293.319 1.312 20 0 CDADHL CN(C(=O)c1ccc(C(F)(F)F)cc1[O-])c1nnn[n-]1 ZINC001418620660 960806633 /nfs/dbraw/zinc/80/66/33/960806633.db2.gz PEGNJXMYPPCVSV-UHFFFAOYSA-N -2 3 287.201 1.201 20 0 CDADHL CN(C(=O)c1ccc(C(F)(F)F)cc1[O-])c1nn[n-]n1 ZINC001418620660 960806664 /nfs/dbraw/zinc/80/66/64/960806664.db2.gz PEGNJXMYPPCVSV-UHFFFAOYSA-N -2 3 287.201 1.201 20 0 CDADHL CCOc1nnc(NC(=O)c2ccc(C(=O)[O-])cc2)[n-]1 ZINC001573807151 960860279 /nfs/dbraw/zinc/86/02/79/960860279.db2.gz FKYOJVKRAREIBO-UHFFFAOYSA-N -2 3 276.252 1.154 20 0 CDADHL CCOc1nc(NC(=O)c2ccc(C(=O)[O-])cc2)n[n-]1 ZINC001573807151 960860297 /nfs/dbraw/zinc/86/02/97/960860297.db2.gz FKYOJVKRAREIBO-UHFFFAOYSA-N -2 3 276.252 1.154 20 0 CDADHL CCOc1n[n-]c(NC(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC001573807151 960860318 /nfs/dbraw/zinc/86/03/18/960860318.db2.gz FKYOJVKRAREIBO-UHFFFAOYSA-N -2 3 276.252 1.154 20 0 CDADHL CC(C)[C@H](C(=O)[O-])C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001588809165 961506084 /nfs/dbraw/zinc/50/60/84/961506084.db2.gz CUCHBRSYVMKLTP-BYPYZUCNSA-N -2 3 280.206 1.119 20 0 CDADHL CC(C)[C@H](C(=O)[O-])C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC001588809165 961506094 /nfs/dbraw/zinc/50/60/94/961506094.db2.gz CUCHBRSYVMKLTP-BYPYZUCNSA-N -2 3 280.206 1.119 20 0 CDADHL CC[C@H](C)CO[N-]C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000848120274 968734419 /nfs/dbraw/zinc/73/44/19/968734419.db2.gz CLEMIAZNROPXNQ-QMMMGPOBSA-N -2 3 265.313 1.767 20 0 CDADHL CC1(C)CC([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000694192603 976679385 /nfs/dbraw/zinc/67/93/85/976679385.db2.gz SFZVNRFJQWFOMF-UHFFFAOYSA-N -2 3 273.310 1.445 20 0 CDADHL Cc1cccc([O-])c1C(=O)NCCCCC(=O)[O-] ZINC000706577060 977355132 /nfs/dbraw/zinc/35/51/32/977355132.db2.gz AHMMLXXYDHKBHK-UHFFFAOYSA-N -2 3 251.282 1.685 20 0 CDADHL CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)c1cccc2n[n-]nc21 ZINC001589704187 987808969 /nfs/dbraw/zinc/80/89/69/987808969.db2.gz DLADQHWHALQZFK-SNVBAGLBSA-N -2 3 290.323 1.577 20 0 CDADHL CCc1ccc(C(=O)N[C@@H]2C[C@H](C(=O)[O-])[C@H]3C[C@H]32)c([O-])c1 ZINC001597501152 988066486 /nfs/dbraw/zinc/06/64/86/988066486.db2.gz VXEXVQLJNDCITI-QNWHQSFQSA-N -2 3 289.331 1.794 20 0 CDADHL CCc1cccc(C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])c1[O-] ZINC001597570676 988349362 /nfs/dbraw/zinc/34/93/62/988349362.db2.gz XNLUSCHFAPBKLW-VXGBXAGGSA-N -2 3 293.319 1.005 20 0 CDADHL CCc1ncc(C(=O)[N-]c2nc(C(=O)[O-])ns2)s1 ZINC001597697120 988904004 /nfs/dbraw/zinc/90/40/04/988904004.db2.gz JBDDXRVUIDAAFO-UHFFFAOYSA-N -2 3 284.322 1.508 20 0 CDADHL CO[C@H](C)CS(=O)(=O)[N-]c1c(C)csc1C(=O)[O-] ZINC001599038014 999097983 /nfs/dbraw/zinc/09/79/83/999097983.db2.gz UTTWOMOTBSBYSG-SSDOTTSWSA-N -2 3 293.366 1.531 20 0 CDADHL CCc1ccc(C(=O)N[C@H](CSC)C(=O)[O-])c([O-])c1 ZINC001573827981 1170792662 /nfs/dbraw/zinc/79/26/62/1170792662.db2.gz PLPUOKYOPTUWRW-SNVBAGLBSA-N -2 3 283.349 1.501 20 0 CDADHL CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000399519554 356008466 /nfs/dbraw/zinc/00/84/66/356008466.db2.gz OEPMJEGSNDWUCD-WCBMZHEXSA-N -2 3 291.394 1.772 20 0 CDADHL C[C@H]1CCc2[n-]n(-c3cn[n-]c(=O)c3Cl)c(=O)c2C1 ZINC000634587774 356468569 /nfs/dbraw/zinc/46/85/69/356468569.db2.gz ZBFWUGRHHYLOJN-BQBZGAKWSA-N -2 3 280.715 1.974 20 0 CDADHL CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc2n[n-]nc2c1 ZINC000037590132 356502688 /nfs/dbraw/zinc/50/26/88/356502688.db2.gz VBBGMULFBVMPJC-MRVPVSSYSA-N -2 3 276.296 1.283 20 0 CDADHL CCc1ccc([O-])c([N-]S(=O)(=O)CCOC)c1 ZINC000080940835 358109546 /nfs/dbraw/zinc/10/95/46/358109546.db2.gz YBTDGBARXAACDA-UHFFFAOYSA-N -2 3 259.327 1.343 20 0 CDADHL C[C@@H](C(=O)[O-])C(=O)N1CC[C@H](C)c2cccc([O-])c21 ZINC000263566095 359302206 /nfs/dbraw/zinc/30/22/06/359302206.db2.gz WGUYMBOWIOYYLW-DTWKUNHWSA-N -2 3 263.293 1.953 20 0 CDADHL C[C@@H](O[C@H](C)C(=O)Nc1cc(Cl)ccc1[O-])C(=O)[O-] ZINC000421810728 359451711 /nfs/dbraw/zinc/45/17/11/359451711.db2.gz XVBUTRFEENPEOA-RNFRBKRXSA-N -2 3 287.699 1.862 20 0 CDADHL Nc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000357358173 366942065 /nfs/dbraw/zinc/94/20/65/366942065.db2.gz PAYQDBHOSRNOQT-UHFFFAOYSA-N -2 3 296.670 1.081 20 0 CDADHL Cc1nc(=NC(=O)c2cc(C(F)F)n[n-]2)s[n-]1 ZINC000639878181 370516081 /nfs/dbraw/zinc/51/60/81/370516081.db2.gz MVTMQAQCZFTUAO-UHFFFAOYSA-N -2 3 259.241 1.181 20 0 CDADHL Cc1nc(=NC(=O)c2cc(C(F)F)[n-]n2)s[n-]1 ZINC000639878181 370516086 /nfs/dbraw/zinc/51/60/86/370516086.db2.gz MVTMQAQCZFTUAO-UHFFFAOYSA-N -2 3 259.241 1.181 20 0 CDADHL CC[C@@](C)([N-]S(=O)(=O)c1ccc(C)o1)C(=O)[O-] ZINC000566172213 370634468 /nfs/dbraw/zinc/63/44/68/370634468.db2.gz BJJBOLJYGPDIQB-SNVBAGLBSA-N -2 3 261.299 1.120 20 0 CDADHL CC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CCC1 ZINC000567468178 371001450 /nfs/dbraw/zinc/00/14/50/371001450.db2.gz BQAZINJBDVMYJG-UHFFFAOYSA-N -2 3 273.310 1.446 20 0 CDADHL CCCC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000168874291 371701661 /nfs/dbraw/zinc/70/16/61/371701661.db2.gz CBAUIBKBTQMJQD-UHFFFAOYSA-N -2 3 275.326 1.835 20 0 CDADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2O)c1 ZINC000342614842 374338638 /nfs/dbraw/zinc/33/86/38/374338638.db2.gz JWDRRYHODDMLRD-UHFFFAOYSA-N -2 3 295.316 1.907 20 0 CDADHL CC(C)(C)c1n[n-]c(CN=c2[n-]nc(C3CC3)o2)n1 ZINC000413421345 391030679 /nfs/dbraw/zinc/03/06/79/391030679.db2.gz WQSQPKMJGROFLK-UHFFFAOYSA-N -2 3 262.317 1.397 20 0 CDADHL O=C([N-]c1n[n-]c(-c2ccccn2)n1)c1cc(C2CC2)no1 ZINC000442305439 392254713 /nfs/dbraw/zinc/25/47/13/392254713.db2.gz NQDNMZPRYJOGJA-UHFFFAOYSA-N -2 3 296.290 1.984 20 0 CDADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)C(C)C)cc1C(=O)[O-] ZINC000645942587 393417470 /nfs/dbraw/zinc/41/74/70/393417470.db2.gz NQOWEDOMSAPTIL-ZETCQYMHSA-N -2 3 275.326 1.609 20 0 CDADHL Cc1ccc(C(=O)N([C@@H](C)C(=O)[O-])C2CC2)c([O-])c1 ZINC000262693131 149097945 /nfs/dbraw/zinc/09/79/45/149097945.db2.gz COPNKUZBLKBHOY-VIFPVBQESA-N -2 3 263.293 1.778 20 0 CDADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2CC[C@@H](F)C2)c1 ZINC000352180734 155002120 /nfs/dbraw/zinc/00/21/20/155002120.db2.gz SBGGISYQXXJCON-SFYZADRCSA-N -2 3 293.341 1.615 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]C(C)(C)C)oc1C(=O)[O-] ZINC000663420211 414244618 /nfs/dbraw/zinc/24/46/18/414244618.db2.gz ORSIDDZMQUSQOD-UHFFFAOYSA-N -2 3 261.299 1.363 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2C)oc1C(=O)[O-] ZINC000663422128 414244765 /nfs/dbraw/zinc/24/47/65/414244765.db2.gz HUKWNVFBCKETFD-CBAPKCEASA-N -2 3 287.337 1.753 20 0 CDADHL CC1(C)C[C@@]1(C)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000663448348 414259222 /nfs/dbraw/zinc/25/92/22/414259222.db2.gz QAFUDPKKRYADSW-SNVBAGLBSA-N -2 3 290.366 1.308 20 0 CDADHL CC[C@H](C(=O)[O-])N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000044621631 175220120 /nfs/dbraw/zinc/22/01/20/175220120.db2.gz XODUAXVGKDNEBI-MRVPVSSYSA-N -2 3 281.337 1.692 20 0 CDADHL COc1cccc(C(=O)N2[C@@H](C)CC[C@H]2C(=O)[O-])c1[O-] ZINC000653318737 424563822 /nfs/dbraw/zinc/56/38/22/424563822.db2.gz XDPPAUDDRFTCTI-WPRPVWTQSA-N -2 3 279.292 1.479 20 0 CDADHL CC[C@H](C(=O)[O-])N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001590370238 1173376392 /nfs/dbraw/zinc/37/63/92/1173376392.db2.gz BTEUUZJMJOYTLI-MRVPVSSYSA-N -2 3 296.718 1.215 20 0 CDADHL CC[C@H](C(=O)[O-])N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001590370238 1173376398 /nfs/dbraw/zinc/37/63/98/1173376398.db2.gz BTEUUZJMJOYTLI-MRVPVSSYSA-N -2 3 296.718 1.215 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](F)C2)o1 ZINC000576940060 317234145 /nfs/dbraw/zinc/23/41/45/317234145.db2.gz BFVSFNNYEBSSJQ-SFYZADRCSA-N -2 3 291.300 1.537 20 0 CDADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccccc1F ZINC000391760819 323822891 /nfs/dbraw/zinc/82/28/91/323822891.db2.gz HKWVXTJHDIIQID-SECBINFHSA-N -2 3 289.328 1.747 20 0 CDADHL CCc1cc(=O)[n-]c(CN(CC(=O)[O-])C(C)C)n1 ZINC000583327472 325153656 /nfs/dbraw/zinc/15/36/56/325153656.db2.gz PGOMYSMHNVOCOL-UHFFFAOYSA-N -2 3 253.302 1.040 20 0 CDADHL O=C([O-])[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C1CC1 ZINC000054502509 527653381 /nfs/dbraw/zinc/65/33/81/527653381.db2.gz DJLYTJGZKLMLLE-ZDUSSCGKSA-N -2 3 286.287 1.121 20 0 CDADHL CC[C@@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)C(=O)[O-] ZINC000769561938 575359714 /nfs/dbraw/zinc/35/97/14/575359714.db2.gz LFONDPSYXRLBNQ-SECBINFHSA-N -2 3 275.226 1.897 20 0 CDADHL Nc1ccc(C(=O)NC2(CC(=O)[O-])CCC2)c([O-])c1 ZINC000763037795 576702274 /nfs/dbraw/zinc/70/22/74/576702274.db2.gz HTNAOBHZYOYUSD-UHFFFAOYSA-N -2 3 264.281 1.102 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)C[C@@H](O)c1cccc(F)c1 ZINC001601995276 1175103966 /nfs/dbraw/zinc/10/39/66/1175103966.db2.gz NSDZCQGQNQQKBQ-LLVKDONJSA-N -2 3 285.271 1.162 20 0 CDADHL C[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(C)(C)C ZINC000125225415 600635655 /nfs/dbraw/zinc/63/56/55/600635655.db2.gz DLBZLJIUMHHMSI-QMMMGPOBSA-N -2 3 289.353 1.938 20 0 CDADHL O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccncc2[O-])C1 ZINC000833188591 601211018 /nfs/dbraw/zinc/21/10/18/601211018.db2.gz ZPBRLTYHNQURTA-RKDXNWHRSA-N -2 3 264.281 1.039 20 0 CDADHL CCc1cccc(C(=O)Nc2cnn(CC(=O)[O-])c2)c1[O-] ZINC000830259944 601285880 /nfs/dbraw/zinc/28/58/80/601285880.db2.gz MKAYWIVZUPLRHO-UHFFFAOYSA-N -2 3 289.291 1.488 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@H]3CCC[C@H]32)oc1C(=O)[O-] ZINC000903549688 626022384 /nfs/dbraw/zinc/02/23/84/626022384.db2.gz OTOPJJARGPBNNF-OPRDCNLKSA-N -2 3 299.348 1.753 20 0 CDADHL O=C([O-])[C@H](CC1CC1)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000909047464 628490160 /nfs/dbraw/zinc/49/01/60/628490160.db2.gz HFFPRWOUGJXISF-NSHDSACASA-N -2 3 296.298 1.584 20 0 CDADHL O=C([O-])C12CC(C(=O)NCc3ccc([O-])c(F)c3)(C1)C2 ZINC000909922778 628776271 /nfs/dbraw/zinc/77/62/71/628776271.db2.gz IMCXMFZCSDVFQU-UHFFFAOYSA-N -2 3 279.267 1.402 20 0 CDADHL CC(C)(O)CO[N-]C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000911806800 629537681 /nfs/dbraw/zinc/53/76/81/629537681.db2.gz HWPZOKRSASTZHR-UHFFFAOYSA-N -2 3 273.329 1.230 20 0 CDADHL O=C([O-])C1=CC[C@H](NC(=O)c2cc(F)cc3n[n-]nc32)C1 ZINC001608586431 1164558909 /nfs/dbraw/zinc/55/89/09/1164558909.db2.gz KELOWCASAWZHJL-QMMMGPOBSA-N -2 3 290.254 1.000 20 0 CDADHL CCCO[N-]C(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001609217003 1164851773 /nfs/dbraw/zinc/85/17/73/1164851773.db2.gz WZZAPNJJJMZWKI-UHFFFAOYSA-N -2 3 287.323 1.356 20 0 CDADHL CCCO[N-]C(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001609217003 1164851781 /nfs/dbraw/zinc/85/17/81/1164851781.db2.gz WZZAPNJJJMZWKI-UHFFFAOYSA-N -2 3 287.323 1.356 20 0 CDADHL Cc1cc(=O)[n-]c([C@@H](C)Sc2nc(C(=O)[O-])c[nH]2)n1 ZINC001610476445 1165326853 /nfs/dbraw/zinc/32/68/53/1165326853.db2.gz YQIMRVNBPHHWDX-ZCFIWIBFSA-N -2 3 280.309 1.765 20 0 CDADHL Cc1cccc([O-])c1C(=O)N[C@@H](C)c1nc(C(=O)[O-])n[nH]1 ZINC001574165456 1170901457 /nfs/dbraw/zinc/90/14/57/1170901457.db2.gz JPHAWEMDLYIUQM-ZETCQYMHSA-N -2 3 290.279 1.008 20 0 CDADHL Cc1oc(C(=O)[O-])cc1CNCc1ncccc1[O-] ZINC001600831255 1174635479 /nfs/dbraw/zinc/63/54/79/1174635479.db2.gz MNWUAXWJPJYHRH-UHFFFAOYSA-N -2 3 262.265 1.677 20 0 CDADHL O=C([O-])[C@H](CNC(=O)c1cc(=O)[n-]cn1)C1CCCCC1 ZINC001601450898 1174875105 /nfs/dbraw/zinc/87/51/05/1174875105.db2.gz XNJCFANLXRFLQF-SNVBAGLBSA-N -2 3 293.323 1.193 20 0 CDADHL O=C([O-])[C@H](O)C1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC001601684745 1174943812 /nfs/dbraw/zinc/94/38/12/1174943812.db2.gz MHGYFPDDJYIFBA-CYBMUJFWSA-N -2 3 299.754 1.703 20 0 CDADHL O=C([O-])c1ccc(C(=O)Nc2ncccc2[O-])s1 ZINC001602326363 1175206063 /nfs/dbraw/zinc/20/60/63/1175206063.db2.gz WPNZUQMTGCIWDI-UHFFFAOYSA-N -2 3 264.262 1.799 20 0 CDADHL CC(C)(CNC(=O)c1cc(F)cc2n[n-]nc21)CC(=O)[O-] ZINC001603639027 1175582304 /nfs/dbraw/zinc/58/23/04/1175582304.db2.gz SWBPSRXRSPTJSD-UHFFFAOYSA-N -2 3 294.286 1.328 20 0 CDADHL C[C@H]1CCc2c(=O)n(-c3ccc(-c4nnn[n-]4)cn3)[n-]c21 ZINC001603880956 1175668099 /nfs/dbraw/zinc/66/80/99/1175668099.db2.gz IFAMAVXODLLIQT-IONNQARKSA-N -2 3 283.295 1.010 20 0 CDADHL C[C@H]1CCc2c(=O)n(-c3ccc(-c4nn[n-]n4)cn3)[n-]c21 ZINC001603880956 1175668101 /nfs/dbraw/zinc/66/81/01/1175668101.db2.gz IFAMAVXODLLIQT-IONNQARKSA-N -2 3 283.295 1.010 20 0 CDADHL CC(C)[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001609715921 1165054230 /nfs/dbraw/zinc/05/42/30/1165054230.db2.gz KEOUBLXHJZIYHR-DTWKUNHWSA-N -2 3 273.310 1.301 20 0 CDADHL N#Cc1ccc(S(=O)(=O)[N-][N-]C(=O)C2CCCC2)cc1 ZINC000029048832 785858839 /nfs/dbraw/zinc/85/88/39/785858839.db2.gz AJNXTSQZGPNKQA-UHFFFAOYSA-N -2 3 293.348 1.058 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H]2C[C@H]2C2CC2)o1 ZINC000712679922 786412680 /nfs/dbraw/zinc/41/26/80/786412680.db2.gz IPQFYBWJGHBIQX-ZJUUUORDSA-N -2 3 299.348 1.692 20 0 CDADHL Cc1ccc(C(=O)N[C@]2(CC(=O)[O-])CCCOC2)c([O-])c1 ZINC000823350024 786795934 /nfs/dbraw/zinc/79/59/34/786795934.db2.gz YRZKLXMOOGUGSP-HNNXBMFYSA-N -2 3 293.319 1.454 20 0 CDADHL N#Cc1ccc([O-])c([N-]S(=O)(=O)N2CCCC2)c1 ZINC000080941408 786963173 /nfs/dbraw/zinc/96/31/73/786963173.db2.gz QYPSUTBXMZIZSY-UHFFFAOYSA-N -2 3 267.310 1.016 20 0 CDADHL CCN(CC(=O)[O-])C(=O)c1cc([O-])ccc1Cl ZINC000233463407 787030648 /nfs/dbraw/zinc/03/06/48/787030648.db2.gz HYHRDBGOTOLALB-UHFFFAOYSA-N -2 3 257.673 1.592 20 0 CDADHL CCCNC(=O)[N-][N-]S(=O)(=O)c1ccccc1Cl ZINC000049275416 787687805 /nfs/dbraw/zinc/68/78/05/787687805.db2.gz HGYOEYZVRNWTCW-UHFFFAOYSA-N -2 3 291.760 1.243 20 0 CDADHL O=C([O-])[C@@H]1C[C@@H]1CNC(=O)c1cc([O-])ccc1Cl ZINC000715238366 789722443 /nfs/dbraw/zinc/72/24/43/789722443.db2.gz ODXVDQOZDDUMHL-HTRCEHHLSA-N -2 3 269.684 1.496 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])[C@H]1Cc2ccccc2O1 ZINC001178945626 915696892 /nfs/dbraw/zinc/69/68/92/915696892.db2.gz ZAFOLFWJIOSEHO-GFCCVEGCSA-N -2 3 299.263 1.064 20 0 CDADHL O=C([O-])C(F)(F)C(F)(F)C(=O)Nc1cncc([O-])c1 ZINC001180169788 916193738 /nfs/dbraw/zinc/19/37/38/916193738.db2.gz CRVXCBVDLBDPGV-UHFFFAOYSA-N -2 3 282.149 1.081 20 0 CDADHL C[C@@H](NC(=O)NCCP(=O)([O-])[O-])c1ccccc1 ZINC001185035134 919391355 /nfs/dbraw/zinc/39/13/55/919391355.db2.gz LEMRHJOTSRFFOP-SECBINFHSA-N -2 3 272.241 1.225 20 0 CDADHL NC(=O)c1ccc([N-]S(=O)(=O)CC2CCCC2)c([O-])c1 ZINC001191535818 922622878 /nfs/dbraw/zinc/62/28/78/922622878.db2.gz TYMDVHOHPOKMMG-UHFFFAOYSA-N -2 3 298.364 1.423 20 0 CDADHL Nc1ccc(F)cc1S(=O)(=O)[N-]c1cncc([O-])c1 ZINC001201642275 926371276 /nfs/dbraw/zinc/37/12/76/926371276.db2.gz PSMCUDMADMDKPZ-UHFFFAOYSA-N -2 3 283.284 1.309 20 0 CDADHL C[C@@]1(C(=O)NCCCCP(=O)([O-])[O-])C[C@@H]2C=C[C@H]1C2 ZINC001144285642 931736966 /nfs/dbraw/zinc/73/69/66/931736966.db2.gz HOPVXRKYWVXHTH-NTZNESFSSA-N -2 3 287.296 1.663 20 0 CDADHL COc1ccc([C@@H](C)OCCP(=O)([O-])[O-])cc1 ZINC001224604582 941773901 /nfs/dbraw/zinc/77/39/01/941773901.db2.gz DWZZCEPUMCYRQH-SECBINFHSA-N -2 3 260.226 1.951 20 0 CDADHL COC(=O)[C@H]1CCC[C@@H](OCCCCP(=O)([O-])[O-])C1 ZINC001225018779 941814531 /nfs/dbraw/zinc/81/45/31/941814531.db2.gz HPSAZENNKDRXRU-WDEREUQCSA-N -2 3 294.284 1.693 20 0 CDADHL CCC[C@H](NC(=O)c1cccc(F)c1[O-])c1nn[n-]n1 ZINC001362069922 970845562 /nfs/dbraw/zinc/84/55/62/970845562.db2.gz PCNNQSKPLAKHKX-VIFPVBQESA-N -2 3 279.275 1.316 20 0 CDADHL CCCC(=O)[C@H](CCC)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227565988 942189239 /nfs/dbraw/zinc/18/92/39/942189239.db2.gz DPQMFBLJBGCWRM-QMMMGPOBSA-N -2 3 255.274 1.200 20 0 CDADHL O=C([O-])C1CCC(NC(=O)NCc2ncccc2[O-])CC1 ZINC001601552197 971014487 /nfs/dbraw/zinc/01/44/87/971014487.db2.gz QSIPWTKWOJJTLD-UHFFFAOYSA-N -2 3 293.323 1.230 20 0 CDADHL O=c1nc2cn[n-]c2c(O[C@H]2CCC=CCCC2)[n-]1 ZINC001233938806 943694613 /nfs/dbraw/zinc/69/46/13/943694613.db2.gz FPXUXTNKTSSFEZ-VIFPVBQESA-N -2 3 260.297 1.914 20 0 CDADHL O=C1CC[C@@H](Oc2[n-]c(=O)nc3cn[n-]c32)c2ccccc21 ZINC001233938164 943695255 /nfs/dbraw/zinc/69/52/55/943695255.db2.gz AZDKGSPSDRUBKB-GFCCVEGCSA-N -2 3 296.286 1.743 20 0 CDADHL C[C@@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1cccnc1F ZINC001233939808 943696803 /nfs/dbraw/zinc/69/68/03/943696803.db2.gz OJYLCMCNQFNPIF-ZCFIWIBFSA-N -2 3 275.243 1.320 20 0 CDADHL COc1ccc(CS(=O)(=O)[N-]c2ncccc2[O-])cc1 ZINC001259891940 945689492 /nfs/dbraw/zinc/68/94/92/945689492.db2.gz AOZKMBPMYJAWNX-UHFFFAOYSA-N -2 3 294.332 1.738 20 0 CDADHL O=C([O-])Cc1cccc(-c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001242264250 946647560 /nfs/dbraw/zinc/64/75/60/946647560.db2.gz VVINBMLOALRMAW-UHFFFAOYSA-N -2 3 281.275 1.556 20 0 CDADHL C[C@H](NC(=S)NCCP(=O)([O-])[O-])c1ccccc1 ZINC001245541028 947734909 /nfs/dbraw/zinc/73/49/09/947734909.db2.gz YXACUGDMRJBHAR-VIFPVBQESA-N -2 3 288.309 1.389 20 0 CDADHL O=c1cc(-c2nccs2)[n-]n1-c1cc(=O)[n-]cn1 ZINC001245946512 947863579 /nfs/dbraw/zinc/86/35/79/947863579.db2.gz HVCIYNLLYGZMGG-UHFFFAOYSA-N -2 3 261.266 1.197 20 0 CDADHL Nc1ccccc1-c1cc(=O)n(-c2cc(=O)[n-]cn2)[n-]1 ZINC001245947111 947864080 /nfs/dbraw/zinc/86/40/80/947864080.db2.gz QTKKJKVDIGBSSQ-UHFFFAOYSA-N -2 3 269.264 1.323 20 0 CDADHL O=S(=O)([N-]c1cc(F)ccc1[O-])C(F)(F)F ZINC001252347246 951199342 /nfs/dbraw/zinc/19/93/42/951199342.db2.gz PKPUJOGPFOHQJC-UHFFFAOYSA-N -2 3 259.180 1.793 20 0 CDADHL COC(=O)c1ccc([N-]S(=O)(=O)C(C)C)c([O-])c1 ZINC001252513645 951398413 /nfs/dbraw/zinc/39/84/13/951398413.db2.gz JVRYVOMRNGOTMW-UHFFFAOYSA-N -2 3 273.310 1.329 20 0 CDADHL COc1cccc([O-])c1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000404611663 953380126 /nfs/dbraw/zinc/38/01/26/953380126.db2.gz FZFJSQPCZNTXKR-BDAKNGLRSA-N -2 3 279.292 1.384 20 0 CDADHL C[C@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@H](C(=O)[O-])C1 ZINC000125522990 958567466 /nfs/dbraw/zinc/56/74/66/958567466.db2.gz OTDIKGPPULBHND-WPRPVWTQSA-N -2 3 279.292 1.423 20 0 CDADHL C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1ccc(O)cc1[O-] ZINC001574273958 960614144 /nfs/dbraw/zinc/61/41/44/960614144.db2.gz RMCLDXOBBCJCKP-GMSGAONNSA-N -2 3 265.265 1.176 20 0 CDADHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1ccc(Cl)o1 ZINC001454188328 968439404 /nfs/dbraw/zinc/43/94/04/968439404.db2.gz HPQLSIZWPUFOGQ-UHFFFAOYSA-N -2 3 269.644 1.064 20 0 CDADHL C[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C1CC1 ZINC000694190463 976678183 /nfs/dbraw/zinc/67/81/83/976678183.db2.gz XAQORTWMIKBMOZ-SSDOTTSWSA-N -2 3 273.310 1.302 20 0 CDADHL C[C@@H](CF)[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000702581523 977093097 /nfs/dbraw/zinc/09/30/97/977093097.db2.gz YRJHRJZZAFYVGC-LURJTMIESA-N -2 3 279.264 1.160 20 0 CDADHL Cc1cccc([O-])c1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000706609714 977355899 /nfs/dbraw/zinc/35/58/99/977355899.db2.gz JDHUFAQXHBEBBE-UHFFFAOYSA-N -2 3 263.293 1.637 20 0 CDADHL CC(F)(F)C(=O)[N-][C@@H](C(=O)[O-])c1ccccc1F ZINC001592934864 979994081 /nfs/dbraw/zinc/99/40/81/979994081.db2.gz SWIUGAPXYBTTMD-MRVPVSSYSA-N -2 3 261.199 1.723 20 0 CDADHL CC[C@@](C)(NC(=O)c1cc(OC)c([O-])c(OC)c1)C(=O)[O-] ZINC001594841636 982056894 /nfs/dbraw/zinc/05/68/94/982056894.db2.gz FGGHLNBMPUXAIL-CQSZACIVSA-N -2 3 297.307 1.393 20 0 CDADHL CC(=O)c1ncc(C(=O)[N-]c2cc(C(=O)[O-])no2)s1 ZINC001589322445 986131840 /nfs/dbraw/zinc/13/18/40/986131840.db2.gz GVFCXOVAZBEQQZ-UHFFFAOYSA-N -2 3 281.249 1.284 20 0 CDADHL CCc1ccc(C(=O)N(CCOC)CCC(=O)[O-])c([O-])c1 ZINC001597499070 988050309 /nfs/dbraw/zinc/05/03/09/988050309.db2.gz YCULLSGQYLFDNL-UHFFFAOYSA-N -2 3 295.335 1.518 20 0 CDADHL CSCCO[N-]C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001599801295 988181050 /nfs/dbraw/zinc/18/10/50/988181050.db2.gz XWSAFJVVCAJKKR-UHFFFAOYSA-N -2 3 275.370 1.822 20 0 CDADHL CC(C)(CF)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC001590701768 990419443 /nfs/dbraw/zinc/41/94/43/990419443.db2.gz RINGSSTXVGRYKR-UHFFFAOYSA-N -2 3 293.291 1.550 20 0 CDADHL COc1ccc(CC(=O)[N-]OCCCC(=O)[O-])cc1 ZINC001599549036 997973077 /nfs/dbraw/zinc/97/30/77/997973077.db2.gz XLCFMPGPWQUPGB-UHFFFAOYSA-N -2 3 267.281 1.150 20 0 CDADHL CCCC[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)C(=O)[O-] ZINC001605242432 1163499740 /nfs/dbraw/zinc/49/97/40/1163499740.db2.gz JIZSQCZIFJCLOS-SECBINFHSA-N -2 3 294.286 1.470 20 0 CDADHL O=C([O-])[C@@H]1CCC[C@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000085321351 179015050 /nfs/dbraw/zinc/01/50/50/179015050.db2.gz WHVQOYHKHUCCQO-PSASIEDQSA-N -2 3 265.265 1.081 20 0 CDADHL COC(=O)c1cnc(S[C@@H](C)c2nc(C)cc(=O)[n-]2)[n-]1 ZINC000274986333 365880675 /nfs/dbraw/zinc/88/06/75/365880675.db2.gz YJUCVMBEXQMDEU-ZETCQYMHSA-N -2 3 294.336 1.854 20 0 CDADHL COC(=O)c1c[n-]c(S[C@@H](C)c2nc(C)cc(=O)[n-]2)n1 ZINC000274986333 365880678 /nfs/dbraw/zinc/88/06/78/365880678.db2.gz YJUCVMBEXQMDEU-ZETCQYMHSA-N -2 3 294.336 1.854 20 0 CDADHL Cc1ccc(C(=O)N[C@@H](C(=O)[O-])C(C)C)c([O-])c1 ZINC000019518633 356489307 /nfs/dbraw/zinc/48/93/07/356489307.db2.gz RXLCDUOLZCZQIZ-LLVKDONJSA-N -2 3 251.282 1.540 20 0 CDADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(C)o1)C(=O)[O-] ZINC000263538152 359297881 /nfs/dbraw/zinc/29/78/81/359297881.db2.gz AUIMOAWSJCLCHF-XVKPBYJWSA-N -2 3 275.326 1.366 20 0 CDADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cnc(C)s1 ZINC000297257333 200127703 /nfs/dbraw/zinc/12/77/03/200127703.db2.gz RGKRVLPVJHBICW-MRVPVSSYSA-N -2 3 292.382 1.373 20 0 CDADHL C[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000131771742 361143843 /nfs/dbraw/zinc/14/38/43/361143843.db2.gz MENQOHJRTWIIGV-RQJHMYQMSA-N -2 3 275.351 1.381 20 0 CDADHL O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cccs2)C1 ZINC000097062935 361284619 /nfs/dbraw/zinc/28/46/19/361284619.db2.gz CFZHCBUSSFYFMW-JGVFFNPUSA-N -2 3 275.351 1.280 20 0 CDADHL O=C([O-])CCN(C(=O)c1ccccc1[O-])C1CCOCC1 ZINC000520407767 361506464 /nfs/dbraw/zinc/50/64/64/361506464.db2.gz RYVNDHHBJMUVEK-UHFFFAOYSA-N -2 3 293.319 1.488 20 0 CDADHL Cc1[n-][nH]c(=O)c1CCN=c1nc(CC(C)C)[n-]s1 ZINC000547467072 369556939 /nfs/dbraw/zinc/55/69/39/369556939.db2.gz OWSUEWKLABCFGX-SECBINFHSA-N -2 3 281.385 1.082 20 0 CDADHL O=C([O-])[C@]1([N-]C(=O)C(F)(F)c2ccccc2)CCOC1 ZINC000262122463 131192499 /nfs/dbraw/zinc/19/24/99/131192499.db2.gz IYOVSGGGXRKVJW-LBPRGKRZSA-N -2 3 285.246 1.138 20 0 CDADHL CC(C)C[C@@H](C[N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000262474704 131223877 /nfs/dbraw/zinc/22/38/77/131223877.db2.gz PWKLYGOILOMLED-VIFPVBQESA-N -2 3 275.326 1.305 20 0 CDADHL CC(C)[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000645942833 393417274 /nfs/dbraw/zinc/41/72/74/393417274.db2.gz XWEOELWAAYSFGY-SSDOTTSWSA-N -2 3 261.299 1.301 20 0 CDADHL Cc1ccc(C(=O)N[C@H](CC2CC2)C(=O)[O-])c([O-])c1 ZINC000262836757 149120073 /nfs/dbraw/zinc/12/00/73/149120073.db2.gz SPLDQDCTLGINTF-LLVKDONJSA-N -2 3 263.293 1.684 20 0 CDADHL Cc1ccnc2ccc(C(=O)N=c3ccc([O-])n[n-]3)cc12 ZINC000343742195 152286673 /nfs/dbraw/zinc/28/66/73/152286673.db2.gz UAQRRSLCDQIMET-UHFFFAOYSA-N -2 3 280.287 1.713 20 0 CDADHL CC(C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000020560339 171251620 /nfs/dbraw/zinc/25/16/20/171251620.db2.gz DICCLRAUTVTHAC-UHFFFAOYSA-N -2 3 279.264 1.350 20 0 CDADHL CSc1ccc([O-])c(C(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000659761540 414085760 /nfs/dbraw/zinc/08/57/60/414085760.db2.gz NGBKRRKXOLESOG-JTQLQIEISA-N -2 3 281.333 1.803 20 0 CDADHL CSc1ccc([O-])c(C(=O)N(C)C[C@@H](C)C(=O)[O-])c1 ZINC000659765178 414090387 /nfs/dbraw/zinc/09/03/87/414090387.db2.gz OIDYMWZFMVLZMX-MRVPVSSYSA-N -2 3 283.349 1.907 20 0 CDADHL CCc1n[n-]c([N-]C(=O)c2cc(-c3ccco3)on2)n1 ZINC000182269554 262276332 /nfs/dbraw/zinc/27/63/32/262276332.db2.gz MSBMURWCIINRNM-UHFFFAOYSA-N -2 3 273.252 1.867 20 0 CDADHL CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(C)o1)C(=O)[O-] ZINC000573365605 294803980 /nfs/dbraw/zinc/80/39/80/294803980.db2.gz ZXRMVAZMIDKJMO-PSASIEDQSA-N -2 3 289.353 1.756 20 0 CDADHL COCC1(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)CC1 ZINC000573688466 294868394 /nfs/dbraw/zinc/86/83/94/294868394.db2.gz KQTKNVUQONFXGB-UHFFFAOYSA-N -2 3 299.348 1.234 20 0 CDADHL Cc1ccc(NC(=O)[C@H](C(=O)[O-])C(C)C)c([O-])c1 ZINC000577751389 317398565 /nfs/dbraw/zinc/39/85/65/317398565.db2.gz BUWJQKJGXNMVFG-LLVKDONJSA-N -2 3 251.282 1.996 20 0 CDADHL CCc1ncc(S(=O)(=O)[N-][C@H](C)[C@@H](C)C(=O)[O-])s1 ZINC000579561487 324216061 /nfs/dbraw/zinc/21/60/61/324216061.db2.gz QEBTZYGIUPOLFR-RNFRBKRXSA-N -2 3 292.382 1.093 20 0 CDADHL CC1(C)COc2ccc(C(=O)N=c3ccc([O-])n[n-]3)cc21 ZINC000582640154 325013070 /nfs/dbraw/zinc/01/30/70/325013070.db2.gz NSTWTNGLPHJSEK-UHFFFAOYSA-N -2 3 285.303 1.526 20 0 CDADHL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)CC1(C#N)CC1 ZINC000547545264 334100537 /nfs/dbraw/zinc/10/05/37/334100537.db2.gz AGUGOXRKXQUCNE-UHFFFAOYSA-N -2 3 294.332 1.739 20 0 CDADHL Cc1ccc(C(=O)NCCCc2cc(=O)[nH][n-]2)c([O-])c1 ZINC000673545633 482780116 /nfs/dbraw/zinc/78/01/16/482780116.db2.gz FFUCDJKFDFCLCC-UHFFFAOYSA-N -2 3 275.308 1.087 20 0 CDADHL Cc1ccc([O-])c(C(=O)NC2(CC(=O)[O-])CCOCC2)c1 ZINC000677793932 482780188 /nfs/dbraw/zinc/78/01/88/482780188.db2.gz AFKVVXBCIJHYET-UHFFFAOYSA-N -2 3 293.319 1.454 20 0 CDADHL COc1ccccc1OC[C@H](C)OCCP(=O)([O-])[O-] ZINC001224601633 1160779666 /nfs/dbraw/zinc/77/96/66/1160779666.db2.gz IUEQSRKRQWZIED-JTQLQIEISA-N -2 3 290.252 1.657 20 0 CDADHL CCn1c(=O)[n-]nc1SCc1cccc(C(=O)[O-])c1 ZINC000057439764 523093135 /nfs/dbraw/zinc/09/31/35/523093135.db2.gz UFMRPASVUKJZPQ-UHFFFAOYSA-N -2 3 279.321 1.582 20 0 CDADHL O=C([O-])[C@H](CF)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC001601649394 1174929544 /nfs/dbraw/zinc/92/95/44/1174929544.db2.gz ULRDZNFBYQHEGY-ZETCQYMHSA-N -2 3 299.682 1.180 20 0 CDADHL CCO[N-]C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736625633 575707676 /nfs/dbraw/zinc/70/76/76/575707676.db2.gz JLXOKVGBHJIEJE-UHFFFAOYSA-N -2 3 279.325 1.027 20 0 CDADHL CCO[N-]C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736625633 575707677 /nfs/dbraw/zinc/70/76/77/575707677.db2.gz JLXOKVGBHJIEJE-UHFFFAOYSA-N -2 3 279.325 1.027 20 0 CDADHL CN(C(=O)c1nnc2ccccc2c1[O-])C(C)(C)C(=O)[O-] ZINC000737348386 575944290 /nfs/dbraw/zinc/94/42/90/575944290.db2.gz NRXRKKKMWVIZEK-UHFFFAOYSA-N -2 3 289.291 1.271 20 0 CDADHL CC(C)([N-]C(=O)C(F)(F)c1ccc(F)cc1)C(=O)[O-] ZINC000737593188 575998673 /nfs/dbraw/zinc/99/86/73/575998673.db2.gz LSQSEOIVHDJSOU-UHFFFAOYSA-N -2 3 275.226 1.897 20 0 CDADHL O=C([O-])CCSc1n[n-]c(-c2ccccn2)n1 ZINC000739753475 576289813 /nfs/dbraw/zinc/28/98/13/576289813.db2.gz LVPLKKUUCRLJFP-UHFFFAOYSA-N -2 3 250.283 1.434 20 0 CDADHL Cc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)c([O-])c1C ZINC000740105868 576424328 /nfs/dbraw/zinc/42/43/28/576424328.db2.gz NKYKMBZJWZPTQF-UHFFFAOYSA-N -2 3 277.320 1.946 20 0 CDADHL CC(C)N(CC(=O)[O-])Cc1nc(=O)c2sccc2[n-]1 ZINC000037995331 600088130 /nfs/dbraw/zinc/08/81/30/600088130.db2.gz CKBZMYLUTWJDFM-UHFFFAOYSA-N -2 3 281.337 1.280 20 0 CDADHL CSCCC[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871992683 620645930 /nfs/dbraw/zinc/64/59/30/620645930.db2.gz BRFXJLMWQZJYAE-UHFFFAOYSA-N -2 3 279.339 1.009 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]Cc2ccn(C)c2)cc1C(=O)[O-] ZINC000833027149 601226016 /nfs/dbraw/zinc/22/60/16/601226016.db2.gz QHBPMLMOODVADG-UHFFFAOYSA-N -2 3 298.320 1.103 20 0 CDADHL O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ncccc2[O-])C1 ZINC000833188110 601386305 /nfs/dbraw/zinc/38/63/05/601386305.db2.gz LGUXFWQURICGGD-RKDXNWHRSA-N -2 3 264.281 1.617 20 0 CDADHL O=C([O-])C[C@H](NC(=O)c1cn[n-]n1)c1ccc(Cl)cc1 ZINC000833264654 601664699 /nfs/dbraw/zinc/66/46/99/601664699.db2.gz HEDZUXWZRGDHCU-VIFPVBQESA-N -2 3 294.698 1.404 20 0 CDADHL CCc1ccc([O-])c(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC000830253734 601759960 /nfs/dbraw/zinc/75/99/60/601759960.db2.gz LLCXNUMNNZCECI-NSHDSACASA-N -2 3 293.319 1.270 20 0 CDADHL O=C([O-])C[C@@H]1CCCN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC000833212402 604669763 /nfs/dbraw/zinc/66/97/63/604669763.db2.gz YKAQCSPNFVFIQS-QMMMGPOBSA-N -2 3 293.275 1.200 20 0 CDADHL C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2occc2C(=O)[O-])C1 ZINC000903025369 625802139 /nfs/dbraw/zinc/80/21/39/625802139.db2.gz CKVSZVMMOBZRQD-SFYZADRCSA-N -2 3 273.310 1.445 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C[C@]12C[C@H]1CCC2 ZINC000903521044 626014074 /nfs/dbraw/zinc/01/40/74/626014074.db2.gz GFJRVYRFIYUGPE-PELKAZGASA-N -2 3 285.321 1.446 20 0 CDADHL CC(C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C1CC1 ZINC000903530732 626017932 /nfs/dbraw/zinc/01/79/32/626017932.db2.gz JGMFWSQZWCCMEQ-UHFFFAOYSA-N -2 3 287.337 1.692 20 0 CDADHL C[C@@H](C(=O)[O-])N(C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000908987493 628457928 /nfs/dbraw/zinc/45/79/28/628457928.db2.gz RQYZNRVFTLTIKJ-LURJTMIESA-N -2 3 291.225 1.956 20 0 CDADHL O=C([O-])C1CCC(NC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000909160468 628538237 /nfs/dbraw/zinc/53/82/37/628538237.db2.gz OFBOFZLVYYWMOP-UHFFFAOYSA-N -2 3 295.310 1.833 20 0 CDADHL CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000909314767 628628549 /nfs/dbraw/zinc/62/85/49/628628549.db2.gz XEOVBXYGHXYREP-VIFPVBQESA-N -2 3 293.319 1.920 20 0 CDADHL O=C([O-])C1CC(NC(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000910336796 629012728 /nfs/dbraw/zinc/01/27/28/629012728.db2.gz DMBFBNJUOXFKOT-UHFFFAOYSA-N -2 3 267.256 1.053 20 0 CDADHL COC(=O)C1(C)CC(OCCCCP(=O)([O-])[O-])C1 ZINC001225018536 1160993360 /nfs/dbraw/zinc/99/33/60/1160993360.db2.gz AFIUCTOQFRHBPK-UHFFFAOYSA-N -2 3 280.257 1.303 20 0 CDADHL Cc1cc(=O)[n-]c(CN(C)Cc2ccc(C(=O)[O-])cn2)n1 ZINC001607699325 1164275122 /nfs/dbraw/zinc/27/51/22/1164275122.db2.gz NTWFRDTVVDOCJJ-UHFFFAOYSA-N -2 3 288.307 1.216 20 0 CDADHL Cc1n[n-]cc1C(=O)O[C@H](CC(C)(C)C)C(=O)[O-] ZINC001610404434 1165308714 /nfs/dbraw/zinc/30/87/14/1165308714.db2.gz GRBTVTFQNHTYIG-SECBINFHSA-N -2 3 254.286 1.764 20 0 CDADHL Cc1[n-][nH]c(=O)c1NC(=O)c1cccc(F)c1[O-] ZINC001569835855 1170013239 /nfs/dbraw/zinc/01/32/39/1170013239.db2.gz HEHUEWDYIPGPGW-UHFFFAOYSA-N -2 3 251.217 1.521 20 0 CDADHL Cc1nc(N[C@H](C)C(=O)[O-])c(Cl)cc1-c1nn[n-]n1 ZINC001592393811 1173878049 /nfs/dbraw/zinc/87/80/49/1173878049.db2.gz HOXDBSCDGBMZRM-RXMQYKEDSA-N -2 3 282.691 1.109 20 0 CDADHL O=C([O-])COCCNc1c(Cl)cccc1-c1nnn[n-]1 ZINC001593278531 1174050063 /nfs/dbraw/zinc/05/00/63/1174050063.db2.gz KVYJRORIKZLMAX-UHFFFAOYSA-N -2 3 297.702 1.033 20 0 CDADHL O=C([O-])COCCNc1c(Cl)cccc1-c1nn[n-]n1 ZINC001593278531 1174050071 /nfs/dbraw/zinc/05/00/71/1174050071.db2.gz KVYJRORIKZLMAX-UHFFFAOYSA-N -2 3 297.702 1.033 20 0 CDADHL Cc1cc(=O)[n-]c(N2CCc3c(cccc3C(=O)[O-])C2)n1 ZINC001600285156 1174437410 /nfs/dbraw/zinc/43/74/10/1174437410.db2.gz DOGGZZWPLFEINR-UHFFFAOYSA-N -2 3 285.303 1.752 20 0 CDADHL O=C([O-])C1(C(=O)COC(=O)c2cc3occc3[n-]2)CC1 ZINC001602611188 1175321758 /nfs/dbraw/zinc/32/17/58/1175321758.db2.gz PQAHBSQNVRUWDH-UHFFFAOYSA-N -2 3 277.232 1.352 20 0 CDADHL C[C@@H](CC(=O)[O-])CC(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC001604113397 1175769198 /nfs/dbraw/zinc/76/91/98/1175769198.db2.gz VHNWVTRRTBBWIS-QMMMGPOBSA-N -2 3 294.307 1.604 20 0 CDADHL CC[C@](C)([N-]C(=O)C(F)(F)c1nccs1)C(=O)[O-] ZINC001609895367 1165135183 /nfs/dbraw/zinc/13/51/83/1165135183.db2.gz GQIVJWDZGCNORO-VIFPVBQESA-N -2 3 278.280 1.604 20 0 CDADHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1ccoc1Cl ZINC001630647371 1166220572 /nfs/dbraw/zinc/22/05/72/1166220572.db2.gz VZBYIYKTXMUYHG-UHFFFAOYSA-N -2 3 269.644 1.064 20 0 CDADHL CC(C)NC(=O)[N-][N-]S(=O)(=O)c1ccccc1Cl ZINC000049463439 791975559 /nfs/dbraw/zinc/97/55/59/791975559.db2.gz QODYEZLVDQJNIS-UHFFFAOYSA-N -2 3 291.760 1.241 20 0 CDADHL C[C@H]1CN=C([N-]C(=O)C(=O)c2ccc([O-])cc2)S1 ZINC000819777523 795204433 /nfs/dbraw/zinc/20/44/33/795204433.db2.gz KFZDLAUAXDWKAG-ZETCQYMHSA-N -2 3 264.306 1.182 20 0 CDADHL O=C([N-]OC1CCC1)c1n[n-]c2ccccc2c1=O ZINC000812793324 795722535 /nfs/dbraw/zinc/72/25/35/795722535.db2.gz UAXYDOZMNGCSJN-UHFFFAOYSA-N -2 3 259.265 1.549 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])NC1CCCCCC1 ZINC001191283460 922484169 /nfs/dbraw/zinc/48/41/69/922484169.db2.gz GSHHNEVHVCESGF-UHFFFAOYSA-N -2 3 292.316 1.966 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1onc2ccccc21 ZINC001154380461 937539225 /nfs/dbraw/zinc/53/92/25/937539225.db2.gz TURPTXBJRNIAAQ-UHFFFAOYSA-N -2 3 298.235 1.516 20 0 CDADHL COc1cccc(C(=O)N=c2ncnc3[nH][n-]c(C)c2-3)c1[O-] ZINC001148195946 932656299 /nfs/dbraw/zinc/65/62/99/932656299.db2.gz LPIRLTFZWRGJRC-UHFFFAOYSA-N -2 3 299.290 1.001 20 0 CDADHL O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccncc1[O-] ZINC000176729669 940783281 /nfs/dbraw/zinc/78/32/81/940783281.db2.gz JEMUMSCZEIUAMW-UHFFFAOYSA-N -2 3 273.174 1.176 20 0 CDADHL O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccncc1[O-] ZINC000176729669 940783283 /nfs/dbraw/zinc/78/32/83/940783283.db2.gz JEMUMSCZEIUAMW-UHFFFAOYSA-N -2 3 273.174 1.176 20 0 CDADHL O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccncc1[O-] ZINC000176729669 940783287 /nfs/dbraw/zinc/78/32/87/940783287.db2.gz JEMUMSCZEIUAMW-UHFFFAOYSA-N -2 3 273.174 1.176 20 0 CDADHL CC(C)Oc1cc(COCCP(=O)([O-])[O-])ccn1 ZINC001224602387 941774321 /nfs/dbraw/zinc/77/43/21/941774321.db2.gz QUJAZIPUVHUHHU-UHFFFAOYSA-N -2 3 275.241 1.563 20 0 CDADHL Cc1nn(C)cc1[C@H](C)OCCCCP(=O)([O-])[O-] ZINC001225021496 941814491 /nfs/dbraw/zinc/81/44/91/941814491.db2.gz ICSVWSVLFZAUHE-JTQLQIEISA-N -2 3 276.273 1.764 20 0 CDADHL CCOC(=O)[C@@H](CC(C)C)OCCCCP(=O)([O-])[O-] ZINC001225021847 941816048 /nfs/dbraw/zinc/81/60/48/941816048.db2.gz JMQARDAZCMVERD-LLVKDONJSA-N -2 3 296.300 1.939 20 0 CDADHL Cc1cccc2c1CC[C@@H]2Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227566606 942189424 /nfs/dbraw/zinc/18/94/24/942189424.db2.gz IVEJXAWSQURIRA-JTQLQIEISA-N -2 3 259.265 1.658 20 0 CDADHL C[C@@H](CC(=O)OC(C)(C)C)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233935496 943693384 /nfs/dbraw/zinc/69/33/84/943693384.db2.gz TXANBGUMTRTTGE-ZETCQYMHSA-N -2 3 294.311 1.145 20 0 CDADHL O=S(=O)([N-]c1cc([O-])c(Cl)cc1F)c1cn[nH]c1 ZINC001260960575 945926697 /nfs/dbraw/zinc/92/66/97/945926697.db2.gz VFPIECFTYKOVBS-UHFFFAOYSA-N -2 3 291.691 1.709 20 0 CDADHL O=C1[N-]S(=O)(=O)c2cc(-c3c([O-])cccc3F)ccc21 ZINC001245656494 947801566 /nfs/dbraw/zinc/80/15/66/947801566.db2.gz SDSXEAZCHDBZII-UHFFFAOYSA-N -2 3 293.275 1.630 20 0 CDADHL CC(C)c1ccc(C(=O)NCc2nc([O-])cc(=O)[n-]2)cn1 ZINC001362722529 971561500 /nfs/dbraw/zinc/56/15/00/971561500.db2.gz XFQVWRMHWQHHEI-UHFFFAOYSA-N -2 3 288.307 1.336 20 0 CDADHL CCC[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)OC ZINC000378850586 971586831 /nfs/dbraw/zinc/58/68/31/971586831.db2.gz VOOXIVHCYQIMBE-MRVPVSSYSA-N -2 3 291.325 1.071 20 0 CDADHL CC(F)(F)CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000379288938 971630583 /nfs/dbraw/zinc/63/05/83/971630583.db2.gz IOECFBHCAXGJES-UHFFFAOYSA-N -2 3 283.252 1.301 20 0 CDADHL CC[C@@H](C(=O)[O-])N(C)C(=O)c1c([O-])cccc1OC ZINC000404650670 953378834 /nfs/dbraw/zinc/37/88/34/953378834.db2.gz QRESJRMLGYHXQC-QMMMGPOBSA-N -2 3 267.281 1.336 20 0 CDADHL C[C@H]1CCN(C(=O)c2ccc(O)cc2[O-])C[C@@H]1C(=O)[O-] ZINC000693496629 954763104 /nfs/dbraw/zinc/76/31/04/954763104.db2.gz PVOITWCTMFYRIS-KWQFWETISA-N -2 3 279.292 1.281 20 0 CDADHL CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001589217490 956736855 /nfs/dbraw/zinc/73/68/55/956736855.db2.gz KLGRDRHNIQZPRJ-VIFPVBQESA-N -2 3 292.217 1.263 20 0 CDADHL CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC001589217490 956736861 /nfs/dbraw/zinc/73/68/61/956736861.db2.gz KLGRDRHNIQZPRJ-VIFPVBQESA-N -2 3 292.217 1.263 20 0 CDADHL CON(C(=O)CCCc1ccc([O-])c(F)c1)[C@@H](C)C(=O)[O-] ZINC001594037696 957830460 /nfs/dbraw/zinc/83/04/60/957830460.db2.gz YZOOELIIQNYUFH-VIFPVBQESA-N -2 3 299.298 1.717 20 0 CDADHL Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1cccc(C(=O)[O-])c1)C2 ZINC001594460423 959451551 /nfs/dbraw/zinc/45/15/51/959451551.db2.gz QALYHBPJPNCACS-UHFFFAOYSA-N -2 3 299.286 1.345 20 0 CDADHL O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1ccc(O)cc1[O-] ZINC000228974892 960048815 /nfs/dbraw/zinc/04/88/15/960048815.db2.gz HTWUGMPCYYQSOL-JQEORGNBSA-N -2 3 291.303 1.423 20 0 CDADHL COc1ccc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)c([O-])c1 ZINC001571041661 960590781 /nfs/dbraw/zinc/59/07/81/960590781.db2.gz WSBFJNLRZBKJOC-KXNHARMFSA-N -2 3 291.303 1.240 20 0 CDADHL COc1cccc([O-])c1C(=O)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC000404583990 973734233 /nfs/dbraw/zinc/73/42/33/973734233.db2.gz AOPBQRBPTOOYAN-OAHLLOKOSA-N -2 3 293.319 1.728 20 0 CDADHL C[C@@H](OC(=O)c1ccc([O-])cc1)C(=O)C(C)(C)C(=O)[O-] ZINC001604413087 1163180267 /nfs/dbraw/zinc/18/02/67/1163180267.db2.gz CNFZZPGPVSZWRG-MRVPVSSYSA-N -2 3 280.276 1.617 20 0 CDADHL C[C@H](C[N-]S(=O)(=O)c1csnc1C(=O)[O-])C1CC1 ZINC001592721946 979221863 /nfs/dbraw/zinc/22/18/63/979221863.db2.gz IKVWLRKUSCNGQK-ZCFIWIBFSA-N -2 3 290.366 1.166 20 0 CDADHL CCC1CCC(NC(=O)c2cc(=O)[n-]cn2)(C(=O)[O-])CC1 ZINC001595424796 981043614 /nfs/dbraw/zinc/04/36/14/981043614.db2.gz PLRYEAOEJOWKBZ-UHFFFAOYSA-N -2 3 293.323 1.336 20 0 CDADHL CCCCOc1ccc(C(=O)N2CC(C(=O)[O-])C2)c([O-])c1 ZINC001595773987 982526830 /nfs/dbraw/zinc/52/68/30/982526830.db2.gz DIQOQQBMYZFQQT-UHFFFAOYSA-N -2 3 293.319 1.728 20 0 CDADHL CC1(C)CC[C@@H]([N-]S(=O)(=O)c2occc2C(=O)[O-])C1 ZINC001593881758 996712247 /nfs/dbraw/zinc/71/22/47/996712247.db2.gz HARLLVPFIYHASR-MRVPVSSYSA-N -2 3 287.337 1.835 20 0 CDADHL C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1cc(C(=O)[O-])no1 ZINC001594297273 999146610 /nfs/dbraw/zinc/14/66/10/999146610.db2.gz UQMQKCWZAFOMQU-HTQZYQBOSA-N -2 3 268.269 1.058 20 0 CDADHL CCOC(=O)c1cnc(NC(=O)c2cc(C)ccc2[O-])[n-]1 ZINC000585682649 342453398 /nfs/dbraw/zinc/45/33/98/342453398.db2.gz XMEQJXIQCNZNPF-UHFFFAOYSA-N -2 3 289.291 1.853 20 0 CDADHL CCOC(=O)c1c[n-]c(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000585682649 342453399 /nfs/dbraw/zinc/45/33/99/342453399.db2.gz XMEQJXIQCNZNPF-UHFFFAOYSA-N -2 3 289.291 1.853 20 0 CDADHL CCC[C@@H]([N-]C(=O)C(F)(F)c1ccccc1)c1nn[n-]n1 ZINC000136715633 361858027 /nfs/dbraw/zinc/85/80/27/361858027.db2.gz OBHUCZTVTSWTLS-SNVBAGLBSA-N -2 3 295.293 1.949 20 0 CDADHL COCC1(S(=O)(=O)[N-]c2ccc(OC)cc2[O-])CC1 ZINC000641685361 365724831 /nfs/dbraw/zinc/72/48/31/365724831.db2.gz MHNWLVDTKWCPCW-UHFFFAOYSA-N -2 3 287.337 1.322 20 0 CDADHL O=C([O-])C1([N-]S(=O)(=O)c2cncc(Cl)c2)CCC1 ZINC000283008065 304034215 /nfs/dbraw/zinc/03/42/15/304034215.db2.gz ZKOCODLVXTUQQR-UHFFFAOYSA-N -2 3 290.728 1.021 20 0 CDADHL CCC[C@@H](NC(=O)c1cc(C)ccc1[O-])C(=O)[O-] ZINC000036831591 356885065 /nfs/dbraw/zinc/88/50/65/356885065.db2.gz OSBRHSVFQVVNMM-SNVBAGLBSA-N -2 3 251.282 1.684 20 0 CDADHL COc1cccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)c1[O-] ZINC000019505582 358099472 /nfs/dbraw/zinc/09/94/72/358099472.db2.gz YCEBGFILKUGFAT-VIFPVBQESA-N -2 3 279.292 1.338 20 0 CDADHL CO[C@@H](C)CS(=O)(=O)[N-]c1cc(F)ccc1[O-] ZINC000193120236 358266876 /nfs/dbraw/zinc/26/68/76/358266876.db2.gz ZVZWVISORHEWDH-ZETCQYMHSA-N -2 3 263.290 1.308 20 0 CDADHL CCc1cc(=O)[n-]c(CN2C[C@@H](C(=O)[O-])CC[C@@H]2C)n1 ZINC000567857989 359044976 /nfs/dbraw/zinc/04/49/76/359044976.db2.gz RRCFZJTVPRRTBC-UWVGGRQHSA-N -2 3 279.340 1.430 20 0 CDADHL CCCC[C@@H]([N-]S(=O)(=O)c1ccc(C)o1)C(=O)[O-] ZINC000263547166 359298832 /nfs/dbraw/zinc/29/88/32/359298832.db2.gz HWFJTZRLHDAJLZ-SECBINFHSA-N -2 3 275.326 1.510 20 0 CDADHL CC(=O)c1ccc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1[O-] ZINC000564967912 359325909 /nfs/dbraw/zinc/32/59/09/359325909.db2.gz WBYYPZFJXSUMEG-OAHLLOKOSA-N -2 3 291.303 1.532 20 0 CDADHL Cc1nc(C=Cc2cccnc2)[n-]c(=O)c1CC(=O)[O-] ZINC000347414269 359392769 /nfs/dbraw/zinc/39/27/69/359392769.db2.gz GESOFPYHYBNNAO-SNAWJCMRSA-N -2 3 271.276 1.683 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CCCC[C@H]2CCC(=O)[O-])n1 ZINC000424261832 359982920 /nfs/dbraw/zinc/98/29/20/359982920.db2.gz PMJKMKHGXNYODE-LBPRGKRZSA-N -2 3 293.367 1.964 20 0 CDADHL Cc1ncc(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)s1 ZINC000230275560 360280397 /nfs/dbraw/zinc/28/03/97/360280397.db2.gz YZXCSPNSHOLDQL-UHFFFAOYSA-N -2 3 290.366 1.127 20 0 CDADHL C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000270413307 364590776 /nfs/dbraw/zinc/59/07/76/364590776.db2.gz CPYOKMDGGFCABP-YFKPBYRVSA-N -2 3 297.254 1.245 20 0 CDADHL CC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000566794835 370812342 /nfs/dbraw/zinc/81/23/42/370812342.db2.gz GSPURTHZXVPCIY-ZCFIWIBFSA-N -2 3 261.299 1.363 20 0 CDADHL O=C([O-])CC1([N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000398262602 367329865 /nfs/dbraw/zinc/32/98/65/367329865.db2.gz VHWGJPSYFDYBLC-UHFFFAOYSA-N -2 3 273.285 1.111 20 0 CDADHL COc1ccc(C(=O)N[C@](C)(C(=O)[O-])C2CC2)c([O-])c1 ZINC000037366075 367286345 /nfs/dbraw/zinc/28/63/45/367286345.db2.gz HUXMJGXOPQCVHA-AWEZNQCLSA-N -2 3 279.292 1.384 20 0 CDADHL COc1ccsc1S(=O)(=O)[N-]C1(C(=O)[O-])CCC1 ZINC000282988070 368135461 /nfs/dbraw/zinc/13/54/61/368135461.db2.gz XSLNFIWGEJPADX-UHFFFAOYSA-N -2 3 291.350 1.042 20 0 CDADHL O=C([N-]O[C@@H]1CCCCO1)c1ccc2n[n-]c(=S)n2c1 ZINC000283223618 368228127 /nfs/dbraw/zinc/22/81/27/368228127.db2.gz YKMLFVLWBCBNBU-SNVBAGLBSA-N -2 3 294.336 1.206 20 0 CDADHL COCCCO[N-]C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000286955850 369040712 /nfs/dbraw/zinc/04/07/12/369040712.db2.gz JTGHPUGVZCBHGJ-UHFFFAOYSA-N -2 3 288.373 1.925 20 0 CDADHL COCCCO[N-]C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000287855242 369330937 /nfs/dbraw/zinc/33/09/37/369330937.db2.gz OZOUKZFSROOQOJ-UHFFFAOYSA-N -2 3 297.355 1.486 20 0 CDADHL C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)c1ccc2n[n-]nc2c1 ZINC000263300064 370532259 /nfs/dbraw/zinc/53/22/59/370532259.db2.gz GLNUYQNRGGMVHE-PSASIEDQSA-N -2 3 288.307 1.283 20 0 CDADHL Cc1cccc(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)c1[O-] ZINC000436742123 249454961 /nfs/dbraw/zinc/45/49/61/249454961.db2.gz VNZYZCFSJLTSJB-UHFFFAOYSA-N -2 3 297.261 1.710 20 0 CDADHL CO[C@H](C)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000336797260 377779513 /nfs/dbraw/zinc/77/95/13/377779513.db2.gz ZYXWQUQKPPIDOL-SSDOTTSWSA-N -2 3 293.366 1.150 20 0 CDADHL CC(C)=CC[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000191632115 130267157 /nfs/dbraw/zinc/26/71/57/130267157.db2.gz RRLBZEDYMOOHNV-UHFFFAOYSA-N -2 3 275.351 1.691 20 0 CDADHL Cc1cccc2cc(S(=O)(=O)[N-][C@H](C)C(=O)[O-])sc21 ZINC000646019931 391907415 /nfs/dbraw/zinc/90/74/15/391907415.db2.gz RWDPUGFXXPSVLS-MRVPVSSYSA-N -2 3 299.373 1.961 20 0 CDADHL O=C([N-]c1nncs1)c1c(F)ccc([O-])c1F ZINC000438765151 391962216 /nfs/dbraw/zinc/96/22/16/391962216.db2.gz HMLPURQPMMIBBL-UHFFFAOYSA-N -2 3 257.221 1.774 20 0 CDADHL CC(=O)c1ccc(C(=O)NC[C@@H](C)C(=O)[O-])cc1[O-] ZINC000656231528 413127778 /nfs/dbraw/zinc/12/77/78/413127778.db2.gz KWXSXWATCNGXJC-SSDOTTSWSA-N -2 3 265.265 1.045 20 0 CDADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cc1)c1ccoc1 ZINC000349970548 154293363 /nfs/dbraw/zinc/29/33/63/154293363.db2.gz ZZWWDWSLLIFCAK-UHFFFAOYSA-N -2 3 291.292 1.261 20 0 CDADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1ccoc1 ZINC000349970548 154293365 /nfs/dbraw/zinc/29/33/65/154293365.db2.gz ZZWWDWSLLIFCAK-UHFFFAOYSA-N -2 3 291.292 1.261 20 0 CDADHL Cc1nc(=NCc2nnc(C(F)(F)F)[n-]2)s[n-]1 ZINC000359713155 158347951 /nfs/dbraw/zinc/34/79/51/158347951.db2.gz MGABLYWHOCMDJA-UHFFFAOYSA-N -2 3 264.236 1.017 20 0 CDADHL Cc1nc(=NCc2n[n-]c(C(F)(F)F)n2)s[n-]1 ZINC000359713155 158347953 /nfs/dbraw/zinc/34/79/53/158347953.db2.gz MGABLYWHOCMDJA-UHFFFAOYSA-N -2 3 264.236 1.017 20 0 CDADHL Cc1nc(=NCc2nc(C(F)(F)F)n[n-]2)s[n-]1 ZINC000359713155 158347954 /nfs/dbraw/zinc/34/79/54/158347954.db2.gz MGABLYWHOCMDJA-UHFFFAOYSA-N -2 3 264.236 1.017 20 0 CDADHL O=C([O-])[C@H](CNC(=O)c1ccc2n[n-]nc2c1)C1CCC1 ZINC000663152113 414007420 /nfs/dbraw/zinc/00/74/20/414007420.db2.gz HUNOOMWMJNKCHB-SNVBAGLBSA-N -2 3 288.307 1.189 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]CCCc2ccco2)c1 ZINC000663429951 414250584 /nfs/dbraw/zinc/25/05/84/414250584.db2.gz PRCVPYAPDMYTKM-UHFFFAOYSA-N -2 3 299.304 1.482 20 0 CDADHL CCc1ncc(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])s1 ZINC000547567420 289787205 /nfs/dbraw/zinc/78/72/05/289787205.db2.gz GFTPVOGAICCHEY-UHFFFAOYSA-N -2 3 292.382 1.095 20 0 CDADHL CC(C)[C@H](CNc1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001589456711 1173146135 /nfs/dbraw/zinc/14/61/35/1173146135.db2.gz LFNQNJLVTOGAPD-JTQLQIEISA-N -2 3 293.302 1.775 20 0 CDADHL CC(C)[C@H](CNc1ccc(F)cc1-c1nn[n-]n1)C(=O)[O-] ZINC001589456711 1173146141 /nfs/dbraw/zinc/14/61/41/1173146141.db2.gz LFNQNJLVTOGAPD-JTQLQIEISA-N -2 3 293.302 1.775 20 0 CDADHL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccccc1F ZINC000136248570 280226194 /nfs/dbraw/zinc/22/61/94/280226194.db2.gz XLJMHGGCBDZEJB-JTQLQIEISA-N -2 3 289.328 1.603 20 0 CDADHL CCC[C@H](C[N-]S(=O)(=O)c1cc(C)cs1)C(=O)[O-] ZINC000560481821 290494815 /nfs/dbraw/zinc/49/48/15/290494815.db2.gz WALZUEKKQXODIY-SECBINFHSA-N -2 3 291.394 1.836 20 0 CDADHL Cc1ccc([O-])c(C(=O)N([C@@H](C)C(=O)[O-])C2CC2)c1 ZINC000262788949 301650216 /nfs/dbraw/zinc/65/02/16/301650216.db2.gz KJJDWZDWIDFJEJ-VIFPVBQESA-N -2 3 263.293 1.778 20 0 CDADHL Cc1ccc(C(=O)N(C)[C@H](C)CC(=O)[O-])c([O-])c1 ZINC000581835488 324842396 /nfs/dbraw/zinc/84/23/96/324842396.db2.gz BRDWGUDSVMNKED-SECBINFHSA-N -2 3 251.282 1.636 20 0 CDADHL CN(CC(=O)[O-])C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000737989404 574436930 /nfs/dbraw/zinc/43/69/30/574436930.db2.gz RWBODOBGDAHMDI-UHFFFAOYSA-N -2 3 279.292 1.262 20 0 CDADHL Cc1nn(C)c(C)c1-c1cc(C(=O)O[C@@H](C)C(=O)[O-])n[n-]1 ZINC000738374849 574522808 /nfs/dbraw/zinc/52/28/08/574522808.db2.gz CMEAFCVNSIWOLZ-QMMMGPOBSA-N -2 3 292.295 1.057 20 0 CDADHL Cc1ccc(C(=O)NCCSCCC(=O)[O-])c([O-])c1 ZINC000738514860 576085557 /nfs/dbraw/zinc/08/55/57/576085557.db2.gz JJIRNPAKRDSYKD-UHFFFAOYSA-N -2 3 283.349 1.638 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)C[C@H]1CCC2(CCC2)CO1 ZINC001601995272 1175103893 /nfs/dbraw/zinc/10/38/93/1175103893.db2.gz NOOKMQXIPUYCMP-LLVKDONJSA-N -2 3 285.340 1.638 20 0 CDADHL COc1cc(C(=O)O[C@H](C)C(=O)[O-])cc(OC)c1[O-] ZINC000820759282 597505902 /nfs/dbraw/zinc/50/59/02/597505902.db2.gz NRWMDGCJEWFTCP-ZCFIWIBFSA-N -2 3 270.237 1.039 20 0 CDADHL CCc1cccc(C(=O)N2CC[C@@H](C(=O)[O-])C2)c1[O-] ZINC000818339411 601285906 /nfs/dbraw/zinc/28/59/06/601285906.db2.gz ZMBJAUMABOOQFJ-SNVBAGLBSA-N -2 3 263.293 1.501 20 0 CDADHL C[C@H](CC(=O)[O-])C(=O)NCc1ccc([O-])c(F)c1 ZINC000827296666 602298710 /nfs/dbraw/zinc/29/87/10/602298710.db2.gz VTWAJYIBORLJDJ-SSDOTTSWSA-N -2 3 255.245 1.258 20 0 CDADHL Cc1cc(=O)[n-]c(CN2CCC(CCC(=O)[O-])CC2)n1 ZINC000700439628 602314577 /nfs/dbraw/zinc/31/45/77/602314577.db2.gz ZGBZDOPXLXMNJL-UHFFFAOYSA-N -2 3 279.340 1.567 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)C2)oc1C(=O)[O-] ZINC000903026146 625803473 /nfs/dbraw/zinc/80/34/73/625803473.db2.gz MQCYHWNCCXFLDC-VXNVDRBHSA-N -2 3 287.337 1.753 20 0 CDADHL O=C([O-])[C@H]1C[C@@H]2C[C@H]([N-]S(=O)(=O)c3ccco3)[C@@H]2C1 ZINC000903538504 626015826 /nfs/dbraw/zinc/01/58/26/626015826.db2.gz WIRQDKFEVZWNSW-RGOKHQFPSA-N -2 3 285.321 1.057 20 0 CDADHL CC(C)N(CCC(=O)[O-])C(=O)Cc1ccc([O-])c(F)c1 ZINC000908961229 628436252 /nfs/dbraw/zinc/43/62/52/628436252.db2.gz MDWANVMWAMWCGC-UHFFFAOYSA-N -2 3 283.299 1.786 20 0 CDADHL O=C([O-])C[C@@H]1CCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000909740279 628657122 /nfs/dbraw/zinc/65/71/22/628657122.db2.gz NCATWIXZDGBWAA-JTQLQIEISA-N -2 3 281.283 1.540 20 0 CDADHL Cc1ccc(C(=O)N2CC([C@@H](F)C(=O)[O-])C2)c([O-])c1 ZINC000910132620 628874539 /nfs/dbraw/zinc/87/45/39/628874539.db2.gz OSXBRLCWYIGKKO-LLVKDONJSA-N -2 3 267.256 1.195 20 0 CDADHL O=C([O-])c1cccc(CC(=O)[N-]OCC(F)(F)F)c1 ZINC000911807941 629539209 /nfs/dbraw/zinc/53/92/09/629539209.db2.gz YQPVRJUFCCXLPS-UHFFFAOYSA-N -2 3 277.198 1.537 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]CC[C@H](C)F)oc1C(=O)[O-] ZINC001607707941 1164277269 /nfs/dbraw/zinc/27/72/69/1164277269.db2.gz XAQPJMRVDJXJCG-ZETCQYMHSA-N -2 3 279.289 1.313 20 0 CDADHL O=C([O-])[C@H](CNC(=O)c1cc(=O)[n-]cn1)CC1CCCC1 ZINC001608421416 1164512327 /nfs/dbraw/zinc/51/23/27/1164512327.db2.gz TXPOICFTTQMPEM-JTQLQIEISA-N -2 3 293.323 1.193 20 0 CDADHL O=C([N-]c1cnoc1)c1sccc1-c1nn[n-]n1 ZINC001609568887 1164992370 /nfs/dbraw/zinc/99/23/70/1164992370.db2.gz BYCHLSQGPBSSEL-UHFFFAOYSA-N -2 3 262.254 1.169 20 0 CDADHL Cc1nscc1C(=O)[N-]c1nc(C(=O)[O-])ns1 ZINC001610577479 1165364086 /nfs/dbraw/zinc/36/40/86/1165364086.db2.gz OFRZVPFXLLVERE-UHFFFAOYSA-N -2 3 270.295 1.254 20 0 CDADHL O=C([O-])[C@H](CF)NC(=O)c1cc([O-])c2ccccc2c1 ZINC001610680609 1165404676 /nfs/dbraw/zinc/40/46/76/1165404676.db2.gz GWMPLSZKLVXDHT-NSHDSACASA-N -2 3 277.251 1.698 20 0 CDADHL Cc1ccnc(N[C@@H]2CCC[C@@H]2C(=O)[O-])c1-c1nnn[n-]1 ZINC001592275230 1173844659 /nfs/dbraw/zinc/84/46/59/1173844659.db2.gz BZTUNBPFNOTEGT-DTWKUNHWSA-N -2 3 288.311 1.235 20 0 CDADHL Cc1ccnc(N[C@@H]2CCC[C@@H]2C(=O)[O-])c1-c1nn[n-]n1 ZINC001592275230 1173844662 /nfs/dbraw/zinc/84/46/62/1173844662.db2.gz BZTUNBPFNOTEGT-DTWKUNHWSA-N -2 3 288.311 1.235 20 0 CDADHL O=C([O-])CC[C@@H]1CCCN(Cc2ccc(C(=O)[O-])cn2)C1 ZINC001601976830 1175094808 /nfs/dbraw/zinc/09/48/08/1175094808.db2.gz ZBLTVUGUELGSFJ-NSHDSACASA-N -2 3 292.335 1.857 20 0 CDADHL CC(C)OCCO[N-]C(=O)CCc1ccccc1C(=O)[O-] ZINC001603925693 1175687336 /nfs/dbraw/zinc/68/73/36/1175687336.db2.gz PFYWVVLRIPFMFK-UHFFFAOYSA-N -2 3 295.335 1.790 20 0 CDADHL O=C([O-])[C@@H](F)C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC001608801381 1164642452 /nfs/dbraw/zinc/64/24/52/1164642452.db2.gz SEBKRNYBPUXQOD-QMMMGPOBSA-N -2 3 299.682 1.180 20 0 CDADHL C[C@@]1(C(=O)[O-])CCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000235428541 797808720 /nfs/dbraw/zinc/80/87/20/797808720.db2.gz LABHIQYXTILUJS-CYBMUJFWSA-N -2 3 283.711 1.982 20 0 CDADHL Cc1sc(C(N)=O)cc1[N-]C(=O)c1cc(C(=O)[O-])no1 ZINC001600875527 1167787083 /nfs/dbraw/zinc/78/70/83/1167787083.db2.gz VGUNJEGVPJRHPS-UHFFFAOYSA-N -2 3 295.276 1.094 20 0 CDADHL CN(C)c1nc(Nc2ccc(F)c(C(=O)[O-])c2)cc(=O)[n-]1 ZINC001175216519 913495983 /nfs/dbraw/zinc/49/59/83/913495983.db2.gz BPDMPHZPPRAXBK-UHFFFAOYSA-N -2 3 292.270 1.829 20 0 CDADHL Cc1c(F)cccc1NC(=O)NCCP(=O)([O-])[O-] ZINC001189070104 921313064 /nfs/dbraw/zinc/31/30/64/921313064.db2.gz NHAGIYPZZKSISV-UHFFFAOYSA-N -2 3 276.204 1.433 20 0 CDADHL CCOC(=O)[C@H]1CCC[C@H](OCCP(=O)([O-])[O-])C1 ZINC001224601031 909912871 /nfs/dbraw/zinc/91/28/71/909912871.db2.gz DDNDRDKABPZYJF-UWVGGRQHSA-N -2 3 280.257 1.303 20 0 CDADHL C[C@H]1CCC[C@H](C(=O)NCCCCP(=O)([O-])[O-])C1 ZINC001184516490 919188370 /nfs/dbraw/zinc/18/83/70/919188370.db2.gz ULHNBBRLSMCFTA-QWRGUYRKSA-N -2 3 277.301 1.887 20 0 CDADHL O=C(N=c1ncnc2[nH][n-]cc1-2)c1cccc([S-])c1 ZINC001186132227 919900825 /nfs/dbraw/zinc/90/08/25/919900825.db2.gz UNJNPHOTQBREGU-UHFFFAOYSA-N -2 3 271.305 1.267 20 0 CDADHL O=S(=O)([N-][C@H]1[CH]CC=C1)C(Cl)(Cl)Cl ZINC001192054543 922901880 /nfs/dbraw/zinc/90/18/80/922901880.db2.gz UZPXSYIMMWPGAC-RXMQYKEDSA-N -2 3 263.553 1.766 20 0 CDADHL CC[C@H](C)OC(=O)NCCCCP(=O)([O-])[O-] ZINC001195145986 924485898 /nfs/dbraw/zinc/48/58/98/924485898.db2.gz FGEMPVFEHWJXOI-QMMMGPOBSA-N -2 3 253.235 1.469 20 0 CDADHL O=C(NCc1ncccc1[O-])c1cc(Cl)ncc1[O-] ZINC001196400339 924895717 /nfs/dbraw/zinc/89/57/17/924895717.db2.gz NZHPOFGWDUWVRQ-UHFFFAOYSA-N -2 3 279.683 1.471 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1cc2cccn2cn1 ZINC001201384022 926287305 /nfs/dbraw/zinc/28/73/05/926287305.db2.gz NLWSNDUYLFOMAU-UHFFFAOYSA-N -2 3 297.251 1.022 20 0 CDADHL Cc1nc(C(C)C)[n-]c(=O)c1C(=O)[N-]OC[C@@H]1CCOC1 ZINC000788572507 929555980 /nfs/dbraw/zinc/55/59/80/929555980.db2.gz UMSSBXROWBKEIY-SNVBAGLBSA-N -2 3 295.339 1.312 20 0 CDADHL O=C(Nc1ncccc1[O-])c1c[n-]c2cccnc2c1=O ZINC001153852093 937476476 /nfs/dbraw/zinc/47/64/76/937476476.db2.gz WKUZYYNOTXVOAZ-UHFFFAOYSA-N -2 3 282.259 1.276 20 0 CDADHL O=C(Nc1ncccc1[O-])c1cnc2cccnc2c1[O-] ZINC001153852093 937476480 /nfs/dbraw/zinc/47/64/80/937476480.db2.gz WKUZYYNOTXVOAZ-UHFFFAOYSA-N -2 3 282.259 1.276 20 0 CDADHL Cc1cc(=O)[n-]c(CNC(=O)c2ccc(Cl)c([O-])c2)n1 ZINC001412303203 932367985 /nfs/dbraw/zinc/36/79/85/932367985.db2.gz YYBHUSJGOXUOQO-UHFFFAOYSA-N -2 3 293.710 1.780 20 0 CDADHL COc1ccc(Nc2cc(=O)[n-]c(=S)[nH]2)cc1C(=O)[O-] ZINC001209898872 940650726 /nfs/dbraw/zinc/65/07/26/940650726.db2.gz KPBSHYRFGOLZOJ-UHFFFAOYSA-N -2 3 293.304 1.921 20 0 CDADHL CN(C)c1nc(Nc2cc(C(=O)[O-])cnc2F)cc(=O)[n-]1 ZINC001215124639 940859350 /nfs/dbraw/zinc/85/93/50/940859350.db2.gz YVXLYBKVZVBZFT-UHFFFAOYSA-N -2 3 293.258 1.224 20 0 CDADHL CC(C)C[C@@H](Nc1ncccc1-c1nnn[n-]1)C(=O)[O-] ZINC000095206674 944616749 /nfs/dbraw/zinc/61/67/49/944616749.db2.gz NWZOQGLKTGALGM-SECBINFHSA-N -2 3 276.300 1.173 20 0 CDADHL CC(C)C[C@@H](Nc1ncccc1-c1nn[n-]n1)C(=O)[O-] ZINC000095206674 944616754 /nfs/dbraw/zinc/61/67/54/944616754.db2.gz NWZOQGLKTGALGM-SECBINFHSA-N -2 3 276.300 1.173 20 0 CDADHL Nc1ccnc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242159474 946611460 /nfs/dbraw/zinc/61/14/60/946611460.db2.gz LPYPFIBMOZJMNC-UHFFFAOYSA-N -2 3 258.233 1.727 20 0 CDADHL Cc1ccc(-c2ccc(C(=O)[O-])nc2)cc1-c1nnn[n-]1 ZINC001242337392 946681497 /nfs/dbraw/zinc/68/14/97/946681497.db2.gz GXGFVZFUMXXFTP-UHFFFAOYSA-N -2 3 281.275 1.935 20 0 CDADHL Cc1ccc(-c2ccc(C(=O)[O-])nc2)cc1-c1nn[n-]n1 ZINC001242337392 946681500 /nfs/dbraw/zinc/68/15/00/946681500.db2.gz GXGFVZFUMXXFTP-UHFFFAOYSA-N -2 3 281.275 1.935 20 0 CDADHL O=C([O-])c1cc(-c2cncc(-c3nnn[n-]3)c2)cnc1F ZINC001244757195 947458441 /nfs/dbraw/zinc/45/84/41/947458441.db2.gz TUQHZUYTPCCNEP-UHFFFAOYSA-N -2 3 286.226 1.161 20 0 CDADHL O=C([O-])c1cc(-c2cncc(-c3nn[n-]n3)c2)cnc1F ZINC001244757195 947458443 /nfs/dbraw/zinc/45/84/43/947458443.db2.gz TUQHZUYTPCCNEP-UHFFFAOYSA-N -2 3 286.226 1.161 20 0 CDADHL CC(=O)c1cccc(NC(=O)C2(C(=O)[O-])CCC2)c1[O-] ZINC001602774079 971509597 /nfs/dbraw/zinc/50/95/97/971509597.db2.gz ULNVSMBEPQZKII-UHFFFAOYSA-N -2 3 277.276 1.788 20 0 CDADHL CCOc1nc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)n[n-]1 ZINC000380253351 971687143 /nfs/dbraw/zinc/68/71/43/971687143.db2.gz OGFCXUJMAMJTKT-SFYZADRCSA-N -2 3 282.300 1.033 20 0 CDADHL CCOc1n[n-]c(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)n1 ZINC000380253351 971687151 /nfs/dbraw/zinc/68/71/51/971687151.db2.gz OGFCXUJMAMJTKT-SFYZADRCSA-N -2 3 282.300 1.033 20 0 CDADHL C[C@H]1CCCN(C(=O)Cc2ccc([O-])c(F)c2)[C@@H]1C(=O)[O-] ZINC001589325159 953896941 /nfs/dbraw/zinc/89/69/41/953896941.db2.gz JNLNPWDPFROUAS-XPTSAGLGSA-N -2 3 295.310 1.786 20 0 CDADHL COC(=O)c1[n-]cnc1NC(=O)c1cccc(C(=O)[O-])c1 ZINC001593897395 955832771 /nfs/dbraw/zinc/83/27/71/955832771.db2.gz GJDUPVXMYMNSPJ-UHFFFAOYSA-N -2 3 289.247 1.147 20 0 CDADHL COC(=O)c1nc[n-]c1NC(=O)c1cccc(C(=O)[O-])c1 ZINC001593897395 955832783 /nfs/dbraw/zinc/83/27/83/955832783.db2.gz GJDUPVXMYMNSPJ-UHFFFAOYSA-N -2 3 289.247 1.147 20 0 CDADHL O=C(/C=C\c1ccc(C(=O)[O-])o1)[N-]OCc1ccccn1 ZINC001594672536 956626229 /nfs/dbraw/zinc/62/62/29/956626229.db2.gz MSAJUXGMRGQALK-ALCCZGGFSA-N -2 3 288.259 1.634 20 0 CDADHL C[C@@H](C(=O)[O-])C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001588575380 959217736 /nfs/dbraw/zinc/21/77/36/959217736.db2.gz BSESXRGHRAJXBL-OPRDCNLKSA-N -2 3 293.323 1.045 20 0 CDADHL C[C@H](C(=O)[O-])C(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001588575376 959218227 /nfs/dbraw/zinc/21/82/27/959218227.db2.gz BSESXRGHRAJXBL-GUBZILKMSA-N -2 3 293.323 1.045 20 0 CDADHL CC(C)c1ccc(C(=O)N2CC(C(=O)[O-])C2)c([O-])c1 ZINC001573566117 959286454 /nfs/dbraw/zinc/28/64/54/959286454.db2.gz ABXPCDUSAWKSBX-UHFFFAOYSA-N -2 3 263.293 1.672 20 0 CDADHL O=C([O-])CCS(=O)(=O)[N-]c1cc(F)cc(Cl)c1 ZINC000229987934 960104657 /nfs/dbraw/zinc/10/46/57/960104657.db2.gz ZKBCMKZYLWJFFD-UHFFFAOYSA-N -2 3 281.692 1.696 20 0 CDADHL O=C([O-])c1ccc(CNC(=O)c2c([O-])cccc2O)o1 ZINC000232429791 960267972 /nfs/dbraw/zinc/26/79/72/960267972.db2.gz YTGSXHXKZCPMRN-UHFFFAOYSA-N -2 3 277.232 1.319 20 0 CDADHL Cc1cc(C(F)(F)C(=O)[N-]CC(=O)[O-])cnc1Cl ZINC001574684574 962599487 /nfs/dbraw/zinc/59/94/87/962599487.db2.gz PAXGPTGVFULWIM-UHFFFAOYSA-N -2 3 278.642 1.336 20 0 CDADHL O=C([O-])Cc1ccccc1C[N-]C(=O)C(F)(F)C(F)F ZINC000300480574 963013961 /nfs/dbraw/zinc/01/39/61/963013961.db2.gz PWUXVWIIAHXALQ-UHFFFAOYSA-N -2 3 293.216 1.830 20 0 CDADHL Cc1ccc(C(=O)N2C[C@H](C3CC3)[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001549107452 968020170 /nfs/dbraw/zinc/02/01/70/968020170.db2.gz CBXVWDPMLFSFLG-CHWSQXEVSA-N -2 3 289.331 1.883 20 0 CDADHL O=C([O-])CC1(C(=O)[N-]OCC(F)(F)F)CCC1 ZINC000844254108 969246466 /nfs/dbraw/zinc/24/64/66/969246466.db2.gz NOVIQAGOYHRXQN-UHFFFAOYSA-N -2 3 255.192 1.242 20 0 CDADHL C[C@]1(C(=O)[O-])CCCN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC001603292390 972552855 /nfs/dbraw/zinc/55/28/55/972552855.db2.gz AJRILQGGKLGIKF-CQSZACIVSA-N -2 3 293.275 1.200 20 0 CDADHL O=C([O-])[C@@H]1CC12CCN(C(=O)c1c([O-])cccc1O)CC2 ZINC000405402575 973870231 /nfs/dbraw/zinc/87/02/31/973870231.db2.gz SINGVQCTWQXKFD-VIFPVBQESA-N -2 3 291.303 1.425 20 0 CDADHL CC(C)OC(=O)c1cc(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])[n-]n1 ZINC001573523818 983053218 /nfs/dbraw/zinc/05/32/18/983053218.db2.gz JNUPNLIDFHLKPY-JGVFFNPUSA-N -2 3 295.295 1.024 20 0 CDADHL CC(C)OC(=O)c1cc(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])n[n-]1 ZINC001573523818 983053226 /nfs/dbraw/zinc/05/32/26/983053226.db2.gz JNUPNLIDFHLKPY-JGVFFNPUSA-N -2 3 295.295 1.024 20 0 CDADHL CC(=O)Nc1ccc([O-])c(C(=O)N(C)CCCC(=O)[O-])c1 ZINC001589199677 985637631 /nfs/dbraw/zinc/63/76/31/985637631.db2.gz XZTQJRLBZGPPQQ-UHFFFAOYSA-N -2 3 294.307 1.287 20 0 CDADHL CC[C@@H](C)[C@@H](OC(=O)Cc1c(C)nc(C)[n-]c1=O)C(=O)[O-] ZINC001604948280 1163394625 /nfs/dbraw/zinc/39/46/25/1163394625.db2.gz VVJLNJRUMMVZRQ-JMCQJSRRSA-N -2 3 296.323 1.384 20 0 CDADHL CCOC(=O)c1c[n-]c(NC(=O)c2ccc(F)cc2[O-])n1 ZINC000590355958 342538248 /nfs/dbraw/zinc/53/82/48/342538248.db2.gz HGOIHDIRNSNSND-UHFFFAOYSA-N -2 3 293.254 1.683 20 0 CDADHL CCC(CC)([N-]S(=O)(=O)c1cnc(C)s1)C(=O)[O-] ZINC000232854386 342033866 /nfs/dbraw/zinc/03/38/66/342033866.db2.gz GVNZCALFRCGGSC-UHFFFAOYSA-N -2 3 292.382 1.373 20 0 CDADHL Cc1ncc(S(=O)(=O)[N-]C[C@@H](C)CCC(=O)[O-])s1 ZINC000230102483 346547584 /nfs/dbraw/zinc/54/75/84/346547584.db2.gz SCPHJXJZUQGITE-ZETCQYMHSA-N -2 3 292.382 1.231 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CCCC[C@@H]2C(=O)[O-])n1 ZINC000158468175 188377405 /nfs/dbraw/zinc/37/74/05/188377405.db2.gz WOIBSPZDNQBFIW-SNVBAGLBSA-N -2 3 265.313 1.184 20 0 CDADHL COc1ccc(C(=O)N(CCC(=O)[O-])C(C)C)c([O-])c1 ZINC000037585030 356495158 /nfs/dbraw/zinc/49/51/58/356495158.db2.gz OYZVIDYCQDVASU-UHFFFAOYSA-N -2 3 281.308 1.726 20 0 CDADHL COCCS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-] ZINC000042808002 357081189 /nfs/dbraw/zinc/08/11/89/357081189.db2.gz YZHBDQBFFLIFJY-UHFFFAOYSA-N -2 3 293.728 1.426 20 0 CDADHL C[C@H]([C@H]([N-]S(=O)(=O)c1ccco1)C(=O)[O-])C1CC1 ZINC000558686784 357870487 /nfs/dbraw/zinc/87/04/87/357870487.db2.gz VFGFVDTUQRUJML-XVKPBYJWSA-N -2 3 273.310 1.057 20 0 CDADHL CCC[C@H]([N-]S(=O)(=O)c1ccc(C)o1)C(=O)[O-] ZINC000263515625 359293847 /nfs/dbraw/zinc/29/38/47/359293847.db2.gz ZPHRVEKCLDVUMI-QMMMGPOBSA-N -2 3 261.299 1.120 20 0 CDADHL CCc1ccc([O-])c(C(=O)N[C@@H](C(=O)[O-])C(C)C)c1 ZINC000263449140 359282583 /nfs/dbraw/zinc/28/25/83/359282583.db2.gz RXFPRTWUNVLECJ-GFCCVEGCSA-N -2 3 265.309 1.794 20 0 CDADHL Cc1nc(C=Cc2cccnc2)[n-]c(=O)c1CC(=O)[O-] ZINC000347414268 359392588 /nfs/dbraw/zinc/39/25/88/359392588.db2.gz GESOFPYHYBNNAO-PLNGDYQASA-N -2 3 271.276 1.683 20 0 CDADHL CO[C@H](C)CS(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1 ZINC000282161983 367753709 /nfs/dbraw/zinc/75/37/09/367753709.db2.gz GVJLATCPOXJAEV-SECBINFHSA-N -2 3 287.337 1.090 20 0 CDADHL O=C([O-])c1ccc([N-]S(=O)(=O)Cc2ccon2)cc1 ZINC000547559904 369584481 /nfs/dbraw/zinc/58/44/81/369584481.db2.gz XCZBTYMQYLAPBO-UHFFFAOYSA-N -2 3 282.277 1.315 20 0 CDADHL CCCc1nc(=NC(=O)Cc2cncc([O-])c2)s[n-]1 ZINC000574770080 295052880 /nfs/dbraw/zinc/05/28/80/295052880.db2.gz HDFYDTJDJFHRMY-UHFFFAOYSA-N -2 3 278.337 1.194 20 0 CDADHL CCc1ccc(C(=O)NCCc2c(C)[n-][nH]c2=O)c([O-])c1 ZINC000526051175 390913846 /nfs/dbraw/zinc/91/38/46/390913846.db2.gz RDSONKOZSMYIBR-NSHDSACASA-N -2 3 289.335 1.196 20 0 CDADHL O=C(/C=C/c1cncc([O-])c1)[N-]O[C@H]1CCCCO1 ZINC000181949373 391197484 /nfs/dbraw/zinc/19/74/84/391197484.db2.gz CRCXINADUODVFM-IHVVCDCBSA-N -2 3 264.281 1.375 20 0 CDADHL CCOc1ccccc1C(F)(F)C(=O)[N-]C1(C(=O)[O-])CC1 ZINC000191076477 130180031 /nfs/dbraw/zinc/18/00/31/130180031.db2.gz FBYFUVHXUJJNMR-UHFFFAOYSA-N -2 3 299.273 1.911 20 0 CDADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3C[C@@H]3C2)cc1C(=O)[O-] ZINC000646060399 391958128 /nfs/dbraw/zinc/95/81/28/391958128.db2.gz OOFYUWZWYDFTSW-OPRDCNLKSA-N -2 3 299.348 1.753 20 0 CDADHL Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])[C@@H](C3CC3)C2)c([O-])c1 ZINC000262690408 131251787 /nfs/dbraw/zinc/25/17/87/131251787.db2.gz CBXVWDPMLFSFLG-OLZOCXBDSA-N -2 3 289.331 1.883 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@@]23C[C@@H]2CCC3)oc1C(=O)[O-] ZINC000663428485 412192599 /nfs/dbraw/zinc/19/25/99/412192599.db2.gz SUOMXJHPWNWYKR-UFBFGSQYSA-N -2 3 285.321 1.507 20 0 CDADHL O=C([O-])[C@H](C(=O)NCc1ncccc1[O-])C1CCCC1 ZINC000663040700 413852287 /nfs/dbraw/zinc/85/22/87/413852287.db2.gz FFUJVTWMKBXMKH-LBPRGKRZSA-N -2 3 278.308 1.294 20 0 CDADHL O=C([O-])CCC[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000037461929 173224987 /nfs/dbraw/zinc/22/49/87/173224987.db2.gz BSDJBCBFPRTHJA-UHFFFAOYSA-N -2 3 295.719 1.622 20 0 CDADHL CSc1ccc([O-])c(C(=O)NC[C@@H](C)C(=O)[O-])c1 ZINC000659766087 414091950 /nfs/dbraw/zinc/09/19/50/414091950.db2.gz HSSIUUOHMWWQAC-SSDOTTSWSA-N -2 3 269.322 1.565 20 0 CDADHL CC[C@@H](C(=O)[O-])N(C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001590371157 1173377238 /nfs/dbraw/zinc/37/72/38/1173377238.db2.gz SABQAEWAWUILSQ-JTQLQIEISA-N -2 3 295.730 1.820 20 0 CDADHL COc1ccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c([O-])c1 ZINC000019518809 295082292 /nfs/dbraw/zinc/08/22/92/295082292.db2.gz QNDCYESCMRKFIZ-LLVKDONJSA-N -2 3 279.292 1.480 20 0 CDADHL CC(=O)c1cccc(NC(=O)c2ncccc2[O-])c1[O-] ZINC000576426833 317137197 /nfs/dbraw/zinc/13/71/97/317137197.db2.gz VQVPYVMNCWHCNQ-UHFFFAOYSA-N -2 3 272.260 1.948 20 0 CDADHL CC(C)[C@@H](C)C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000579106755 324105141 /nfs/dbraw/zinc/10/51/41/324105141.db2.gz ZRXRTAVPMZPJPB-ZETCQYMHSA-N -2 3 292.382 1.412 20 0 CDADHL COc1ccc([O-])c(C(=O)N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)c1 ZINC000582910153 325069428 /nfs/dbraw/zinc/06/94/28/325069428.db2.gz JCGQKFCTPLNKTE-RFAUZJTJSA-N -2 3 293.319 1.584 20 0 CDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)C1CC1 ZINC000054504929 526313907 /nfs/dbraw/zinc/31/39/07/526313907.db2.gz BCSSEPYCFODIEY-SNVBAGLBSA-N -2 3 291.275 1.106 20 0 CDADHL Cc1nc2c(c(=O)[n-]1)CN(Cc1ccc(C(=O)[O-])s1)C2 ZINC001600717324 1174578483 /nfs/dbraw/zinc/57/84/83/1174578483.db2.gz CFLWPICBOXLCON-UHFFFAOYSA-N -2 3 291.332 1.766 20 0 CDADHL O=C(Nc1ccc2[n-]c(=S)oc2c1)c1nc[n-]n1 ZINC000746225691 576763665 /nfs/dbraw/zinc/76/36/65/576763665.db2.gz YFGBBNBFVIXTLL-UHFFFAOYSA-N -2 3 261.266 1.487 20 0 CDADHL Cc1ccc([O-])c(CNCc2ccc(C(=O)[O-])o2)n1 ZINC000738636590 576098173 /nfs/dbraw/zinc/09/81/73/576098173.db2.gz RQRZMAMBELYZAN-UHFFFAOYSA-N -2 3 262.265 1.677 20 0 CDADHL Nc1ccc(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)c([O-])c1 ZINC000763092710 576711934 /nfs/dbraw/zinc/71/19/34/576711934.db2.gz RLCWQDLMFNISFG-UHFFFAOYSA-N -2 3 288.259 1.631 20 0 CDADHL CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C(=O)[O-])C(C)C)c1 ZINC000819788782 597392899 /nfs/dbraw/zinc/39/28/99/597392899.db2.gz NEFUOODMRLMSMZ-GFCCVEGCSA-N -2 3 294.307 1.190 20 0 CDADHL O=C([O-])[C@H]1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000062118481 597503953 /nfs/dbraw/zinc/50/39/53/597503953.db2.gz PLFKIBZTEZKQMH-VIFPVBQESA-N -2 3 286.287 1.075 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]Cc2ccccc2)cc1C(=O)[O-] ZINC000833027160 601214283 /nfs/dbraw/zinc/21/42/83/601214283.db2.gz QMKOVTXAHBRJOV-UHFFFAOYSA-N -2 3 295.316 1.765 20 0 CDADHL Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc(C(=O)[O-])s1 ZINC000833003769 601845775 /nfs/dbraw/zinc/84/57/75/601845775.db2.gz WCKXPDBPCWFPOG-UHFFFAOYSA-N -2 3 295.276 1.208 20 0 CDADHL O=C(Nc1ncccc1[O-])c1ccc(-c2nnn[n-]2)s1 ZINC000823383052 606591199 /nfs/dbraw/zinc/59/11/99/606591199.db2.gz KJQKHFTXSBKPKE-UHFFFAOYSA-N -2 3 288.292 1.281 20 0 CDADHL Cc1ccc(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])c([O-])c1 ZINC000910446808 629071502 /nfs/dbraw/zinc/07/15/02/629071502.db2.gz NXKDJKWTXPOZEO-WPRPVWTQSA-N -2 3 267.256 1.338 20 0 CDADHL CC(C)(CCC(=O)[O-])C(=O)[N-]O[C@@H]1CCCCO1 ZINC000911801223 629529886 /nfs/dbraw/zinc/52/98/86/629529886.db2.gz UVCGECYYRSPTEK-SNVBAGLBSA-N -2 3 259.302 1.452 20 0 CDADHL COc1ccccc1CO[N-]C(=O)C[C@@H](C)CC(=O)[O-] ZINC000911807314 629538238 /nfs/dbraw/zinc/53/82/38/629538238.db2.gz ZHQSIAPOABERKA-SNVBAGLBSA-N -2 3 281.308 1.744 20 0 CDADHL CC(C)[C@@H](CO)O[N-]C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000911810655 629542556 /nfs/dbraw/zinc/54/25/56/629542556.db2.gz CHZZEPZCRLYXRU-VCANKDNSSA-N -2 3 299.367 1.476 20 0 CDADHL CCCOc1cccc(CC(=O)[N-]OCCCC(=O)[O-])c1 ZINC001605344081 1163530826 /nfs/dbraw/zinc/53/08/26/1163530826.db2.gz YEUUKDCRNMEJJT-UHFFFAOYSA-N -2 3 295.335 1.931 20 0 CDADHL CCc1ccc(C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001605804746 1163677265 /nfs/dbraw/zinc/67/72/65/1163677265.db2.gz LKNRUUNLOTVSOO-ZANVPECISA-N -2 3 293.319 1.269 20 0 CDADHL Cc1[nH]nc(S(=O)(=O)[N-]C2CC3(CCC3)C2)c1C(=O)[O-] ZINC001607940608 1164346405 /nfs/dbraw/zinc/34/64/05/1164346405.db2.gz SBAXPMODOMKFNM-UHFFFAOYSA-N -2 3 299.352 1.027 20 0 CDADHL O=C([O-])[C@H]1CCC[C@H]1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC001608410284 1164511519 /nfs/dbraw/zinc/51/15/19/1164511519.db2.gz QZNAAIGANXMIRS-IONNQARKSA-N -2 3 293.275 1.104 20 0 CDADHL O=C([O-])[C@@H](CN=c1ncnc2[nH][n-]cc1-2)C1CCCCC1 ZINC001608539298 1164538381 /nfs/dbraw/zinc/53/83/81/1164538381.db2.gz AHVJQNRCIXZMBM-JTQLQIEISA-N -2 3 289.339 1.419 20 0 CDADHL CCc1ccc([O-])c(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)c1 ZINC001610063227 1165201151 /nfs/dbraw/zinc/20/11/51/1165201151.db2.gz TVEDVQBESOVJLQ-ONGXEEELSA-N -2 3 277.320 1.890 20 0 CDADHL Cc1cc(C)c(C(=O)NCc2nc([O-])cc(=O)[n-]2)o1 ZINC001641493409 1167112266 /nfs/dbraw/zinc/11/22/66/1167112266.db2.gz PCYDSCGAIUXSKE-UHFFFAOYSA-N -2 3 263.253 1.028 20 0 CDADHL CC(C)C[C@H](NC(=O)c1cccc2n[n-]nc21)C(=O)[O-] ZINC001588905303 1173112515 /nfs/dbraw/zinc/11/25/15/1173112515.db2.gz OBZHGNJMDDXTQA-JTQLQIEISA-N -2 3 276.296 1.187 20 0 CDADHL CC[C@H](C)[C@H](Nc1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001590868114 1173534446 /nfs/dbraw/zinc/53/44/46/1173534446.db2.gz XNCBUANTKAPQEH-CPCISQLKSA-N -2 3 293.302 1.917 20 0 CDADHL CC[C@H](C)[C@H](Nc1ccc(F)cc1-c1nn[n-]n1)C(=O)[O-] ZINC001590868114 1173534451 /nfs/dbraw/zinc/53/44/51/1173534451.db2.gz XNCBUANTKAPQEH-CPCISQLKSA-N -2 3 293.302 1.917 20 0 CDADHL O=C([O-])c1ccccc1CC(=O)[N-]OC/C=C\Cl ZINC001601368519 1174846929 /nfs/dbraw/zinc/84/69/29/1174846929.db2.gz WYWLXKHUINCDRQ-UTCJRWHESA-N -2 3 269.684 1.728 20 0 CDADHL O=C([O-])CCN(CC(=O)[O-])Cc1cc(F)ccc1Cl ZINC001602004988 1175108292 /nfs/dbraw/zinc/10/82/92/1175108292.db2.gz RUTQFQXCZDXCAY-UHFFFAOYSA-N -2 3 289.690 1.840 20 0 CDADHL O=C([O-])CC[C@@H]1CC[C@H](C(=O)Nc2ncccc2[O-])O1 ZINC001602037603 1175116265 /nfs/dbraw/zinc/11/62/65/1175116265.db2.gz RBFQUCVOSGJBKQ-WCBMZHEXSA-N -2 3 280.280 1.138 20 0 CDADHL O=C([O-])c1ccc(CN[C@@H](CC(F)F)C(=O)[O-])c(F)c1 ZINC001602347336 1175219378 /nfs/dbraw/zinc/21/93/78/1175219378.db2.gz TXUTUSLXGXUQCX-VIFPVBQESA-N -2 3 291.225 1.722 20 0 CDADHL O=C([O-])c1ccsc1NC(=O)c1cccc2n[n-]nc21 ZINC001602490983 1175261519 /nfs/dbraw/zinc/26/15/19/1175261519.db2.gz YXVTZAFNWJYWPW-UHFFFAOYSA-N -2 3 288.288 1.970 20 0 CDADHL CC(C)([N-]S(=O)(=O)CC1(CC(=O)[O-])CC1)C(F)F ZINC001603686091 1175597731 /nfs/dbraw/zinc/59/77/31/1175597731.db2.gz NOZUUDKWINGBGG-UHFFFAOYSA-N -2 3 285.312 1.204 20 0 CDADHL C[C@@H]1CCc2c(=O)n(Cc3cccc(-c4nn[n-]n4)c3)[n-]c21 ZINC001603880722 1175667733 /nfs/dbraw/zinc/66/77/33/1175667733.db2.gz HDMVUFUTKUFXFM-BXKDBHETSA-N -2 3 296.334 1.611 20 0 CDADHL CC(C)OCCO[N-]C(=O)/C=C/c1cc(C(=O)[O-])co1 ZINC001603925720 1175687813 /nfs/dbraw/zinc/68/78/13/1175687813.db2.gz RHXKPHRHRASNEE-ONEGZZNKSA-N -2 3 283.280 1.464 20 0 CDADHL COC(=O)c1coc(C(=O)[N-]c2cc(C(=O)[O-])no2)c1 ZINC001606631466 1163941179 /nfs/dbraw/zinc/94/11/79/1163941179.db2.gz RXFBBNYFZYNYFA-UHFFFAOYSA-N -2 3 280.192 1.005 20 0 CDADHL CSc1ccc([O-])c(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])c1 ZINC001607409768 1164170579 /nfs/dbraw/zinc/17/05/79/1164170579.db2.gz HPFDTDLVCQOKDE-XVKPBYJWSA-N -2 3 299.323 1.751 20 0 CDADHL O=C([O-])CCNC(=O)c1cc([O-])c2ccccc2c1 ZINC001608730125 1164623781 /nfs/dbraw/zinc/62/37/81/1164623781.db2.gz XPESUIZKIVPYMB-UHFFFAOYSA-N -2 3 259.261 1.750 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccco2)c1 ZINC001608990608 1164712464 /nfs/dbraw/zinc/71/24/64/1164712464.db2.gz GVXVZBKEWCDAKA-RKDXNWHRSA-N -2 3 297.288 1.405 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]CCC2CCC2)oc1C(=O)[O-] ZINC000853231701 811356837 /nfs/dbraw/zinc/35/68/37/811356837.db2.gz YLNLJDYEKHWOMH-UHFFFAOYSA-N -2 3 287.337 1.755 20 0 CDADHL CC(C)(CC(=O)[O-])CC(=O)[N-]OCCC(F)(F)F ZINC000314932275 812873677 /nfs/dbraw/zinc/87/36/77/812873677.db2.gz NWQRPBSGCLWMJB-UHFFFAOYSA-N -2 3 271.235 1.878 20 0 CDADHL COc1ccc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)c([O-])c1 ZINC000263359806 814755007 /nfs/dbraw/zinc/75/50/07/814755007.db2.gz RRXZGZPSDIWOIR-VHSXEESVSA-N -2 3 293.319 1.584 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])NCCC(F)(F)F ZINC001187030651 920302526 /nfs/dbraw/zinc/30/25/26/920302526.db2.gz LQKDDDCNMCJMGV-UHFFFAOYSA-N -2 3 292.194 1.196 20 0 CDADHL Cc1[nH]ccc1C(=O)NCCCCP(=O)([O-])[O-] ZINC001188162037 920873340 /nfs/dbraw/zinc/87/33/40/920873340.db2.gz HGBAJIVBJUVQAW-UHFFFAOYSA-N -2 3 260.230 1.011 20 0 CDADHL COc1nc(S(=O)(=O)[N-][C@@H]2[CH]CC=C2)ccc1F ZINC001190132936 921883196 /nfs/dbraw/zinc/88/31/96/921883196.db2.gz SRGQZXOEAKUWIO-QMMMGPOBSA-N -2 3 271.293 1.040 20 0 CDADHL Cc1ccc(C(=O)NCCCCP(=O)([O-])[O-])[nH]1 ZINC001193916883 923981730 /nfs/dbraw/zinc/98/17/30/923981730.db2.gz LGHPZSNYDJKOJV-UHFFFAOYSA-N -2 3 260.230 1.011 20 0 CDADHL CS(=O)(=O)[N-]c1ccsc1C(=O)[N-]c1cnoc1 ZINC001196721367 924969758 /nfs/dbraw/zinc/96/97/58/924969758.db2.gz JGBHQQWYVUZJAE-UHFFFAOYSA-N -2 3 287.322 1.360 20 0 CDADHL O=S(=O)(Cc1ccccn1)[N-]c1ccc(F)cc1[O-] ZINC001197823943 925247492 /nfs/dbraw/zinc/24/74/92/925247492.db2.gz AVWSSQJQVOADRH-UHFFFAOYSA-N -2 3 282.296 1.868 20 0 CDADHL CC(C)n1ccnc1C(=O)NCCCCP(=O)([O-])[O-] ZINC001199415667 925707533 /nfs/dbraw/zinc/70/75/33/925707533.db2.gz QXVNOHBJKGOMPJ-UHFFFAOYSA-N -2 3 289.272 1.152 20 0 CDADHL O=S(=O)([O-])c1cccc(NCc2ncccc2[O-])c1 ZINC001169733700 928401551 /nfs/dbraw/zinc/40/15/51/928401551.db2.gz XSSLHQMXJVDEKN-UHFFFAOYSA-N -2 3 280.305 1.646 20 0 CDADHL Cc1cccc2c1[C@H](Oc1nc(=O)[n-]c(=O)[n-]1)CC2 ZINC001227569022 942191182 /nfs/dbraw/zinc/19/11/82/942191182.db2.gz SHLHQPODSZOIOL-SECBINFHSA-N -2 3 259.265 1.658 20 0 CDADHL C[C@@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1ccncc1F ZINC001233938203 943695637 /nfs/dbraw/zinc/69/56/37/943695637.db2.gz BDBDQGCXLOJYNP-ZCFIWIBFSA-N -2 3 275.243 1.320 20 0 CDADHL O=C([O-])c1cccc(-c2cncc(-c3nnn[n-]3)c2)c1 ZINC001241358786 946234124 /nfs/dbraw/zinc/23/41/24/946234124.db2.gz IZTDAMYGXCOBTN-UHFFFAOYSA-N -2 3 267.248 1.627 20 0 CDADHL O=C([O-])c1cccc(-c2cncc(-c3nn[n-]n3)c2)c1 ZINC001241358786 946234130 /nfs/dbraw/zinc/23/41/30/946234130.db2.gz IZTDAMYGXCOBTN-UHFFFAOYSA-N -2 3 267.248 1.627 20 0 CDADHL COc1nc([N-]S(=O)(=O)c2ccccc2F)cc(=O)[n-]1 ZINC001255410994 947856945 /nfs/dbraw/zinc/85/69/45/947856945.db2.gz TZIUNJUOLZGDCQ-UHFFFAOYSA-N -2 3 299.283 1.131 20 0 CDADHL O=C([O-])[C@H](CC(F)F)NC(=O)c1ccccc1[O-] ZINC000385865237 972018895 /nfs/dbraw/zinc/01/88/95/972018895.db2.gz XNNOLDDYWUEUPF-ZETCQYMHSA-N -2 3 259.208 1.230 20 0 CDADHL O=C([O-])[C@H]1C[C@@H](NC(=O)c2cc(=O)[n-]cn2)c2ccccc21 ZINC001594726888 957014763 /nfs/dbraw/zinc/01/47/63/957014763.db2.gz PCHVALRKJYGXFX-WDEREUQCSA-N -2 3 299.286 1.225 20 0 CDADHL Cc1cnccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000111043333 958407086 /nfs/dbraw/zinc/40/70/86/958407086.db2.gz MXTPVUJPGGAKAE-UHFFFAOYSA-N -2 3 281.293 1.217 20 0 CDADHL COc1ccc([O-])c(-c2nc([C@H](C)C(=O)[O-])no2)c1 ZINC001594106470 958472038 /nfs/dbraw/zinc/47/20/38/958472038.db2.gz VVKBJXPJFUBHEL-LURJTMIESA-N -2 3 264.237 1.639 20 0 CDADHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1ccnc(C2CC2)c1 ZINC001434230106 961103634 /nfs/dbraw/zinc/10/36/34/961103634.db2.gz BZRPAIUIEVHFBV-UHFFFAOYSA-N -2 3 286.291 1.090 20 0 CDADHL CCc1cc(=O)[n-]c(CN([C@@H](C)C(=O)[O-])C2CC2)n1 ZINC001610423310 970741526 /nfs/dbraw/zinc/74/15/26/970741526.db2.gz BOXJLFPXMOVRLI-QMMMGPOBSA-N -2 3 265.313 1.182 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]Cc2ccc(O)cc2)c1 ZINC000694220821 976685360 /nfs/dbraw/zinc/68/53/60/976685360.db2.gz CQZVKUCNRJIJAU-UHFFFAOYSA-N -2 3 297.288 1.162 20 0 CDADHL CCC(CC)(CC(=O)[O-])NC(=O)c1ccc(O)cc1[O-] ZINC001595053453 979287158 /nfs/dbraw/zinc/28/71/58/979287158.db2.gz QMOUVTJAAIDLJG-UHFFFAOYSA-N -2 3 281.308 1.861 20 0 CDADHL CC(F)(F)C(=O)[N-][C@H](C(=O)[O-])c1ccccc1F ZINC001592934867 979994146 /nfs/dbraw/zinc/99/41/46/979994146.db2.gz SWIUGAPXYBTTMD-QMMMGPOBSA-N -2 3 261.199 1.723 20 0 CDADHL CC(C)N(CCC(=O)[O-])C(=O)c1ccc(N)cc1[O-] ZINC001591582060 992790647 /nfs/dbraw/zinc/79/06/47/992790647.db2.gz CGAYBWSAOGBOMM-UHFFFAOYSA-N -2 3 266.297 1.300 20 0 CDADHL COc1cccc(C)c1[N-]S(=O)(=O)CCC(=O)[O-] ZINC001599662059 994671233 /nfs/dbraw/zinc/67/12/33/994671233.db2.gz VYSRJBMDXNGODG-UHFFFAOYSA-N -2 3 273.310 1.220 20 0 CDADHL COc1cccc(C(=O)Nc2[nH]nc(C(=O)[O-])c2C)c1[O-] ZINC001574041980 1170870363 /nfs/dbraw/zinc/87/03/63/1170870363.db2.gz IHJXXKYCXZGUMR-UHFFFAOYSA-N -2 3 291.263 1.383 20 0 CDADHL CC1(C)C[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000232896723 342033868 /nfs/dbraw/zinc/03/38/68/342033868.db2.gz JZAIXIOGCHYAON-QMMMGPOBSA-N -2 3 289.378 1.771 20 0 CDADHL COc1ccc([O-])c(C(=O)NC[C@@H](CC2CC2)C(=O)[O-])c1 ZINC000405375814 349787009 /nfs/dbraw/zinc/78/70/09/349787009.db2.gz HKKKHKWAUHTSIG-SNVBAGLBSA-N -2 3 293.319 1.632 20 0 CDADHL CC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000127118202 187283683 /nfs/dbraw/zinc/28/36/83/187283683.db2.gz NMEVTYIZIBTNFW-MRVPVSSYSA-N -2 3 295.719 1.621 20 0 CDADHL Cc1cccc([O-])c1C(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000626237827 344175374 /nfs/dbraw/zinc/17/53/74/344175374.db2.gz JGJFGNWNZVKDEN-JTQLQIEISA-N -2 3 287.323 1.234 20 0 CDADHL Cc1cccc([O-])c1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000626237827 344175375 /nfs/dbraw/zinc/17/53/75/344175375.db2.gz JGJFGNWNZVKDEN-JTQLQIEISA-N -2 3 287.323 1.234 20 0 CDADHL CC(C)OCCS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000091946151 180290750 /nfs/dbraw/zinc/29/07/50/180290750.db2.gz WMACVYWQKZXEBJ-UHFFFAOYSA-N -2 3 287.337 1.552 20 0 CDADHL C[C@@H]1CCc2[n-]n(-c3cn[n-]c(=O)c3Cl)c(=O)c21 ZINC000634587457 356468387 /nfs/dbraw/zinc/46/83/87/356468387.db2.gz OSDBETASBQWQTE-XRGYYRRGSA-N -2 3 266.688 1.584 20 0 CDADHL O=C([O-])c1cccc([N-]S(=O)(=O)C[C@H]2CCCO2)c1 ZINC000063155395 357508193 /nfs/dbraw/zinc/50/81/93/357508193.db2.gz GPRVSYUGUHFUER-LLVKDONJSA-N -2 3 285.321 1.306 20 0 CDADHL CCC[C@H](NC(=O)c1ccc(CC)cc1[O-])c1nnn[n-]1 ZINC000188278532 357871420 /nfs/dbraw/zinc/87/14/20/357871420.db2.gz CJXQIRYLPVTIPA-NSHDSACASA-N -2 3 289.339 1.739 20 0 CDADHL CCC[C@H](NC(=O)c1ccc(CC)cc1[O-])c1nn[n-]n1 ZINC000188278532 357871423 /nfs/dbraw/zinc/87/14/23/357871423.db2.gz CJXQIRYLPVTIPA-NSHDSACASA-N -2 3 289.339 1.739 20 0 CDADHL O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1c([O-])cccc1F ZINC000436965470 361623049 /nfs/dbraw/zinc/62/30/49/361623049.db2.gz SCXOHNQIXNWMMO-UHFFFAOYSA-N -2 3 299.265 1.964 20 0 CDADHL O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1c([O-])cccc1F ZINC000436965470 361623050 /nfs/dbraw/zinc/62/30/50/361623050.db2.gz SCXOHNQIXNWMMO-UHFFFAOYSA-N -2 3 299.265 1.964 20 0 CDADHL O=C([O-])C1([N-]S(=O)(=O)c2ccccc2F)CCC1 ZINC000164947241 364844169 /nfs/dbraw/zinc/84/41/69/364844169.db2.gz JWNWMJZYAUDYGF-UHFFFAOYSA-N -2 3 273.285 1.111 20 0 CDADHL O=C(NCc1ncccc1[O-])c1c(F)ccc([O-])c1F ZINC000565449874 370448936 /nfs/dbraw/zinc/44/89/36/370448936.db2.gz JSDLPSWAMIYRLL-UHFFFAOYSA-N -2 3 280.230 1.701 20 0 CDADHL O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)c1ccccc1[O-])C2 ZINC000263048044 304168014 /nfs/dbraw/zinc/16/80/14/304168014.db2.gz FEWNVNMOOBDRDW-ZUZCIYMTSA-N -2 3 275.304 1.719 20 0 CDADHL O=C(Nc1ncccc1[O-])c1c[n-]c2ccncc2c1=O ZINC000341105991 373300781 /nfs/dbraw/zinc/30/07/81/373300781.db2.gz VGTFPHRMIXOKMH-UHFFFAOYSA-N -2 3 282.259 1.276 20 0 CDADHL CCn1cc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])cn1 ZINC000342775078 374521881 /nfs/dbraw/zinc/52/18/81/374521881.db2.gz FGKFZNHLMHUWDP-UHFFFAOYSA-N -2 3 297.336 1.418 20 0 CDADHL CS[C@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000567896284 392284154 /nfs/dbraw/zinc/28/41/54/392284154.db2.gz WHPFKAQUAMQOKX-ZCFIWIBFSA-N -2 3 279.339 1.008 20 0 CDADHL CC(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000649459266 397734804 /nfs/dbraw/zinc/73/48/04/397734804.db2.gz XQFFIJCUNDNANV-JTQLQIEISA-N -2 3 289.295 1.162 20 0 CDADHL CC(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000649459266 397734809 /nfs/dbraw/zinc/73/48/09/397734809.db2.gz XQFFIJCUNDNANV-JTQLQIEISA-N -2 3 289.295 1.162 20 0 CDADHL O=C([O-])c1ccc(CNC(=O)c2ccc3n[n-]nc3c2)o1 ZINC000094554443 147091651 /nfs/dbraw/zinc/09/16/51/147091651.db2.gz NIUIYZFYFZDLSL-UHFFFAOYSA-N -2 3 286.247 1.179 20 0 CDADHL COC[C@](C)(CC(=O)[O-])NC(=O)c1cc(OC)ccc1[O-] ZINC000262834207 149120148 /nfs/dbraw/zinc/12/01/48/149120148.db2.gz RZTXRTQMNDKJDJ-AWEZNQCLSA-N -2 3 297.307 1.010 20 0 CDADHL CC(C)C[C@@H](NC(=O)c1ccc(O)cc1[O-])C(=O)[O-] ZINC000022214943 171375596 /nfs/dbraw/zinc/37/55/96/171375596.db2.gz GVBFTHXIGWHFSQ-SNVBAGLBSA-N -2 3 267.281 1.327 20 0 CDADHL O=C([O-])[C@H](C(=O)Nc1cc(F)ccc1[O-])C1CC1 ZINC000663059247 413872952 /nfs/dbraw/zinc/87/29/52/413872952.db2.gz CUOTWTSFCADUOK-JTQLQIEISA-N -2 3 253.229 1.581 20 0 CDADHL CO[C@](C)(C(=O)[O-])C(=O)Nc1ccc(Cl)cc1[O-] ZINC000663040649 413851202 /nfs/dbraw/zinc/85/12/02/413851202.db2.gz RJLSYMJRQFZSEJ-NSHDSACASA-N -2 3 273.672 1.474 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CC=CCC2)oc1C(=O)[O-] ZINC000663422310 414242799 /nfs/dbraw/zinc/24/27/99/414242799.db2.gz JLOACVZCWOPKDS-SECBINFHSA-N -2 3 285.321 1.673 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]C2(C)CCC2)oc1C(=O)[O-] ZINC000663423849 414245014 /nfs/dbraw/zinc/24/50/14/414245014.db2.gz ZNYOPSBFITZIRA-UHFFFAOYSA-N -2 3 273.310 1.507 20 0 CDADHL O=C([O-])C[C@@H]1CCCCN1C(=O)c1cccc([O-])c1 ZINC000038026144 174011280 /nfs/dbraw/zinc/01/12/80/174011280.db2.gz ZHYVZTXVILLSQK-NSHDSACASA-N -2 3 263.293 1.862 20 0 CDADHL CCC[C@H](NC(=O)c1cccc(C)c1[O-])c1nnn[n-]1 ZINC000095287809 265301755 /nfs/dbraw/zinc/30/17/55/265301755.db2.gz ZFMXMURZDAIKTG-JTQLQIEISA-N -2 3 275.312 1.485 20 0 CDADHL CCC[C@H](NC(=O)c1cccc(C)c1[O-])c1nn[n-]n1 ZINC000095287809 265301759 /nfs/dbraw/zinc/30/17/59/265301759.db2.gz ZFMXMURZDAIKTG-JTQLQIEISA-N -2 3 275.312 1.485 20 0 CDADHL C/C=C\C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000573799538 294888582 /nfs/dbraw/zinc/88/85/82/294888582.db2.gz VVGGEKDFVGSLTP-YAJNLLPGSA-N -2 3 275.351 1.446 20 0 CDADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-][C@H]1CCC[C@H]1F ZINC000414321471 302870413 /nfs/dbraw/zinc/87/04/13/302870413.db2.gz FADHOPAEGCREFE-SFYZADRCSA-N -2 3 291.300 1.455 20 0 CDADHL CO[C@H](C)CS(=O)(=O)[N-]c1cccc([O-])c1F ZINC000193337728 323530057 /nfs/dbraw/zinc/53/00/57/323530057.db2.gz QWKOVVMOMBELBW-SSDOTTSWSA-N -2 3 263.290 1.308 20 0 CDADHL C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000583142289 325114699 /nfs/dbraw/zinc/11/46/99/325114699.db2.gz LUVULNVPRSKDGI-VXNVDRBHSA-N -2 3 273.310 1.445 20 0 CDADHL CCc1cc(=O)[n-]c(CN2C[C@@H](C)[C@@](C)(C(=O)[O-])C2)n1 ZINC000583877649 325259450 /nfs/dbraw/zinc/25/94/50/325259450.db2.gz TXBWTEUKXNBHNO-OTYXRUKQSA-N -2 3 279.340 1.287 20 0 CDADHL CO[C@H](C)CS(=O)(=O)[N-]c1cccc(C)c1[O-] ZINC000193332964 482315266 /nfs/dbraw/zinc/31/52/66/482315266.db2.gz XXEMUIIKCJUIKN-SECBINFHSA-N -2 3 259.327 1.477 20 0 CDADHL CC(C)(C)CC[C@H](N=c1ncnc2[nH][n-]cc1-2)C(=O)[O-] ZINC000416437738 534602309 /nfs/dbraw/zinc/60/23/09/534602309.db2.gz ICRBRTKISCQJQU-VIFPVBQESA-N -2 3 277.328 1.418 20 0 CDADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CC2)c1 ZINC000054505351 524832417 /nfs/dbraw/zinc/83/24/17/524832417.db2.gz WOXWQUJBLWZPAK-LLVKDONJSA-N -2 3 287.312 1.276 20 0 CDADHL Cc1noc(C)c1C(=O)[N-]c1nc(C(=O)[O-])ns1 ZINC001600806606 1174620507 /nfs/dbraw/zinc/62/05/07/1174620507.db2.gz KBBNJUHDQHLZPM-UHFFFAOYSA-N -2 3 268.254 1.093 20 0 CDADHL O=C([O-])N1CCC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC000739387113 576223224 /nfs/dbraw/zinc/22/32/24/576223224.db2.gz GUYWDXBAIGPCJW-SECBINFHSA-N -2 3 264.281 1.264 20 0 CDADHL Cc1ccc([O-])c(C(=O)NCCc2n[n-]c(=S)o2)c1 ZINC000773095415 575781789 /nfs/dbraw/zinc/78/17/89/575781789.db2.gz FLJNJZWNAPGVIN-UHFFFAOYSA-N -2 3 279.321 1.345 20 0 CDADHL O=C([O-])Cc1cccc(NC(=O)c2c([O-])cccc2O)c1 ZINC000232429559 598153417 /nfs/dbraw/zinc/15/34/17/598153417.db2.gz APTIXGNKHNCQQE-UHFFFAOYSA-N -2 3 287.271 1.977 20 0 CDADHL C[C@@]1(C(=O)[O-])CCN(C(=O)c2cc3c(cc2[O-])OCO3)C1 ZINC000828012651 602053329 /nfs/dbraw/zinc/05/33/29/602053329.db2.gz INACTDUNZYEXCY-CQSZACIVSA-N -2 3 293.275 1.058 20 0 CDADHL CC(C)([N-]S(=O)(=O)c1csnc1C(=O)[O-])C1CC1 ZINC000833460337 605039674 /nfs/dbraw/zinc/03/96/74/605039674.db2.gz CAYVIJGLIOSVLW-UHFFFAOYSA-N -2 3 290.366 1.308 20 0 CDADHL O=C([O-])c1cc(C=Cc2ccc(-c3nnn[n-]3)cc2)ncn1 ZINC000826461086 607813196 /nfs/dbraw/zinc/81/31/96/607813196.db2.gz FSENBPYJRRTFDF-ZZXKWVIFSA-N -2 3 294.274 1.525 20 0 CDADHL O=C([O-])c1cc(C=Cc2ccc(-c3nn[n-]n3)cc2)ncn1 ZINC000826461086 607813197 /nfs/dbraw/zinc/81/31/97/607813197.db2.gz FSENBPYJRRTFDF-ZZXKWVIFSA-N -2 3 294.274 1.525 20 0 CDADHL CCCN(C(=O)NCc1ccc([O-])c(F)c1)[C@H](C)C(=O)[O-] ZINC000909047509 628490205 /nfs/dbraw/zinc/49/02/05/628490205.db2.gz HVARSBHTHVMBNN-SECBINFHSA-N -2 3 298.314 1.926 20 0 CDADHL CCC(CC)(NC(=O)NCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909048432 628490262 /nfs/dbraw/zinc/49/02/62/628490262.db2.gz MBHKPFCDSRWSOW-UHFFFAOYSA-N -2 3 298.314 1.974 20 0 CDADHL CC(=O)c1ccc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)cc1[O-] ZINC000909305933 628623311 /nfs/dbraw/zinc/62/33/11/628623311.db2.gz XAQVYMLCFJIVHE-CQSZACIVSA-N -2 3 295.266 1.234 20 0 CDADHL C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000909798644 628667178 /nfs/dbraw/zinc/66/71/78/628667178.db2.gz JDAYXGQGIISLHU-SCZZXKLOSA-N -2 3 281.283 1.395 20 0 CDADHL CCO[N-]C(=O)C[C@H](C(=O)[N-]OCC)c1ccc(C)cc1 ZINC000929712031 630710839 /nfs/dbraw/zinc/71/08/39/630710839.db2.gz JEGDDFIBTWTTDK-ZDUSSCGKSA-N -2 3 294.351 1.604 20 0 CDADHL C[C@@](CCF)(NC(=O)c1ccc(O)cc1[O-])C(=O)[O-] ZINC001604139084 1163101862 /nfs/dbraw/zinc/10/18/62/1163101862.db2.gz FNJFDVIVBKWUHA-LBPRGKRZSA-N -2 3 271.244 1.031 20 0 CDADHL COc1nc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)n[n-]1 ZINC001607358153 1164157380 /nfs/dbraw/zinc/15/73/80/1164157380.db2.gz PUXQVUVAKIQWJT-UHFFFAOYSA-N -2 3 294.311 1.177 20 0 CDADHL COc1n[n-]c(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)n1 ZINC001607358153 1164157386 /nfs/dbraw/zinc/15/73/86/1164157386.db2.gz PUXQVUVAKIQWJT-UHFFFAOYSA-N -2 3 294.311 1.177 20 0 CDADHL O=C([O-])C[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000095159527 1166600448 /nfs/dbraw/zinc/60/04/48/1166600448.db2.gz LEVDYLGCNYMJPQ-LBPRGKRZSA-N -2 3 287.323 1.700 20 0 CDADHL CN(Cc1nc(=O)c2sccc2[n-]1)C[C@@H]1C[C@H]1C(=O)[O-] ZINC001573877164 1170818776 /nfs/dbraw/zinc/81/87/76/1170818776.db2.gz GQJKCYFIIPIYHQ-JGVFFNPUSA-N -2 3 293.348 1.549 20 0 CDADHL CC(C)O[N-]C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001589750425 1173174098 /nfs/dbraw/zinc/17/40/98/1173174098.db2.gz ZTMXUIXQZIJEQJ-UHFFFAOYSA-N -2 3 287.323 1.355 20 0 CDADHL CC(C)O[N-]C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001589750425 1173174100 /nfs/dbraw/zinc/17/41/00/1173174100.db2.gz ZTMXUIXQZIJEQJ-UHFFFAOYSA-N -2 3 287.323 1.355 20 0 CDADHL CC[C@H](C)[C@H](Nc1ccc(-c2nn[n-]n2)cn1)C(=O)[O-] ZINC001590868113 1173532750 /nfs/dbraw/zinc/53/27/50/1173532750.db2.gz XMGWKKMJQLPJLL-XVKPBYJWSA-N -2 3 276.300 1.173 20 0 CDADHL O=C([O-])[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)C1CCC1 ZINC001593276034 1174045315 /nfs/dbraw/zinc/04/53/15/1174045315.db2.gz IWUQTAVHZPMZFX-JTQLQIEISA-N -2 3 288.311 1.175 20 0 CDADHL O=C([O-])[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)C1CCC1 ZINC001593276034 1174045324 /nfs/dbraw/zinc/04/53/24/1174045324.db2.gz IWUQTAVHZPMZFX-JTQLQIEISA-N -2 3 288.311 1.175 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]Cc2ccccn2)oc1C(=O)[O-] ZINC001600300399 1174441574 /nfs/dbraw/zinc/44/15/74/1174441574.db2.gz NGBWIGOGBOWDGM-UHFFFAOYSA-N -2 3 296.304 1.160 20 0 CDADHL Cc1ccc(NC(=O)c2cc(=O)[n-]cn2)c(C(=O)[O-])c1 ZINC001600456562 1174481256 /nfs/dbraw/zinc/48/12/56/1174481256.db2.gz MSRNXYDKOVEVKC-UHFFFAOYSA-N -2 3 273.248 1.441 20 0 CDADHL Cn1ccnc1-c1noc([N-]Cc2cc(C(=O)[O-])co2)n1 ZINC001600981829 1174691548 /nfs/dbraw/zinc/69/15/48/1174691548.db2.gz ZXYBJTMEYWGASF-UHFFFAOYSA-N -2 3 289.251 1.373 20 0 CDADHL O=C([O-])[C@@H]1C[C@H](NC(=O)c2ccccc2[O-])[C@H]2C[C@H]21 ZINC001601573211 1174904415 /nfs/dbraw/zinc/90/44/15/1174904415.db2.gz KYNYEXITFHBLBK-YTWAJWBKSA-N -2 3 261.277 1.231 20 0 CDADHL O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)c1cccc2n[n-]nc21 ZINC001602106719 1175132491 /nfs/dbraw/zinc/13/24/91/1175132491.db2.gz TYNLKFCRBARGGS-WCBMZHEXSA-N -2 3 288.307 1.331 20 0 CDADHL CC(C)(CNC(=O)NCc1ccc([O-])c(F)c1)CC(=O)[O-] ZINC001603631977 1175583212 /nfs/dbraw/zinc/58/32/12/1175583212.db2.gz BCWLXXLXXUEEMS-UHFFFAOYSA-N -2 3 298.314 1.831 20 0 CDADHL CC(C)c1ccc(C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c([O-])c1 ZINC001603997174 1175710663 /nfs/dbraw/zinc/71/06/63/1175710663.db2.gz UJOPWPNBHGBDTE-ZYHUDNBSSA-N -2 3 293.319 1.176 20 0 CDADHL O=C([O-])[C@@H]1CCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC001608639392 1164585547 /nfs/dbraw/zinc/58/55/47/1164585547.db2.gz YDPYBCUPYGLCIM-VIFPVBQESA-N -2 3 289.209 1.710 20 0 CDADHL O=C([N-]N1CCc2ccccc2C1=O)c1ncccc1[O-] ZINC000779062993 818641541 /nfs/dbraw/zinc/64/15/41/818641541.db2.gz YHVNDOONOARUBE-UHFFFAOYSA-N -2 3 283.287 1.131 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@@H]2C=CCC2)c1 ZINC000711718734 818697445 /nfs/dbraw/zinc/69/74/45/818697445.db2.gz CIUZOUYVRDNKOL-MRVPVSSYSA-N -2 3 271.294 1.222 20 0 CDADHL C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871994546 821518229 /nfs/dbraw/zinc/51/82/29/821518229.db2.gz XLEHAEXBNIVFOL-APPZFPTMSA-N -2 3 273.310 1.445 20 0 CDADHL O=C(NCc1nnn[n-]1)c1cc2sccc2c([O-])c1 ZINC001565584345 1168156304 /nfs/dbraw/zinc/15/63/04/1168156304.db2.gz SKXSRGRASICJFJ-UHFFFAOYSA-N -2 3 275.293 1.050 20 0 CDADHL O=C([O-])Cn1cc(Nc2cc(=O)[n-]c(C3CC3)n2)cn1 ZINC001176265261 914032593 /nfs/dbraw/zinc/03/25/93/914032593.db2.gz FWOWQJJLDYWRSB-UHFFFAOYSA-N -2 3 275.268 1.084 20 0 CDADHL Nc1cncc(S(=O)(=O)[N-]c2cc([O-])cc(Cl)c2)c1 ZINC001176625221 914193884 /nfs/dbraw/zinc/19/38/84/914193884.db2.gz IHJOEUJCRJAZFC-UHFFFAOYSA-N -2 3 299.739 1.824 20 0 CDADHL Cc1cccc(NC(=S)NCCP(=O)([O-])[O-])c1 ZINC001198704070 925509120 /nfs/dbraw/zinc/50/91/20/925509120.db2.gz WOTOGMZFXHAAHI-UHFFFAOYSA-N -2 3 274.282 1.459 20 0 CDADHL CC(C)c1cccc(C(=O)NCc2nc([O-])cc(=O)[n-]2)n1 ZINC001413348527 935995486 /nfs/dbraw/zinc/99/54/86/935995486.db2.gz XCEPXVYNSKEEKA-UHFFFAOYSA-N -2 3 288.307 1.336 20 0 CDADHL CN(C)c1nc(Nc2cnc(F)c(C(=O)[O-])c2)cc(=O)[n-]1 ZINC001215102936 940857020 /nfs/dbraw/zinc/85/70/20/940857020.db2.gz IBTPJOGUEJFMLW-UHFFFAOYSA-N -2 3 293.258 1.224 20 0 CDADHL C[C@H](OCCP(=O)([O-])[O-])c1cnc2ccccn21 ZINC001224605189 941774757 /nfs/dbraw/zinc/77/47/57/941774757.db2.gz NBAZJMQCTINTLA-VIFPVBQESA-N -2 3 270.225 1.590 20 0 CDADHL COC1CCC(OCCCCP(=O)([O-])[O-])CC1 ZINC001225022295 941816008 /nfs/dbraw/zinc/81/60/08/941816008.db2.gz MHEMAZGIKCPTIQ-UHFFFAOYSA-N -2 3 266.274 1.919 20 0 CDADHL C[C@@H](Oc1nc(=O)[n-]c(=O)[n-]1)c1cccc(N(C)C)c1 ZINC001227569684 942191076 /nfs/dbraw/zinc/19/10/76/942191076.db2.gz DYMBBLPTZROCDS-MRVPVSSYSA-N -2 3 276.296 1.489 20 0 CDADHL Cc1ccc(-c2nc(NC(=O)[C@@H](C)C(=O)[O-])n[n-]2)o1 ZINC001611167158 970919868 /nfs/dbraw/zinc/91/98/68/970919868.db2.gz CALFDPKMMMTADL-ZCFIWIBFSA-N -2 3 264.241 1.032 20 0 CDADHL CC1(C)C(=O)CCC[C@@H]1Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233940637 943696946 /nfs/dbraw/zinc/69/69/46/943696946.db2.gz YGTJCKZNVSZNJP-VIFPVBQESA-N -2 3 276.296 1.173 20 0 CDADHL CCN(C(=O)c1cc(NC(C)=O)ccc1[O-])[C@@H](C)C(=O)[O-] ZINC001589706389 950294654 /nfs/dbraw/zinc/29/46/54/950294654.db2.gz SQQWAZPRUYZYCZ-QMMMGPOBSA-N -2 3 294.307 1.286 20 0 CDADHL O=C([O-])[C@@H]1CCN(Cc2c(F)ccc([O-])c2F)C1 ZINC001594933118 954829396 /nfs/dbraw/zinc/82/93/96/954829396.db2.gz BLIJVKDPTLMEGX-SSDOTTSWSA-N -2 3 257.236 1.577 20 0 CDADHL CO[C@](C)(C(=O)[O-])C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001593931128 956182043 /nfs/dbraw/zinc/18/20/43/956182043.db2.gz LDQKQLBFWWPAQJ-ZDUSSCGKSA-N -2 3 281.264 1.023 20 0 CDADHL Cc1cccc(C(=O)Nc2c[nH]nc2C(=O)[O-])c1[O-] ZINC001594388232 958693409 /nfs/dbraw/zinc/69/34/09/958693409.db2.gz SDFGEGVCJUUXNQ-UHFFFAOYSA-N -2 3 261.237 1.374 20 0 CDADHL O=C([O-])c1ccc2c(c1)CN(c1cc(=O)[n-]cn1)CC2 ZINC000163307947 959231642 /nfs/dbraw/zinc/23/16/42/959231642.db2.gz JXUBIJITQMQOQP-UHFFFAOYSA-N -2 3 271.276 1.031 20 0 CDADHL CC(C)(C)CC[C@H](NC(=O)c1cc(=O)[n-]cn1)C(=O)[O-] ZINC001588648377 959748554 /nfs/dbraw/zinc/74/85/54/959748554.db2.gz MTQYLUDRFXDTLX-QMMMGPOBSA-N -2 3 281.312 1.192 20 0 CDADHL CC(C)[C@H](C(=O)[O-])C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC001588809542 961515339 /nfs/dbraw/zinc/51/53/39/961515339.db2.gz QQTNHGBPTXOQDY-VIFPVBQESA-N -2 3 289.295 1.162 20 0 CDADHL CC(C)[C@@H](CO)O[N-]C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC001588833440 961734525 /nfs/dbraw/zinc/73/45/25/961734525.db2.gz MCNMJLGSFFVTSL-VLWUPBBWSA-N -2 3 283.280 1.056 20 0 CDADHL CC(C)[C@H](CNC(=O)c1ccc(O)cc1[O-])C(=O)[O-] ZINC000087478332 967578605 /nfs/dbraw/zinc/57/86/05/967578605.db2.gz FLFPYYRBZCOHTP-JTQLQIEISA-N -2 3 267.281 1.184 20 0 CDADHL O=C([O-])[C@@H]1CCCN(C(=O)c2c([O-])cccc2O)C1 ZINC000232428576 967741698 /nfs/dbraw/zinc/74/16/98/967741698.db2.gz CHRCXNPXULKPGA-MRVPVSSYSA-N -2 3 265.265 1.035 20 0 CDADHL C[C@@H]1CN(C(=O)c2c([O-])cccc2O)CC[C@@H]1C(=O)[O-] ZINC000379985203 968076495 /nfs/dbraw/zinc/07/64/95/968076495.db2.gz KOVRFRJBUCWTHZ-BDAKNGLRSA-N -2 3 279.292 1.281 20 0 CDADHL CC(C)(CCC(=O)[O-])NC(=O)c1cc(F)cc2n[n-]nc21 ZINC001603598357 973826994 /nfs/dbraw/zinc/82/69/94/973826994.db2.gz OVBBBFOWVXKYIW-UHFFFAOYSA-N -2 3 294.286 1.470 20 0 CDADHL CC[C@H](OC(=O)c1ccc(NC(=O)OC)c([O-])c1)C(=O)[O-] ZINC001595351238 980655664 /nfs/dbraw/zinc/65/56/64/980655664.db2.gz ALUCXVVDPGFTCD-JTQLQIEISA-N -2 3 297.263 1.591 20 0 CDADHL CC/C=C/C[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001595520046 981334528 /nfs/dbraw/zinc/33/45/28/981334528.db2.gz AATTUSKXDUNVOF-ONEGZZNKSA-N -2 3 259.283 1.222 20 0 CDADHL CC(=O)c1cccc(NC(=O)[C@@H](C)CC(=O)[O-])c1[O-] ZINC001589310106 986084780 /nfs/dbraw/zinc/08/47/80/986084780.db2.gz YPHFSQMQKWSKKL-ZETCQYMHSA-N -2 3 265.265 1.644 20 0 CDADHL CCc1ccc([O-])c(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)c1 ZINC001597555693 988281901 /nfs/dbraw/zinc/28/19/01/988281901.db2.gz BSRKBJXSAJQCJW-RNCFNFMXSA-N -2 3 293.319 1.269 20 0 CDADHL CN(C(=O)c1ccc(O)cc1[O-])C(C)(C)CC(=O)[O-] ZINC001598088026 990421643 /nfs/dbraw/zinc/42/16/43/990421643.db2.gz UHWYJDUPESBCQB-UHFFFAOYSA-N -2 3 267.281 1.423 20 0 CDADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)C1CC1 ZINC001605104109 1163452917 /nfs/dbraw/zinc/45/29/17/1163452917.db2.gz VUSBTOZNLVNTST-SNVBAGLBSA-N -2 3 287.337 1.753 20 0 CDADHL COC(=O)c1cnc(SCC2(C(=O)[O-])CCCC2)[n-]1 ZINC001598917657 997505530 /nfs/dbraw/zinc/50/55/30/997505530.db2.gz UDTOMZWXSYKEJI-UHFFFAOYSA-N -2 3 284.337 1.933 20 0 CDADHL COCCS(=O)(=O)[N-]c1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001599262611 998412045 /nfs/dbraw/zinc/41/20/45/998412045.db2.gz FSVVWJYVBUVFIO-UHFFFAOYSA-N -2 3 298.320 1.254 20 0 CDADHL COc1ccc(C(=O)N([C@H](C)C(=O)[O-])C2CCC2)c([O-])c1 ZINC001599479520 998585128 /nfs/dbraw/zinc/58/51/28/998585128.db2.gz ZSVHQDVLEXCNMF-SECBINFHSA-N -2 3 293.319 1.869 20 0 CDADHL C[C@@H]1CCCN1S(=O)(=O)[N-]c1cc(C(=O)[O-])cs1 ZINC001594387811 999467694 /nfs/dbraw/zinc/46/76/94/999467694.db2.gz NYQPPYHLXIFOCK-SSDOTTSWSA-N -2 3 290.366 1.587 20 0 CDADHL CCN(C)S(=O)(=O)[N-]c1cc(Cl)cc(C)c1[O-] ZINC000081198840 342214125 /nfs/dbraw/zinc/21/41/25/342214125.db2.gz BQXAYPOOFNPBLH-UHFFFAOYSA-N -2 3 278.761 1.962 20 0 CDADHL COCC1(S(=O)(=O)[N-]c2cc(F)ccc2[O-])CC1 ZINC000641684086 365723908 /nfs/dbraw/zinc/72/39/08/365723908.db2.gz ALYSZZNPXOSUSX-UHFFFAOYSA-N -2 3 275.301 1.452 20 0 CDADHL COc1ccc([O-])c(C(=O)N(C)[C@@H](C)CC(=O)[O-])c1 ZINC000572498387 362160575 /nfs/dbraw/zinc/16/05/75/362160575.db2.gz QRRVEBPDYUXJJF-QMMMGPOBSA-N -2 3 267.281 1.336 20 0 CDADHL CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000088298409 349263854 /nfs/dbraw/zinc/26/38/54/349263854.db2.gz ZEVFHHNYAUXVFN-JGVFFNPUSA-N -2 3 289.357 1.211 20 0 CDADHL O=C([O-])[C@H]1C=C[C@@H]([N-]S(=O)(=O)c2ccccc2F)C1 ZINC000092181368 180338319 /nfs/dbraw/zinc/33/83/19/180338319.db2.gz ABXXJAJRZXFFLF-DTWKUNHWSA-N -2 3 285.296 1.133 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-])o1 ZINC000263554146 359300576 /nfs/dbraw/zinc/30/05/76/359300576.db2.gz NBHUHXPFMQTZDI-SECBINFHSA-N -2 3 275.326 1.366 20 0 CDADHL COCc1cc(C(=O)[N-]c2n[n-]c(C(F)(F)F)n2)no1 ZINC000079700730 359279590 /nfs/dbraw/zinc/27/95/90/359279590.db2.gz CXROGZZPODUKFY-UHFFFAOYSA-N -2 3 291.189 1.210 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](C)C(=O)[O-])sc1Cl ZINC000231806935 360483280 /nfs/dbraw/zinc/48/32/80/360483280.db2.gz SVKORHCINUMMHC-ZCFIWIBFSA-N -2 3 297.785 1.709 20 0 CDADHL C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cccs1 ZINC000131849396 361159275 /nfs/dbraw/zinc/15/92/75/361159275.db2.gz ABNLTNHYEDDKRY-QMMMGPOBSA-N -2 3 277.367 1.670 20 0 CDADHL CCC[C@](C)(NC(=O)c1ccc(OC)cc1[O-])C(=O)[O-] ZINC000036337650 361683024 /nfs/dbraw/zinc/68/30/24/361683024.db2.gz SXXFMPYKAOGMQU-AWEZNQCLSA-N -2 3 281.308 1.774 20 0 CDADHL Cc1cc(=O)[n-]c([C@@H](C)N2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000566361955 370696871 /nfs/dbraw/zinc/69/68/71/370696871.db2.gz MIAKFGUSWYCMIW-NXEZZACHSA-N -2 3 265.313 1.348 20 0 CDADHL CC1(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000571676342 364743471 /nfs/dbraw/zinc/74/34/71/364743471.db2.gz SNGDVUJXPWRCNR-UHFFFAOYSA-N -2 3 273.310 1.446 20 0 CDADHL COc1ccc([O-])c(C(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000263109306 370507843 /nfs/dbraw/zinc/50/78/43/370507843.db2.gz BPEHUHCPEMJMHI-UWVGGRQHSA-N -2 3 293.319 1.584 20 0 CDADHL COCCS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000042808674 374873274 /nfs/dbraw/zinc/87/32/74/374873274.db2.gz KBTHAFLRIAONHA-UHFFFAOYSA-N -2 3 293.728 1.426 20 0 CDADHL CS(=O)(=O)[N-]c1cc(F)cc(C(=O)[O-])c1F ZINC000309538750 375699175 /nfs/dbraw/zinc/69/91/75/375699175.db2.gz DJSHSXXUZLIJFW-UHFFFAOYSA-N -2 3 251.210 1.035 20 0 CDADHL CO[C@@H](CS(=O)(=O)[N-]c1ccccc1[O-])C(C)C ZINC000647122569 390475913 /nfs/dbraw/zinc/47/59/13/390475913.db2.gz MDQCVJGZORVVLN-LBPRGKRZSA-N -2 3 273.354 1.805 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)c(F)c1 ZINC000261616854 131157032 /nfs/dbraw/zinc/15/70/32/131157032.db2.gz BBOFDMXFAXIADE-NSHDSACASA-N -2 3 289.328 1.522 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]CCC(=O)[O-])c(F)cc1F ZINC000261674438 131160983 /nfs/dbraw/zinc/16/09/83/131160983.db2.gz KUYJXTSZFTZHEY-UHFFFAOYSA-N -2 3 279.264 1.026 20 0 CDADHL CC(C)(C)c1n[n-]c(=NC(=O)c2cc(=O)cc(O)[n-]2)s1 ZINC000646723027 392685670 /nfs/dbraw/zinc/68/56/70/392685670.db2.gz SUWFXADEDSDFQG-UHFFFAOYSA-N -2 3 294.336 1.316 20 0 CDADHL O=C([O-])C1CCC([N-]C(=O)C(F)(F)C(F)F)CC1 ZINC000219876936 140166607 /nfs/dbraw/zinc/16/66/07/140166607.db2.gz YIHPHQWMWGNTDC-UHFFFAOYSA-N -2 3 271.210 1.646 20 0 CDADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@]12C[C@H]1CCC2 ZINC000656717249 413594768 /nfs/dbraw/zinc/59/47/68/413594768.db2.gz LXSHBMRQNKNGMS-LHLIQPBNSA-N -2 3 288.350 1.062 20 0 CDADHL CC1(C)C[C@]1(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000663446500 414258032 /nfs/dbraw/zinc/25/80/32/414258032.db2.gz NEFHSYPHHMOZIF-NSHDSACASA-N -2 3 289.378 1.913 20 0 CDADHL CCc1ccc([O-])c(C(=O)N(CC)[C@H](C)C(=O)[O-])c1 ZINC000663124598 424657555 /nfs/dbraw/zinc/65/75/55/424657555.db2.gz LTCBXZITLSHHRC-SECBINFHSA-N -2 3 265.309 1.890 20 0 CDADHL CC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)CC1 ZINC000232971507 280122496 /nfs/dbraw/zinc/12/24/96/280122496.db2.gz JOGSYSKHFHHCSU-UHFFFAOYSA-N -2 3 275.351 1.525 20 0 CDADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2ccoc2)o1 ZINC000556775336 290296394 /nfs/dbraw/zinc/29/63/94/290296394.db2.gz ZXZGFHGVEYPPCL-UHFFFAOYSA-N -2 3 271.250 1.049 20 0 CDADHL CSC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000563620080 316344703 /nfs/dbraw/zinc/34/47/03/316344703.db2.gz IDTRKDSEMLKQRF-ZCFIWIBFSA-N -2 3 279.339 1.008 20 0 CDADHL CCOC(=O)c1cc(NC(=O)c2cc(F)ccc2[O-])n[n-]1 ZINC000180931191 323223632 /nfs/dbraw/zinc/22/36/32/323223632.db2.gz MQRRCUDHKCFFMZ-UHFFFAOYSA-N -2 3 293.254 1.683 20 0 CDADHL CCOC(=O)c1cc(NC(=O)c2cc(F)ccc2[O-])[n-]n1 ZINC000180931191 323223635 /nfs/dbraw/zinc/22/36/35/323223635.db2.gz MQRRCUDHKCFFMZ-UHFFFAOYSA-N -2 3 293.254 1.683 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CC23CCCCC3)c1 ZINC000584229609 327069929 /nfs/dbraw/zinc/06/99/29/327069929.db2.gz FCPWMNGPJYWJOB-SNVBAGLBSA-N -2 3 299.348 1.979 20 0 CDADHL CC(C)(C[N-]S(=O)(=O)c1cccs1)CC(=O)[O-] ZINC000681576347 482913785 /nfs/dbraw/zinc/91/37/85/482913785.db2.gz DNJPDZVQZUQTIT-UHFFFAOYSA-N -2 3 277.367 1.527 20 0 CDADHL O=C([O-])[C@H]1CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000095142374 1174496169 /nfs/dbraw/zinc/49/61/69/1174496169.db2.gz IZVBPHHJSMDUCF-ZETCQYMHSA-N -2 3 293.714 1.431 20 0 CDADHL O=C([O-])[C@H]1CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000095142374 1174496173 /nfs/dbraw/zinc/49/61/73/1174496173.db2.gz IZVBPHHJSMDUCF-ZETCQYMHSA-N -2 3 293.714 1.431 20 0 CDADHL O=C([O-])Cc1nc([N-]C(=O)c2csc(C3CC3)n2)n[nH]1 ZINC000739899359 574508035 /nfs/dbraw/zinc/50/80/35/574508035.db2.gz LHOOZTPREBXZPY-UHFFFAOYSA-N -2 3 293.308 1.018 20 0 CDADHL CSc1nc([N-]C(=O)c2scnc2Cl)n[n-]1 ZINC000727486419 574586198 /nfs/dbraw/zinc/58/61/98/574586198.db2.gz KQPMLRYRWJEJFK-UHFFFAOYSA-N -2 3 275.746 1.889 20 0 CDADHL O=C([O-])c1cccc(NC(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC001601563791 1174900408 /nfs/dbraw/zinc/90/04/08/1174900408.db2.gz RAKISNILBQLVCY-LLVKDONJSA-N -2 3 280.280 1.965 20 0 CDADHL O=C([O-])c1cc(C(=O)[N-]c2cc(C(F)(F)F)no2)no1 ZINC001601587637 1174908100 /nfs/dbraw/zinc/90/81/00/1174908100.db2.gz DXCJHZCPYSXUAK-UHFFFAOYSA-N -2 3 291.141 1.632 20 0 CDADHL CCc1ccc([O-])c(C(=O)Nc2cnn(CC(=O)[O-])c2)c1 ZINC000737268159 575930615 /nfs/dbraw/zinc/93/06/15/575930615.db2.gz UONWJHBFOSKVRG-UHFFFAOYSA-N -2 3 289.291 1.488 20 0 CDADHL O=C(CCc1ccc(C(=O)[O-])cc1)[N-]C1=NCCS1 ZINC000739255803 576193654 /nfs/dbraw/zinc/19/36/54/576193654.db2.gz COAFRJHBYQCQCG-UHFFFAOYSA-N -2 3 278.333 1.536 20 0 CDADHL O=C([O-])[C@H]1C[C@H]1C(=O)Nc1n[n-]c(-c2cccs2)n1 ZINC000739552628 576252633 /nfs/dbraw/zinc/25/26/33/576252633.db2.gz JHGTWNAYOHFINT-RITPCOANSA-N -2 3 278.293 1.192 20 0 CDADHL O=C([O-])[C@H](OC(=O)c1cncc([O-])c1)c1ccccc1 ZINC000740300938 576459118 /nfs/dbraw/zinc/45/91/18/576459118.db2.gz YDVPTPCXFZEOKF-GFCCVEGCSA-N -2 3 273.244 1.770 20 0 CDADHL O=C([N-]Cc1n[nH]c(=O)[n-]1)C(F)(F)c1ccc(F)cc1 ZINC000748418425 576911857 /nfs/dbraw/zinc/91/18/57/576911857.db2.gz LPTDUSHBGQIAEC-UHFFFAOYSA-N -2 3 286.213 1.058 20 0 CDADHL O=C([O-])[C@@H]1CCCN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000019257437 600013716 /nfs/dbraw/zinc/01/37/16/600013716.db2.gz ARTUQQPLQJLUQW-MRVPVSSYSA-N -2 3 265.265 1.035 20 0 CDADHL CC[C@@](C)([N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000094220956 600443370 /nfs/dbraw/zinc/44/33/70/600443370.db2.gz NRNMCUNEQURVFV-SNVBAGLBSA-N -2 3 292.744 1.267 20 0 CDADHL C[C@@]1(NC(=O)c2ccc(O)cc2[O-])CCCC[C@H]1C(=O)[O-] ZINC000833567068 604963848 /nfs/dbraw/zinc/96/38/48/604963848.db2.gz FWPWEVVAMMADAP-XHDPSFHLSA-N -2 3 293.319 1.861 20 0 CDADHL O=C([O-])[C@H]1CCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000909425316 619248910 /nfs/dbraw/zinc/24/89/10/619248910.db2.gz XBJFBAQZUJOSRA-VIFPVBQESA-N -2 3 267.256 1.007 20 0 CDADHL CC[C@H](CNC(=O)c1cc(SC)ccc1[O-])C(=O)[O-] ZINC000902844311 625502105 /nfs/dbraw/zinc/50/21/05/625502105.db2.gz IGTLDCSUUGNYAO-MRVPVSSYSA-N -2 3 283.349 1.955 20 0 CDADHL C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000909798643 628667210 /nfs/dbraw/zinc/66/72/10/628667210.db2.gz JDAYXGQGIISLHU-PSASIEDQSA-N -2 3 281.283 1.395 20 0 CDADHL C[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)C[C@H](C(=O)[O-])O1 ZINC000909894909 628748196 /nfs/dbraw/zinc/74/81/96/628748196.db2.gz HZCXCVMQHSJODU-RDDDGLTNSA-N -2 3 299.710 1.360 20 0 CDADHL O=C([O-])C12CCC(C(=O)[N-]OC[C@@H]3CCOC3)(CC1)CC2 ZINC000911804179 629534092 /nfs/dbraw/zinc/53/40/92/629534092.db2.gz YJNRTOBZVWBLTM-VCANKDNSSA-N -2 3 297.351 1.496 20 0 CDADHL O=C([O-])C12CC(C(=O)[N-]OCc3ccc(F)cc3)(C1)C2 ZINC000911804342 629534112 /nfs/dbraw/zinc/53/41/12/629534112.db2.gz CNJMNKBJESVPSD-UHFFFAOYSA-N -2 3 279.267 1.628 20 0 CDADHL CC(C)c1ccc(C(=O)N(C)c2nnn[n-]2)c([O-])c1 ZINC000912618678 630089168 /nfs/dbraw/zinc/08/91/68/630089168.db2.gz YZWCXHOTYWLTEV-UHFFFAOYSA-N -2 3 261.285 1.305 20 0 CDADHL CCc1ccc(C(=O)N[C@H]2CCC[C@@H]2C(=O)[O-])c([O-])c1 ZINC001605805254 1163676898 /nfs/dbraw/zinc/67/68/98/1163676898.db2.gz XPCHZIXTBOSSLV-JQWIXIFHSA-N -2 3 277.320 1.938 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@H](C)C2(C)CC2)oc1C(=O)[O-] ZINC001607705373 1164276624 /nfs/dbraw/zinc/27/66/24/1164276624.db2.gz LTNFFKKGQJMXPA-MRVPVSSYSA-N -2 3 287.337 1.753 20 0 CDADHL O=C(CCc1ocnc1C(=O)[O-])[N-]OC1CCCC1 ZINC001608321678 1164489962 /nfs/dbraw/zinc/48/99/62/1164489962.db2.gz GNWJRUQWUSFBRZ-UHFFFAOYSA-N -2 3 268.269 1.296 20 0 CDADHL O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)c2cc(=O)[n-]cn2)cc1 ZINC001608512140 1164529888 /nfs/dbraw/zinc/52/98/88/1164529888.db2.gz FLNDOOYBMDYULB-WDEREUQCSA-N -2 3 299.286 1.623 20 0 CDADHL CC(=Cc1cncnc1)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001609060423 1164754265 /nfs/dbraw/zinc/75/42/65/1164754265.db2.gz LKFKMXXXCDQYIJ-CLTKARDFSA-N -2 3 296.294 1.021 20 0 CDADHL CC(=Cc1cncnc1)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001609060423 1164754270 /nfs/dbraw/zinc/75/42/70/1164754270.db2.gz LKFKMXXXCDQYIJ-CLTKARDFSA-N -2 3 296.294 1.021 20 0 CDADHL N[C@@H](CC(=O)[O-])c1nc(-c2ccc([O-])cc2F)no1 ZINC001610647157 1165395071 /nfs/dbraw/zinc/39/50/71/1165395071.db2.gz MBJBTRPEGOMMGY-QMMMGPOBSA-N -2 3 267.216 1.056 20 0 CDADHL O=C([O-])CC1(COC(=O)c2cncc([O-])c2)CC1 ZINC001610755342 1165430700 /nfs/dbraw/zinc/43/07/00/1165430700.db2.gz KXJWTGCVVPOLSU-UHFFFAOYSA-N -2 3 251.238 1.199 20 0 CDADHL O=C([O-])CC[C@H](NCc1ncc(Cl)s1)C(=O)[O-] ZINC001650015487 1169610597 /nfs/dbraw/zinc/61/05/97/1169610597.db2.gz MEDLNMGUNQIVFY-YFKPBYRVSA-N -2 3 278.717 1.204 20 0 CDADHL O=C([O-])C[C@H](NC(=O)c1c[n-]ncc1=O)c1ccccc1 ZINC001574371444 1170961514 /nfs/dbraw/zinc/96/15/14/1170961514.db2.gz SJBXWUHXNISOLQ-NSHDSACASA-N -2 3 287.275 1.128 20 0 CDADHL C[C@@]1(C(=O)[O-])CCC[C@@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC001590071829 1173247343 /nfs/dbraw/zinc/24/73/43/1173247343.db2.gz YTALUQBORRJJAJ-TVQRCGJNSA-N -2 3 288.311 1.317 20 0 CDADHL O=C([O-])c1ccc(CC(=O)[N-]OCCC2CC2)cn1 ZINC001601357611 1174843083 /nfs/dbraw/zinc/84/30/83/1174843083.db2.gz CTAQDUVPPDKQJE-UHFFFAOYSA-N -2 3 264.281 1.170 20 0 CDADHL O=C([O-])c1ccc(NC(=O)[N-]OCC(F)F)s1 ZINC001601563234 1174899667 /nfs/dbraw/zinc/89/96/67/1174899667.db2.gz JTZQVPDQAXMAJD-UHFFFAOYSA-N -2 3 266.225 1.765 20 0 CDADHL O=C([O-])c1cncnc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001602543100 1175283377 /nfs/dbraw/zinc/28/33/77/1175283377.db2.gz CALRCEPGAIRVOU-UHFFFAOYSA-N -2 3 287.279 1.160 20 0 CDADHL O=C([O-])[C@@H](C[N-]C(=O)C(F)(F)F)C1CCCCC1 ZINC001608532671 1164535250 /nfs/dbraw/zinc/53/52/50/1164535250.db2.gz GOZFTTKSCNAHNQ-QMMMGPOBSA-N -2 3 267.247 1.946 20 0 CDADHL CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(CC)cc1[O-] ZINC001610030830 1165191231 /nfs/dbraw/zinc/19/12/31/1165191231.db2.gz NGYSXIIIYUXXBH-LBPRGKRZSA-N -2 3 295.335 1.516 20 0 CDADHL CC(C)(CC(=O)[O-])CC(=O)NNC(=O)c1ccc([O-])cc1 ZINC000054500403 824561556 /nfs/dbraw/zinc/56/15/56/824561556.db2.gz HRTJEMAANHLFEO-UHFFFAOYSA-N -2 3 294.307 1.044 20 0 CDADHL C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000130999826 825218847 /nfs/dbraw/zinc/21/88/47/825218847.db2.gz HELVXIGJQXVESR-SFYZADRCSA-N -2 3 273.310 1.445 20 0 CDADHL CSCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694157763 898104018 /nfs/dbraw/zinc/10/40/18/898104018.db2.gz AEKGRRIHZFLBJW-ZETCQYMHSA-N -2 3 293.366 1.398 20 0 CDADHL O=C([O-])C(F)(F)C(F)(F)C(=O)[N-][C@@H]1CC12CCOCC2 ZINC001180176875 916173202 /nfs/dbraw/zinc/17/32/02/916173202.db2.gz QDYDYEROORPPNI-ZCFIWIBFSA-N -2 3 299.220 1.027 20 0 CDADHL Cn1ccc2c1nccc2NCCOP(=O)([O-])[O-] ZINC001168596647 919378054 /nfs/dbraw/zinc/37/80/54/919378054.db2.gz WQYLVQPHHRUPDN-UHFFFAOYSA-N -2 3 271.213 1.095 20 0 CDADHL Cc1nc(Nc2cnc(F)c(C(=O)[O-])c2)cc(=O)[n-]1 ZINC001215101487 940857095 /nfs/dbraw/zinc/85/70/95/940857095.db2.gz FKWBABQSUIVDOG-UHFFFAOYSA-N -2 3 264.216 1.467 20 0 CDADHL COc1ccc2c(c1)CC[C@H](OCCP(=O)([O-])[O-])C2 ZINC001224600855 941774258 /nfs/dbraw/zinc/77/42/58/941774258.db2.gz AMLLZWKUZKRWCW-ZDUSSCGKSA-N -2 3 286.264 1.747 20 0 CDADHL C[C@@H]1CCC[C@@H](Oc2[n-]c(=O)nc3cn[n-]c32)[C@@H]1C ZINC001233939042 943694833 /nfs/dbraw/zinc/69/48/33/943694833.db2.gz GNNXRJQZTXFVJI-NQMVMOMDSA-N -2 3 262.313 1.850 20 0 CDADHL Cc1cnc(F)c([C@@H](C)Oc2[n-]c(=O)nc3cn[n-]c32)c1 ZINC001233942791 943696787 /nfs/dbraw/zinc/69/67/87/943696787.db2.gz DPNOEVVGKSJISM-SSDOTTSWSA-N -2 3 289.270 1.629 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cncc([O-])c2)cc1 ZINC001260221908 945809642 /nfs/dbraw/zinc/80/96/42/945809642.db2.gz ZSAZIHJEMYYBET-UHFFFAOYSA-N -3 3 294.288 1.286 20 0 CDADHL CC/C=C/[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001260219596 945810650 /nfs/dbraw/zinc/81/06/50/945810650.db2.gz VJHUYJZGXDJXOK-ZZXKWVIFSA-N -2 3 273.285 1.726 20 0 CDADHL O=S(=O)([N-][C@H]1[CH]CC=C1)c1ccc(F)cc1F ZINC001256118578 948211333 /nfs/dbraw/zinc/21/13/33/948211333.db2.gz OOTVCRDPNAXHMQ-SECBINFHSA-N -2 3 258.269 1.776 20 0 CDADHL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC001589269491 953403069 /nfs/dbraw/zinc/40/30/69/953403069.db2.gz YNNRHOOKMMSRJW-GXSJLCMTSA-N -2 3 295.310 1.643 20 0 CDADHL CC(C)C[C@@H](OC(=O)c1cncc([O-])c1)C(=O)[O-] ZINC001603017902 972072667 /nfs/dbraw/zinc/07/26/67/972072667.db2.gz FUYVJPQTEOJROK-SNVBAGLBSA-N -2 3 253.254 1.443 20 0 CDADHL CC(C)CCCC[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000134291635 958834926 /nfs/dbraw/zinc/83/49/26/958834926.db2.gz RXXRVFPKJCKZOT-UHFFFAOYSA-N -2 3 289.357 1.213 20 0 CDADHL Cc1nc(N2CCC[C@H](CCC(=O)[O-])C2)cc(=O)[n-]1 ZINC000163119199 959227955 /nfs/dbraw/zinc/22/79/55/959227955.db2.gz GYKHHKBWBBDLNT-SNVBAGLBSA-N -2 3 265.313 1.572 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)o1 ZINC001571069412 960872065 /nfs/dbraw/zinc/87/20/65/960872065.db2.gz FFUQRMQCVDBKPL-YTWAJWBKSA-N -2 3 299.348 1.366 20 0 CDADHL Cc1cc(=O)[n-]c(CN[C@](C)(C(=O)[O-])c2ccccc2)n1 ZINC001574343452 960954915 /nfs/dbraw/zinc/95/49/15/960954915.db2.gz WXNAJSLBZHVZND-HNNXBMFYSA-N -2 3 287.319 1.580 20 0 CDADHL O=C([O-])[C@@H]1CC[C@H](NC(=O)c2cc3c(cc2[O-])OCO3)C1 ZINC001574592280 962132273 /nfs/dbraw/zinc/13/22/73/962132273.db2.gz OCIPUNBRJWKZRI-SFYZADRCSA-N -2 3 293.275 1.104 20 0 CDADHL O=C([O-])[C@@H](CC(F)(F)F)NC(=O)c1ccccc1[O-] ZINC000311588045 963493457 /nfs/dbraw/zinc/49/34/57/963493457.db2.gz FRSRTIKXETWRGN-SSDOTTSWSA-N -2 3 277.198 1.528 20 0 CDADHL O=P([O-])([O-])CCCCNC(=S)NCc1ccco1 ZINC001200572069 968498094 /nfs/dbraw/zinc/49/80/94/968498094.db2.gz VWEYGBBBRCIQIH-UHFFFAOYSA-N -2 3 292.297 1.202 20 0 CDADHL C[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C1CC1 ZINC000694190465 976678028 /nfs/dbraw/zinc/67/80/28/976678028.db2.gz XAQORTWMIKBMOZ-ZETCQYMHSA-N -2 3 273.310 1.302 20 0 CDADHL C[C@H](Cc1ccc(N=c2ncnc3[nH][n-]cc2-3)cc1)C(=O)[O-] ZINC001592883989 979764934 /nfs/dbraw/zinc/76/49/34/979764934.db2.gz WYUKEJNUKVYECD-SECBINFHSA-N -2 3 297.318 1.733 20 0 CDADHL CC(C)(C)C[C@@H](OC(=O)c1cncc([O-])c1)C(=O)[O-] ZINC001589761968 988095368 /nfs/dbraw/zinc/09/53/68/988095368.db2.gz SVMOYKNNPLEJME-SNVBAGLBSA-N -2 3 267.281 1.833 20 0 CDADHL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)C(F)F ZINC001597781001 989281821 /nfs/dbraw/zinc/28/18/21/989281821.db2.gz SBKRRSSYAYIMTI-YFKPBYRVSA-N -2 3 297.279 1.472 20 0 CDADHL CC[C@@](C)(NCc1nnc(-c2ccccc2[O-])o1)C(=O)[O-] ZINC001604915733 1163379902 /nfs/dbraw/zinc/37/99/02/1163379902.db2.gz ZNFVTSIQHVBFIO-CQSZACIVSA-N -2 3 291.307 1.785 20 0 CDADHL CC(C)CO[N-]C(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001591397099 992466232 /nfs/dbraw/zinc/46/62/32/992466232.db2.gz MJMCMBBVIRGWRT-UHFFFAOYSA-N -2 3 252.270 1.026 20 0 CDADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)C(F)F ZINC001605103348 1163452537 /nfs/dbraw/zinc/45/25/37/1163452537.db2.gz CAXDRWUAXFYURU-RXMQYKEDSA-N -2 3 299.320 1.768 20 0 CDADHL CC[C@@H](OC(=O)c1n[n-]c2c1cccc2OC)C(=O)[O-] ZINC001605121406 1163459856 /nfs/dbraw/zinc/45/98/56/1163459856.db2.gz ZJQZXJWMVMITQP-MRVPVSSYSA-N -2 3 278.264 1.592 20 0 CDADHL CCC[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)C(=O)[O-] ZINC001605361534 1163533337 /nfs/dbraw/zinc/53/33/37/1163533337.db2.gz LDXXVUZYHBZOGO-QMMMGPOBSA-N -2 3 280.259 1.080 20 0 CDADHL Cc1c(C=Cc2nccc(=O)[n-]2)c(C(=O)[O-])nn1C ZINC001600009768 1174338892 /nfs/dbraw/zinc/33/88/92/1174338892.db2.gz RDJNFJZKIWLEEX-ARJAWSKDSA-N -2 3 260.253 1.093 20 0 CDADHL CC(C)Cc1nc(=NC(=O)c2cn[n-]c2)s[n-]1 ZINC000618347182 342485966 /nfs/dbraw/zinc/48/59/66/342485966.db2.gz VQZMOVQLCSTKFM-UHFFFAOYSA-N -2 3 251.315 1.134 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])c(F)c1F ZINC000629291230 361815602 /nfs/dbraw/zinc/81/56/02/361815602.db2.gz BKTWYYIEQYUIOD-LURJTMIESA-N -2 3 279.264 1.025 20 0 CDADHL O=c1[n-]c(-c2cccc(OCCO)n2)nc2ccc([O-])cc12 ZINC000436752023 539045153 /nfs/dbraw/zinc/04/51/53/539045153.db2.gz WLOGIQWSNFPRDW-UHFFFAOYSA-N -2 3 299.286 1.474 20 0 CDADHL O=S(=O)([N-]c1cccc([O-])c1F)c1cncc(F)c1 ZINC000535054256 282232994 /nfs/dbraw/zinc/23/29/94/282232994.db2.gz XEVCZANNXRWKCS-UHFFFAOYSA-N -2 3 286.259 1.866 20 0 CDADHL C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000127102858 187282703 /nfs/dbraw/zinc/28/27/03/187282703.db2.gz SPWYTMOHCQUBOU-LURJTMIESA-N -2 3 295.719 1.621 20 0 CDADHL CCc1onc(C)c1[N-]C(=O)c1cnc(C(=O)[O-])cn1 ZINC000571560510 362681136 /nfs/dbraw/zinc/68/11/36/362681136.db2.gz FQCIPKDXZRWFHT-UHFFFAOYSA-N -2 3 276.252 1.286 20 0 CDADHL CC(C)CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000584717351 346413083 /nfs/dbraw/zinc/41/30/83/346413083.db2.gz QZIHJNWFNVCTKC-UHFFFAOYSA-N -2 3 275.326 1.692 20 0 CDADHL C[C@@H]1CCN(C(=O)c2cc(=O)n(C)[n-]2)c2c([O-])cccc21 ZINC000613575888 347787742 /nfs/dbraw/zinc/78/77/42/347787742.db2.gz FXRBKSTXVXHTFN-SECBINFHSA-N -2 3 287.319 1.985 20 0 CDADHL COCCS(=O)(=O)[N-]c1c(C)ccc(F)c1C(=O)[O-] ZINC000275138582 365936206 /nfs/dbraw/zinc/93/62/06/365936206.db2.gz WLNVGGLOJCEPGH-UHFFFAOYSA-N -2 3 291.300 1.220 20 0 CDADHL CC(C)C[C@@H](NC(=O)c1ccc2n[n-]nc2c1)C(=O)[O-] ZINC000036971303 356295707 /nfs/dbraw/zinc/29/57/07/356295707.db2.gz RPPDOMCCEQNBCY-LLVKDONJSA-N -2 3 276.296 1.187 20 0 CDADHL O=c1c2c([n-]n1-c1cn[n-]c(=O)c1Cl)CCSC2 ZINC000634587815 356468700 /nfs/dbraw/zinc/46/87/00/356468700.db2.gz ZVZOIFXOBMVGIU-YFKPBYRVSA-N -2 3 284.728 1.291 20 0 CDADHL COc1ccc([N-]S(=O)(=O)C[C@@H]2CCCO2)c([O-])c1 ZINC000223883620 538808010 /nfs/dbraw/zinc/80/80/10/538808010.db2.gz LACNNMLBASOCMS-JTQLQIEISA-N -2 3 287.337 1.322 20 0 CDADHL CCOc1cc(C(=O)[N-]c2n[n-]c(C(F)(F)F)n2)on1 ZINC000294508760 199066447 /nfs/dbraw/zinc/06/64/47/199066447.db2.gz KVPQIKRIHCORSD-UHFFFAOYSA-N -2 3 291.189 1.463 20 0 CDADHL Cc1ccc(-c2cc(NC(=O)c3n[nH]c(=O)[n-]3)n[n-]2)o1 ZINC000566542147 370758798 /nfs/dbraw/zinc/75/87/98/370758798.db2.gz DBPBKABSHXCDSU-UHFFFAOYSA-N -2 3 274.240 1.054 20 0 CDADHL COc1ccc(=NCc2c(F)ccc([O-])c2F)[n-]n1 ZINC000357700646 367153851 /nfs/dbraw/zinc/15/38/51/367153851.db2.gz FRPBTPKZYIPSFA-UHFFFAOYSA-N -2 3 267.235 1.503 20 0 CDADHL C[C@@H](CCC1CC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000575178174 371768691 /nfs/dbraw/zinc/76/86/91/371768691.db2.gz NHANFANOBYOYJQ-QMMMGPOBSA-N -2 3 287.337 1.835 20 0 CDADHL CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000042556749 374336260 /nfs/dbraw/zinc/33/62/60/374336260.db2.gz JSPALWKBXBKKHY-YUMQZZPRSA-N -2 3 275.326 1.691 20 0 CDADHL CO[C@@H](C)CS(=O)(=O)[N-]c1c([O-])cccc1Cl ZINC000647918890 391305755 /nfs/dbraw/zinc/30/57/55/391305755.db2.gz AQVWQAVKKZGRBQ-ZETCQYMHSA-N -2 3 279.745 1.822 20 0 CDADHL CC(C)c1ccc(C(=O)N=c2ccc([O-])n[n-]2)cc1 ZINC000361967924 391705105 /nfs/dbraw/zinc/70/51/05/391705105.db2.gz OSACYJXBACNHFC-UHFFFAOYSA-N -2 3 257.293 1.980 20 0 CDADHL CC[C@H](C(=O)[O-])N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000191407228 130233375 /nfs/dbraw/zinc/23/33/75/130233375.db2.gz XJGRCLSPYFUNLV-CYBMUJFWSA-N -2 3 292.335 1.013 20 0 CDADHL Cc1csc(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)c1 ZINC000646053895 391948124 /nfs/dbraw/zinc/94/81/24/391948124.db2.gz DYKJOPRMFUVGIH-OCAPTIKFSA-N -2 3 275.351 1.198 20 0 CDADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)C(C)C ZINC000645958382 393434120 /nfs/dbraw/zinc/43/41/20/393434120.db2.gz SZUBIUKKOGPVIZ-SNVBAGLBSA-N -2 3 289.353 1.999 20 0 CDADHL O=C([O-])C[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000362002368 159035953 /nfs/dbraw/zinc/03/59/53/159035953.db2.gz RBBWHMYGADSFNI-UHFFFAOYSA-N -2 3 298.345 1.173 20 0 CDADHL Cc1nc(=NC(=O)c2cc(-c3ccco3)n[n-]2)s[n-]1 ZINC000362141392 159082351 /nfs/dbraw/zinc/08/23/51/159082351.db2.gz XBZRHSGJPBEOFH-UHFFFAOYSA-N -2 3 275.293 1.504 20 0 CDADHL Cc1nc(=NC(=O)c2cc(-c3ccco3)[n-]n2)s[n-]1 ZINC000362141392 159082354 /nfs/dbraw/zinc/08/23/54/159082354.db2.gz XBZRHSGJPBEOFH-UHFFFAOYSA-N -2 3 275.293 1.504 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]C2CC(C)C2)oc1C(=O)[O-] ZINC000663422331 412178972 /nfs/dbraw/zinc/17/89/72/412178972.db2.gz JRXHKXPDDHZIIQ-UHFFFAOYSA-N -2 3 273.310 1.363 20 0 CDADHL CC[C@H](C)CC[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000656716447 413595315 /nfs/dbraw/zinc/59/53/15/413595315.db2.gz FAXHNZXPTTWMCI-ZETCQYMHSA-N -2 3 292.382 1.556 20 0 CDADHL CC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000044616669 175218245 /nfs/dbraw/zinc/21/82/45/175218245.db2.gz BRYYUGIWOHAJNE-LBPRGKRZSA-N -2 3 288.303 1.463 20 0 CDADHL O=C([O-])CC[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000071494073 176191204 /nfs/dbraw/zinc/19/12/04/176191204.db2.gz WESFAOBXSKBDDZ-UHFFFAOYSA-N -2 3 299.135 1.141 20 0 CDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccccc1F)C1CCC1 ZINC000399172605 323882834 /nfs/dbraw/zinc/88/28/34/323882834.db2.gz OWMFKVZTSGDVCV-LLVKDONJSA-N -2 3 287.312 1.357 20 0 CDADHL Cc1cccc(C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1[O-] ZINC000579712191 324261978 /nfs/dbraw/zinc/26/19/78/324261978.db2.gz JXWYXCYJFUFZAU-CABZTGNLSA-N -2 3 277.320 1.883 20 0 CDADHL CC(C)=CC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000580644655 324521247 /nfs/dbraw/zinc/52/12/47/324521247.db2.gz LWRBOPJSGFEXSU-UHFFFAOYSA-N -2 3 259.283 1.222 20 0 CDADHL CCC[C@H](CC)S(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-] ZINC000582967248 325079851 /nfs/dbraw/zinc/07/98/51/325079851.db2.gz CVURBPOJWYUAJO-QMMMGPOBSA-N -2 3 289.357 1.439 20 0 CDADHL O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccc([O-])c(F)c1 ZINC000681021632 482661096 /nfs/dbraw/zinc/66/10/96/482661096.db2.gz QLZSRZWCDGUWSO-UHFFFAOYSA-N -2 3 299.265 1.964 20 0 CDADHL O=C(Nc1nc(-c2ccccn2)n[n-]1)c1ccc([O-])c(F)c1 ZINC000681021632 482661103 /nfs/dbraw/zinc/66/11/03/482661103.db2.gz QLZSRZWCDGUWSO-UHFFFAOYSA-N -2 3 299.265 1.964 20 0 CDADHL COc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@]2(C)C(=O)[O-])c1 ZINC000164604048 483319470 /nfs/dbraw/zinc/31/94/70/483319470.db2.gz SVXNEHSDYYJYBF-DOMZBBRYSA-N -2 3 293.319 1.774 20 0 CDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)C1CC1 ZINC000054505064 526314293 /nfs/dbraw/zinc/31/42/93/526314293.db2.gz GEFMTAHRIMYQIM-SNVBAGLBSA-N -2 3 291.275 1.106 20 0 CDADHL O=C(Nc1c([O-])cccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000738139819 576042355 /nfs/dbraw/zinc/04/23/55/576042355.db2.gz QGZYVWJHQFVZHE-UHFFFAOYSA-N -2 3 299.265 1.964 20 0 CDADHL O=C(Nc1c([O-])cccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000738139819 576042357 /nfs/dbraw/zinc/04/23/57/576042357.db2.gz QGZYVWJHQFVZHE-UHFFFAOYSA-N -2 3 299.265 1.964 20 0 CDADHL [O-]c1ccc(CNc2cccc(-c3nnn[n-]3)n2)cc1F ZINC000738401539 576068815 /nfs/dbraw/zinc/06/88/15/576068815.db2.gz ULNFKEJVHZYUNB-UHFFFAOYSA-N -2 3 286.270 1.719 20 0 CDADHL Cc1ccc(NC(=O)[C@@H](NC(=O)[O-])C(C)C)c([O-])c1 ZINC000738617376 576096258 /nfs/dbraw/zinc/09/62/58/576096258.db2.gz UHNHUZMZBPTTKT-NSHDSACASA-N -2 3 266.297 1.931 20 0 CDADHL O=C([O-])C[C@H]1CCCN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000054293316 597668893 /nfs/dbraw/zinc/66/88/93/597668893.db2.gz YIFWZSYWFJZWIR-SECBINFHSA-N -2 3 279.292 1.425 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2F)o1 ZINC000020593350 599765616 /nfs/dbraw/zinc/76/56/16/599765616.db2.gz FIMIMVKPUNUXTF-UHFFFAOYSA-N -2 3 299.279 1.595 20 0 CDADHL O=C([N-]OC1CCCC1)c1cnc(C2CC2)[n-]c1=O ZINC000901328343 624133726 /nfs/dbraw/zinc/13/37/26/624133726.db2.gz DMUQZEPIQFHXCP-UHFFFAOYSA-N -2 3 263.297 1.664 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@H]1CCCC2(CC2)C1 ZINC000903545826 626017258 /nfs/dbraw/zinc/01/72/58/626017258.db2.gz BUFAZGJBQVYXBW-VIFPVBQESA-N -2 3 299.348 1.979 20 0 CDADHL C/C(=C\COC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC001602979715 1175470115 /nfs/dbraw/zinc/47/01/15/1175470115.db2.gz XJGJGZXRKURDLB-XBXARRHUSA-N -2 3 268.240 1.648 20 0 CDADHL CCC[C@H](CC)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001605212362 1163487934 /nfs/dbraw/zinc/48/79/34/1163487934.db2.gz XGRCIUXEZYCPKV-QMMMGPOBSA-N -2 3 275.326 1.835 20 0 CDADHL CCOCCC1(C(=O)[N-]OCCCC(=O)[O-])CCCC1 ZINC001605628636 1163629583 /nfs/dbraw/zinc/62/95/83/1163629583.db2.gz FQRJAHHIABNTFS-UHFFFAOYSA-N -2 3 287.356 1.886 20 0 CDADHL Cc1nc(NC[C@@H](C)CC(=O)[O-])ccc1-c1nn[n-]n1 ZINC001606068422 1163762899 /nfs/dbraw/zinc/76/28/99/1163762899.db2.gz WYZSCQCPCSLMNL-ZETCQYMHSA-N -2 3 276.300 1.093 20 0 CDADHL O=C([O-])CCc1nnc([N-]C(=O)c2ccc(F)cn2)s1 ZINC001608742055 1164625548 /nfs/dbraw/zinc/62/55/48/1164625548.db2.gz DPGKJRCSPDTZFV-UHFFFAOYSA-N -2 3 296.283 1.342 20 0 CDADHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]C/C=C/Cl)c1 ZINC001608895756 1164678510 /nfs/dbraw/zinc/67/85/10/1164678510.db2.gz BGQKYBOAZIJBSN-DAFODLJHSA-N -2 3 293.703 1.555 20 0 CDADHL COC(=O)c1cnc(SC/C=C(\C)C(=O)[O-])[n-]1 ZINC001610195149 1165249945 /nfs/dbraw/zinc/24/99/45/1165249945.db2.gz CLCHGGPKDKBBHP-ZZXKWVIFSA-N -2 3 256.283 1.319 20 0 CDADHL O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cccc(F)c1[O-] ZINC001631712557 1166297407 /nfs/dbraw/zinc/29/74/07/1166297407.db2.gz DIAMULPRYDOSOU-UHFFFAOYSA-N -2 3 299.265 1.964 20 0 CDADHL Cc1ccc(NCCCCC(=O)[O-])nc1-c1nnn[n-]1 ZINC001592185707 1173830259 /nfs/dbraw/zinc/83/02/59/1173830259.db2.gz JXHOMKDQOMMYRK-UHFFFAOYSA-N -2 3 276.300 1.237 20 0 CDADHL CC1(C(=O)[O-])CCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000095231854 1174516785 /nfs/dbraw/zinc/51/67/85/1174516785.db2.gz BVZRACGFKKQARZ-UHFFFAOYSA-N -2 3 287.323 1.558 20 0 CDADHL Cc1nc(C(C)C)oc1C(=O)[N-]c1n[nH]c(CC(=O)[O-])n1 ZINC001600689903 1174565365 /nfs/dbraw/zinc/56/53/65/1174565365.db2.gz VVTJWJVPEKQURO-UHFFFAOYSA-N -2 3 293.283 1.104 20 0 CDADHL CC[C@@H](C)CONC(=O)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001604004225 1175717542 /nfs/dbraw/zinc/71/75/42/1175717542.db2.gz OKBWUVVXEDHRSB-MRVPVSSYSA-N -2 3 291.311 1.280 20 0 CDADHL C[C@H](CC(=O)[O-])CC(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC001604113396 1175768812 /nfs/dbraw/zinc/76/88/12/1175768812.db2.gz VHNWVTRRTBBWIS-MRVPVSSYSA-N -2 3 294.307 1.604 20 0 CDADHL CC(C)c1nc(CN[C@@H](CCC(=O)[O-])C(=O)[O-])cs1 ZINC001771909531 1186946949 /nfs/dbraw/zinc/94/69/49/1186946949.db2.gz KJDLJMSNADODKS-VIFPVBQESA-N -2 3 286.353 1.674 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]CCc2ccco2)cc1C(=O)[O-] ZINC001608056893 1164395485 /nfs/dbraw/zinc/39/54/85/1164395485.db2.gz SJEUQSVKEQYIJR-UHFFFAOYSA-N -2 3 299.304 1.400 20 0 CDADHL O=C([O-])CCc1csc(NC(=O)[N-]OCC(F)F)n1 ZINC001608741257 1164624517 /nfs/dbraw/zinc/62/45/17/1164624517.db2.gz LCIBFCARZZGIPW-UHFFFAOYSA-N -2 3 295.267 1.479 20 0 CDADHL O=C([N-]N1Cc2ccccc2C1=O)c1ncccc1[O-] ZINC000121491351 832176351 /nfs/dbraw/zinc/17/63/51/832176351.db2.gz SNPBKZDXWVHAQQ-UHFFFAOYSA-N -2 3 269.260 1.088 20 0 CDADHL CC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccco1 ZINC000829834732 833404478 /nfs/dbraw/zinc/40/44/78/833404478.db2.gz QZMBHKSKFRXGTM-SNVBAGLBSA-N -2 3 261.299 1.201 20 0 CDADHL CSC[C@H](C)C(=O)NCCCCP(=O)([O-])[O-] ZINC001183216905 918361746 /nfs/dbraw/zinc/36/17/46/918361746.db2.gz MCEMPUNYOFOFKK-QMMMGPOBSA-N -2 3 269.303 1.060 20 0 CDADHL O=P([O-])([O-])CCO[C@@H](c1cccnc1)C(F)(F)F ZINC001224606134 941775418 /nfs/dbraw/zinc/77/54/18/941775418.db2.gz MIPDCEMSBBNXFB-QMMMGPOBSA-N -2 3 285.158 1.879 20 0 CDADHL C[C@@H](CC(=O)OC(C)(C)C)OCCP(=O)([O-])[O-] ZINC001224608008 941775826 /nfs/dbraw/zinc/77/58/26/941775826.db2.gz XRKNYMKUOXCVQK-QMMMGPOBSA-N -2 3 268.246 1.301 20 0 CDADHL CCOC(=O)[C@H]1C[C@@H](OCCCCP(=O)([O-])[O-])C1 ZINC001225018582 941814812 /nfs/dbraw/zinc/81/48/12/941814812.db2.gz BGCXJFRAZSULSX-AOOOYVTPSA-N -2 3 280.257 1.303 20 0 CDADHL O=c1nc2cn[n-]c2c(O[C@@H]2CCc3cc(F)ccc32)[n-]1 ZINC001233939747 943696970 /nfs/dbraw/zinc/69/69/70/943696970.db2.gz NVRQLOUHCCWKFU-LLVKDONJSA-N -2 3 286.266 1.852 20 0 CDADHL O=C([O-])Cc1cccc(NC([O-])=NO[C@@H]2CCCCO2)c1 ZINC001611506530 971087046 /nfs/dbraw/zinc/08/70/46/971087046.db2.gz KDHNQNLZMKRDHJ-CYBMUJFWSA-N -2 3 294.307 1.893 20 0 CDADHL O=C([O-])Cc1cccc(NC(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC001611506530 971087056 /nfs/dbraw/zinc/08/70/56/971087056.db2.gz KDHNQNLZMKRDHJ-CYBMUJFWSA-N -2 3 294.307 1.893 20 0 CDADHL O=S(=O)([N-]c1ccc(F)c([O-])c1)c1cccnc1 ZINC001259606753 945602014 /nfs/dbraw/zinc/60/20/14/945602014.db2.gz KODAUZZHZJUGJQ-UHFFFAOYSA-N -2 3 268.269 1.727 20 0 CDADHL O=C([O-])c1ccc(-c2ccc(-c3nnn[n-]3)c(F)c2)cn1 ZINC001242337354 946681970 /nfs/dbraw/zinc/68/19/70/946681970.db2.gz ALDQUBJXIQGMSZ-UHFFFAOYSA-N -2 3 285.238 1.766 20 0 CDADHL O=C([O-])c1ccc(-c2ccc(-c3nn[n-]n3)c(F)c2)cn1 ZINC001242337354 946681976 /nfs/dbraw/zinc/68/19/76/946681976.db2.gz ALDQUBJXIQGMSZ-UHFFFAOYSA-N -2 3 285.238 1.766 20 0 CDADHL O=c1cc(-c2cccs2)[n-]n1-c1cc(=O)[n-]cn1 ZINC001245920230 947846837 /nfs/dbraw/zinc/84/68/37/947846837.db2.gz BUMUNCAUUTVRMR-UHFFFAOYSA-N -2 3 260.278 1.802 20 0 CDADHL CCC(CC)(CNC(=O)c1c([O-])cccc1O)C(=O)[O-] ZINC000232429964 949770884 /nfs/dbraw/zinc/77/08/84/949770884.db2.gz DGUHNFHWUUZYDO-UHFFFAOYSA-N -2 3 281.308 1.719 20 0 CDADHL O=C([O-])CC[C@@H](NCc1c(F)cccc1F)C(=O)[O-] ZINC001595063433 951523818 /nfs/dbraw/zinc/52/38/18/951523818.db2.gz YQLMKPDSPVMANW-SNVBAGLBSA-N -2 3 273.235 1.372 20 0 CDADHL COC(=O)c1ccc(-c2nc([C@@H](C)C(=O)[O-])no2)[n-]1 ZINC001593875736 955666562 /nfs/dbraw/zinc/66/65/62/955666562.db2.gz FSIHJFAXJQFFGZ-RXMQYKEDSA-N -2 3 265.225 1.039 20 0 CDADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccncc2F)c1 ZINC000232109598 960242797 /nfs/dbraw/zinc/24/27/97/960242797.db2.gz OEMSXQAZGHNHJZ-UHFFFAOYSA-N -2 3 296.279 1.720 20 0 CDADHL CC(C)(C)CCS(=O)(=O)[N-]c1cnn(CC(=O)[O-])c1 ZINC000232512791 960278906 /nfs/dbraw/zinc/27/89/06/960278906.db2.gz XLFGDUHPBAMAII-UHFFFAOYSA-N -2 3 289.357 1.146 20 0 CDADHL COc1cc(S(=O)(=O)[N-]c2cncc([O-])c2)ccc1F ZINC001200375036 968058776 /nfs/dbraw/zinc/05/87/76/968058776.db2.gz HAXPTBUJFVVHEU-UHFFFAOYSA-N -2 3 298.295 1.736 20 0 CDADHL CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1cccnc1F ZINC000401853646 973453853 /nfs/dbraw/zinc/45/38/53/973453853.db2.gz XRZSOZMNYCLDQQ-UHFFFAOYSA-N -2 3 290.316 1.142 20 0 CDADHL N[C@@H](CC(=O)[O-])c1noc(-c2cc(Cl)ccc2[O-])n1 ZINC001605649075 974019087 /nfs/dbraw/zinc/01/90/87/974019087.db2.gz OAHQNBIIYWWEON-ZETCQYMHSA-N -2 3 283.671 1.570 20 0 CDADHL CC(C)OC(=O)c1cc(NC(=O)[C@H](C)CC(=O)[O-])[n-]n1 ZINC001591685625 975482772 /nfs/dbraw/zinc/48/27/72/975482772.db2.gz KIRSNGBEJPWOKD-SSDOTTSWSA-N -2 3 283.284 1.024 20 0 CDADHL CC(C)OC(=O)c1cc(NC(=O)[C@H](C)CC(=O)[O-])n[n-]1 ZINC001591685625 975482777 /nfs/dbraw/zinc/48/27/77/975482777.db2.gz KIRSNGBEJPWOKD-SSDOTTSWSA-N -2 3 283.284 1.024 20 0 CDADHL O=C([O-])[C@]12CCC[C@H]1N(C(=O)c1ccccc1[O-])CC2 ZINC000711602574 977555080 /nfs/dbraw/zinc/55/50/80/977555080.db2.gz YKRNTWIOYSLSNM-DOMZBBRYSA-N -2 3 275.304 1.862 20 0 CDADHL CC(F)(F)C[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC001592943664 980016002 /nfs/dbraw/zinc/01/60/02/980016002.db2.gz MIJHEEMVTHXPHP-UHFFFAOYSA-N -2 3 297.254 1.457 20 0 CDADHL CC[C@@H](C(=O)[O-])C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001594757569 981679160 /nfs/dbraw/zinc/67/91/60/981679160.db2.gz GVGJMJHHHODNIV-SSDOTTSWSA-N -2 3 297.311 1.414 20 0 CDADHL CC[C@@H](C(=O)[O-])C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001594757569 981679163 /nfs/dbraw/zinc/67/91/63/981679163.db2.gz GVGJMJHHHODNIV-SSDOTTSWSA-N -2 3 297.311 1.414 20 0 CDADHL CCc1ccc([O-])c(C(=O)N2CC[C@](OC)(C(=O)[O-])C2)c1 ZINC001597556310 988288577 /nfs/dbraw/zinc/28/85/77/988288577.db2.gz LFBBMCDPTWEUMS-OAHLLOKOSA-N -2 3 293.319 1.270 20 0 CDADHL CSc1ccc([O-])c(C(=O)N[C@H]2CC[C@H]2C(=O)[O-])c1 ZINC001599820388 988503226 /nfs/dbraw/zinc/50/32/26/988503226.db2.gz XDSIGGVWOKQKMR-SCZZXKLOSA-N -2 3 281.333 1.707 20 0 CDADHL CC1(C)CC[C@@H]1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001593885338 996722202 /nfs/dbraw/zinc/72/22/02/996722202.db2.gz KAYHHXINQBJSBG-ZETCQYMHSA-N -2 3 290.366 1.308 20 0 CDADHL CC1(C)CC[C@H]1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001593885337 996722263 /nfs/dbraw/zinc/72/22/63/996722263.db2.gz KAYHHXINQBJSBG-SSDOTTSWSA-N -2 3 290.366 1.308 20 0 CDADHL CC(C)CCC[C@@H](NC(=O)c1c[n-]ncc1=O)C(=O)[O-] ZINC001573505479 1170677762 /nfs/dbraw/zinc/67/77/62/1170677762.db2.gz JBNKORUQMDBBON-SNVBAGLBSA-N -2 3 281.312 1.192 20 0 CDADHL Cc1ccc(C2(C(=O)N=c3ccc([O-])n[n-]3)CCC2)cc1 ZINC000644964578 361985395 /nfs/dbraw/zinc/98/53/95/361985395.db2.gz YWJHOQLYJJMLKW-UHFFFAOYSA-N -2 3 283.331 1.973 20 0 CDADHL COc1ccc(C(=O)N[C@H](CC2CC2)C(=O)[O-])c([O-])c1 ZINC000383590206 345665495 /nfs/dbraw/zinc/66/54/95/345665495.db2.gz KSHUXAGOCULVET-LLVKDONJSA-N -2 3 279.292 1.384 20 0 CDADHL Cc1nnc(-n2[n-]c3c(c2=O)CCCCC3)[n-]c1=O ZINC000614184723 348027926 /nfs/dbraw/zinc/02/79/26/348027926.db2.gz GJBLYPAREAVQQO-MRVPVSSYSA-N -2 3 261.285 1.169 20 0 CDADHL O=C([O-])[C@@H]1C=C[C@H]([N-]S(=O)(=O)c2cccs2)C1 ZINC000092182136 180339095 /nfs/dbraw/zinc/33/90/95/180339095.db2.gz ITIZDNJCHUOXDK-SFYZADRCSA-N -2 3 273.335 1.056 20 0 CDADHL C[C@@H]1CCc2[n-]n(-c3cn[n-]c(=O)c3Cl)c(=O)c2C1 ZINC000634587776 356468268 /nfs/dbraw/zinc/46/82/68/356468268.db2.gz ZBFWUGRHHYLOJN-RNFRBKRXSA-N -2 3 280.715 1.974 20 0 CDADHL CCC[C@H](CNC(=O)c1cc(OC)ccc1[O-])C(=O)[O-] ZINC000087486987 357296140 /nfs/dbraw/zinc/29/61/40/357296140.db2.gz HLJVPUHUGJHCMO-SECBINFHSA-N -2 3 281.308 1.632 20 0 CDADHL COc1cccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1[O-] ZINC000019422541 358059635 /nfs/dbraw/zinc/05/96/35/358059635.db2.gz BLRCSYVYXNNQOY-JTQLQIEISA-N -2 3 279.292 1.480 20 0 CDADHL CC(C)(C)CC[C@@H]([N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000277365331 366424938 /nfs/dbraw/zinc/42/49/38/366424938.db2.gz YYETWGCBIVYFBV-SECBINFHSA-N -2 3 289.353 1.837 20 0 CDADHL CCCN(CC(=O)[O-])C(=O)c1c[n-]c2ccccc2c1=O ZINC000038020262 359476976 /nfs/dbraw/zinc/47/69/76/359476976.db2.gz RHOZMWIEJZVUFX-UHFFFAOYSA-N -2 3 288.303 1.465 20 0 CDADHL Cc1ncc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)(C)C)s1 ZINC000230095105 360240847 /nfs/dbraw/zinc/24/08/47/360240847.db2.gz PJDDUJHLWOSTRP-QMMMGPOBSA-N -2 3 292.382 1.229 20 0 CDADHL Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000436795860 361575829 /nfs/dbraw/zinc/57/58/29/361575829.db2.gz GNJYDDPOSPZRSA-UHFFFAOYSA-N -2 3 297.217 1.432 20 0 CDADHL O=C([O-])C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000336737839 368336779 /nfs/dbraw/zinc/33/67/79/368336779.db2.gz JUGFDHNLMICLTN-UHFFFAOYSA-N -2 3 284.120 1.356 20 0 CDADHL Cc1cccc(C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)c1[O-] ZINC000263362818 370541094 /nfs/dbraw/zinc/54/10/94/370541094.db2.gz SJCXTYPMKWYGGP-KOLCDFICSA-N -2 3 277.320 1.883 20 0 CDADHL O=C([O-])[C@@H]1CCCN1C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000263575480 370553361 /nfs/dbraw/zinc/55/33/61/370553361.db2.gz PCFAYRQJNICOMW-ZDUSSCGKSA-N -2 3 289.331 1.960 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CC[C@H](C)[C@@H](C(=O)[O-])C2)n1 ZINC000567856067 371173444 /nfs/dbraw/zinc/17/34/44/371173444.db2.gz BFGKKZTXPQWBNF-ONGXEEELSA-N -2 3 279.340 1.287 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]3C[C@H]3C2)o1 ZINC000397862743 373453242 /nfs/dbraw/zinc/45/32/42/373453242.db2.gz YKDCBVNRCVAXCZ-RNLVFQAGSA-N -2 3 271.294 1.055 20 0 CDADHL COc1ccc([O-])c(C(=O)N2CCCCC[C@H]2C(=O)[O-])c1 ZINC000080987940 374488563 /nfs/dbraw/zinc/48/85/63/374488563.db2.gz JRVANYMXFSGRFM-LBPRGKRZSA-N -2 3 293.319 1.870 20 0 CDADHL Cc1nc([N-]C(=O)c2c(F)ccc([O-])c2F)nn1C ZINC000344532730 376474004 /nfs/dbraw/zinc/47/40/04/376474004.db2.gz GIIFGHSGLVLBEZ-UHFFFAOYSA-N -2 3 268.223 1.360 20 0 CDADHL CO[C@@H](C)CS(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1 ZINC000278687375 194103547 /nfs/dbraw/zinc/10/35/47/194103547.db2.gz QYXNHRWUGIYZOB-VIFPVBQESA-N -2 3 287.337 1.090 20 0 CDADHL Cc1csc(S(=O)(=O)[N-][C@@](C)(C(=O)[O-])C2CC2)c1 ZINC000519775277 391708257 /nfs/dbraw/zinc/70/82/57/391708257.db2.gz ZRMISLVCEWZRHE-LLVKDONJSA-N -2 3 289.378 1.588 20 0 CDADHL O=C([O-])[C@@]1([N-]C(=O)C(F)(F)c2ccccc2)CCOC1 ZINC000262122462 131192885 /nfs/dbraw/zinc/19/28/85/131192885.db2.gz IYOVSGGGXRKVJW-GFCCVEGCSA-N -2 3 285.246 1.138 20 0 CDADHL CCC1([N-]S(=O)(=O)c2csnc2C(=O)[O-])CCC1 ZINC000574036184 392497159 /nfs/dbraw/zinc/49/71/59/392497159.db2.gz KRGCAXXJQRCQMW-UHFFFAOYSA-N -2 3 290.366 1.452 20 0 CDADHL CCC[C@](C)([N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000036339914 398000380 /nfs/dbraw/zinc/00/03/80/398000380.db2.gz ZGWQQNOCTMCGFS-JTQLQIEISA-N -2 3 277.367 1.670 20 0 CDADHL Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)o1 ZINC000037025635 398055241 /nfs/dbraw/zinc/05/52/41/398055241.db2.gz DPXQRSCRSPKFSG-MRVPVSSYSA-N -2 3 299.304 1.919 20 0 CDADHL C[C@H]1[C@H](C(=O)N=c2ccc([O-])n[n-]2)CCN1c1ccccc1 ZINC000355877723 157273798 /nfs/dbraw/zinc/27/37/98/157273798.db2.gz GHRPLEMZPYJBCP-WCQYABFASA-N -2 3 298.346 1.458 20 0 CDADHL Cc1nc(=NC(=O)c2cc(-c3cccs3)[n-]n2)s[n-]1 ZINC000362133494 159080219 /nfs/dbraw/zinc/08/02/19/159080219.db2.gz KPKWZNZCPDMBIX-UHFFFAOYSA-N -2 3 291.361 1.972 20 0 CDADHL Cc1nc(=NC(=O)c2cc(-c3cccs3)n[n-]2)s[n-]1 ZINC000362133494 159080222 /nfs/dbraw/zinc/08/02/22/159080222.db2.gz KPKWZNZCPDMBIX-UHFFFAOYSA-N -2 3 291.361 1.972 20 0 CDADHL Cc1cc([N-]S(=O)(=O)C[C@@H]2CCCO2)cc(C(=O)[O-])c1 ZINC000284954683 196164049 /nfs/dbraw/zinc/16/40/49/196164049.db2.gz CXJQOSHDEZJLQP-LBPRGKRZSA-N -2 3 299.348 1.614 20 0 CDADHL O=C([O-])C[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC000038026222 174011498 /nfs/dbraw/zinc/01/14/98/174011498.db2.gz CMIWOWDYVGVBPQ-JTQLQIEISA-N -2 3 263.293 1.862 20 0 CDADHL Cc1ccc([O-])c(C(=O)N[C@]2(C(=O)[O-])CCSC2)c1 ZINC000043503722 175059489 /nfs/dbraw/zinc/05/94/89/175059489.db2.gz OXBNKWKJEFNVAS-CYBMUJFWSA-N -2 3 281.333 1.391 20 0 CDADHL O=C([O-])CC[C@H]1CCCN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000043583240 175070453 /nfs/dbraw/zinc/07/04/53/175070453.db2.gz VYTRFPLENLGPRO-SNVBAGLBSA-N -2 3 293.319 1.815 20 0 CDADHL CCCC[C@@H]([N-]S(=O)(=O)c1cncc(F)c1)C(=O)[O-] ZINC000044260650 175156990 /nfs/dbraw/zinc/15/69/90/175156990.db2.gz ZQBSWDOFEJHNFA-SNVBAGLBSA-N -2 3 290.316 1.142 20 0 CDADHL CC[C@@H](NC(=O)c1ccc2c(c1[O-])CCCC2)C(=O)[O-] ZINC000562621316 293159386 /nfs/dbraw/zinc/15/93/86/293159386.db2.gz AQAAVLGKNANNCB-GFCCVEGCSA-N -2 3 277.320 1.864 20 0 CDADHL CC(C)OCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000160006521 482355939 /nfs/dbraw/zinc/35/59/39/482355939.db2.gz NUZCTTZMKNKNLG-UHFFFAOYSA-N -2 3 293.366 1.150 20 0 CDADHL Cc1cccc(C(=O)NC2(CC(=O)[O-])CCOCC2)c1[O-] ZINC000677794467 482780367 /nfs/dbraw/zinc/78/03/67/482780367.db2.gz WKYSINJSXISBKS-UHFFFAOYSA-N -2 3 293.319 1.454 20 0 CDADHL COc1ccc(C(=O)NC[C@@H](C(=O)[O-])C(C)C)c([O-])c1 ZINC000087480029 482860289 /nfs/dbraw/zinc/86/02/89/482860289.db2.gz MUNCMSRDTPSZPD-LLVKDONJSA-N -2 3 281.308 1.487 20 0 CDADHL CCc1cc(=O)[n-]c(CN(C2CC2)C2(C(=O)[O-])CCC2)n1 ZINC000659792382 482913632 /nfs/dbraw/zinc/91/36/32/482913632.db2.gz AZFDRNXNCFULRE-UHFFFAOYSA-N -2 3 291.351 1.716 20 0 CDADHL CCCN(CC(=O)[O-])[C@@H](C)C(=O)[N-]c1cc(C)no1 ZINC000184932295 521561970 /nfs/dbraw/zinc/56/19/70/521561970.db2.gz DMJFDTUHYXAWFV-VIFPVBQESA-N -2 3 269.301 1.107 20 0 CDADHL CO[C@@H](C)c1nc(=NCc2cnc(C)[n-]c2=O)s[n-]1 ZINC000337867497 523460206 /nfs/dbraw/zinc/46/02/06/523460206.db2.gz LPPOGVWGTQFHPU-LURJTMIESA-N -2 3 281.341 1.084 20 0 CDADHL C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000054333864 524491836 /nfs/dbraw/zinc/49/18/36/524491836.db2.gz KEWPZULMIFVRAX-RXMQYKEDSA-N -2 3 283.758 1.401 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@H](C)c2ncc[nH]2)oc1C(=O)[O-] ZINC001600300480 1174441139 /nfs/dbraw/zinc/44/11/39/1174441139.db2.gz SINWLBLYJCDROO-SSDOTTSWSA-N -2 3 299.308 1.049 20 0 CDADHL O=C([O-])CSc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000095141664 1174495969 /nfs/dbraw/zinc/49/59/69/1174495969.db2.gz YBJBHCXUTASAJM-UHFFFAOYSA-N -2 3 270.701 1.697 20 0 CDADHL O=C([O-])CSc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000095141664 1174495971 /nfs/dbraw/zinc/49/59/71/1174495971.db2.gz YBJBHCXUTASAJM-UHFFFAOYSA-N -2 3 270.701 1.697 20 0 CDADHL C[C@@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)[O-] ZINC000736716330 575727391 /nfs/dbraw/zinc/72/73/91/575727391.db2.gz KSBOWJHOMFUKLT-ZCFIWIBFSA-N -2 3 250.283 1.432 20 0 CDADHL Cn1[n-]c(COC(=O)c2cc(Cl)c(Cl)[n-]2)nc1=O ZINC000765430518 576021472 /nfs/dbraw/zinc/02/14/72/576021472.db2.gz GOBADLHHYOTSPQ-UHFFFAOYSA-N -2 3 291.094 1.100 20 0 CDADHL O=C([O-])Cc1nc([N-]C(=O)c2ccc(Cl)s2)n[nH]1 ZINC000739911291 576397098 /nfs/dbraw/zinc/39/70/98/576397098.db2.gz ZJKIKWCBXRRXQN-UHFFFAOYSA-N -2 3 286.700 1.399 20 0 CDADHL O=C([O-])c1ccoc1COC(=O)c1cncc([O-])c1 ZINC000740295579 576458898 /nfs/dbraw/zinc/45/88/98/576458898.db2.gz CPWRGFMMBAPMAQ-UHFFFAOYSA-N -2 3 263.205 1.435 20 0 CDADHL C[C@@H](CC(=O)[O-])C(=O)NCc1ccc([O-])c(F)c1 ZINC000827296670 602298678 /nfs/dbraw/zinc/29/86/78/602298678.db2.gz VTWAJYIBORLJDJ-ZETCQYMHSA-N -2 3 255.245 1.258 20 0 CDADHL O=C([N-]Cc1cc(-c2nn[n-]n2)ccc1F)C(F)(F)F ZINC000823235502 599167367 /nfs/dbraw/zinc/16/73/67/599167367.db2.gz VUVGPUJJLXYBFO-UHFFFAOYSA-N -2 3 289.192 1.184 20 0 CDADHL O=C([O-])[C@@H](NC(=O)c1ccccc1[O-])c1ccccn1 ZINC000833126678 600976156 /nfs/dbraw/zinc/97/61/56/600976156.db2.gz OPLZMBDYINBXBI-LBPRGKRZSA-N -2 3 272.260 1.343 20 0 CDADHL O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccncc2[O-])C1 ZINC000833188589 601210987 /nfs/dbraw/zinc/21/09/87/601210987.db2.gz ZPBRLTYHNQURTA-DTWKUNHWSA-N -2 3 264.281 1.039 20 0 CDADHL Cc1cc(=O)[n-]c(CN2Cc3ccccc3C[C@@H]2C(=O)[O-])n1 ZINC000832898764 602310954 /nfs/dbraw/zinc/31/09/54/602310954.db2.gz BVMJVDXDTCOXGS-CYBMUJFWSA-N -2 3 299.330 1.502 20 0 CDADHL O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000910443477 629069439 /nfs/dbraw/zinc/06/94/39/629069439.db2.gz UOKJYCSOXKMTEG-WPRPVWTQSA-N -2 3 285.246 1.097 20 0 CDADHL C[C@@H](CC(=O)[O-])CC(=O)Nc1cccc([O-])c1F ZINC000911431175 629281011 /nfs/dbraw/zinc/28/10/11/629281011.db2.gz LSRJCTSILQGUQZ-SSDOTTSWSA-N -2 3 255.245 1.971 20 0 CDADHL O=C([O-])c1ccc(-c2nnn[n-]2)c(C=Cc2cccnc2)n1 ZINC001606962298 1164039008 /nfs/dbraw/zinc/03/90/08/1164039008.db2.gz OIJLKCNDMDYJKD-HWKANZROSA-N -2 3 294.274 1.525 20 0 CDADHL O=C([O-])c1ccc(-c2nn[n-]n2)c(C=Cc2cccnc2)n1 ZINC001606962298 1164039016 /nfs/dbraw/zinc/03/90/16/1164039016.db2.gz OIJLKCNDMDYJKD-HWKANZROSA-N -2 3 294.274 1.525 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])c(F)c1F ZINC001607819649 1164305883 /nfs/dbraw/zinc/30/58/83/1164305883.db2.gz VCMRLGPLQJZBRO-UHFFFAOYSA-N -2 3 293.291 1.415 20 0 CDADHL O=C([O-])Cc1ccc(CNC(=O)c2ccccc2[O-])cc1 ZINC001608776596 1164634546 /nfs/dbraw/zinc/63/45/46/1164634546.db2.gz UAGVYOOFRZFZDT-UHFFFAOYSA-N -2 3 285.299 1.949 20 0 CDADHL Cc1ncsc1C(=O)[N-]c1nc(C(=O)[O-])ns1 ZINC001610564641 1165356364 /nfs/dbraw/zinc/35/63/64/1165356364.db2.gz OGOPGEHUIOJNLV-UHFFFAOYSA-N -2 3 270.295 1.254 20 0 CDADHL O=C([O-])CCCNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC000095150349 1166595708 /nfs/dbraw/zinc/59/57/08/1166595708.db2.gz ARISHLAVJBOHAA-UHFFFAOYSA-N -2 3 288.311 1.027 20 0 CDADHL O=C([O-])CCCNc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC000095150349 1166595714 /nfs/dbraw/zinc/59/57/14/1166595714.db2.gz ARISHLAVJBOHAA-UHFFFAOYSA-N -2 3 288.311 1.027 20 0 CDADHL O=C([O-])N1CC[C@H](NCc2ccc([O-])c(F)c2F)C1 ZINC001574376298 1170962109 /nfs/dbraw/zinc/96/21/09/1170962109.db2.gz BNSMBTPGFAHWOU-QMMMGPOBSA-N -2 3 272.251 1.512 20 0 CDADHL Cc1cc(C)c(-c2nnn[n-]2)c(N(C)C[C@H](C)C(=O)[O-])n1 ZINC000095331353 1174525418 /nfs/dbraw/zinc/52/54/18/1174525418.db2.gz GKDOITGVXOWAEN-QMMMGPOBSA-N -2 3 290.327 1.035 20 0 CDADHL Cc1cc(C)c(-c2nn[n-]n2)c(N(C)C[C@H](C)C(=O)[O-])n1 ZINC000095331353 1174525422 /nfs/dbraw/zinc/52/54/22/1174525422.db2.gz GKDOITGVXOWAEN-QMMMGPOBSA-N -2 3 290.327 1.035 20 0 CDADHL O=C([O-])c1ccc(CN[C@H](CC(F)F)C(=O)[O-])c(F)c1 ZINC001602347334 1175219066 /nfs/dbraw/zinc/21/90/66/1175219066.db2.gz TXUTUSLXGXUQCX-SECBINFHSA-N -2 3 291.225 1.722 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CCc1ccco1 ZINC001602488968 1175261484 /nfs/dbraw/zinc/26/14/84/1175261484.db2.gz ZLVQMXOZZHCBBG-UHFFFAOYSA-N -2 3 285.277 1.092 20 0 CDADHL C[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)C(=O)[O-] ZINC001603563251 1175566369 /nfs/dbraw/zinc/56/63/69/1175566369.db2.gz RLCTUDPFXKQPDE-YFKPBYRVSA-N -2 3 282.691 1.048 20 0 CDADHL C[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)C(=O)[O-] ZINC001603563251 1175566378 /nfs/dbraw/zinc/56/63/78/1175566378.db2.gz RLCTUDPFXKQPDE-YFKPBYRVSA-N -2 3 282.691 1.048 20 0 CDADHL O=C([O-])COC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC001608756020 1164630196 /nfs/dbraw/zinc/63/01/96/1164630196.db2.gz AVCPXWJYLJBDSA-UHFFFAOYSA-N -2 3 270.191 1.742 20 0 CDADHL CCc1ccc(C(=O)N[C@](CC)(COC)C(=O)[O-])c([O-])c1 ZINC001610060309 1165199525 /nfs/dbraw/zinc/19/95/25/1165199525.db2.gz NNZVZUMMGDRQRY-OAHLLOKOSA-N -2 3 295.335 1.564 20 0 CDADHL Cc1cc(=O)[n-]c([C@H](C)N2CCC(CC(=O)[O-])CC2)n1 ZINC001610475533 1165325852 /nfs/dbraw/zinc/32/58/52/1165325852.db2.gz AOHNMIJRKOUAAF-JTQLQIEISA-N -2 3 279.340 1.738 20 0 CDADHL Cc1n[nH]cc1[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001610549441 1165351296 /nfs/dbraw/zinc/35/12/96/1165351296.db2.gz NSBMKIGTTSTFCH-UHFFFAOYSA-N -2 3 295.320 1.358 20 0 CDADHL Cc1nc(C(C)C)[n-]c(=O)c1C(=O)[N-]OC(C)C ZINC000379012851 836986545 /nfs/dbraw/zinc/98/65/45/836986545.db2.gz OOVYVAPNOGRBID-UHFFFAOYSA-N -2 3 253.302 1.684 20 0 CDADHL CCS(=O)(CC)=NC(=O)c1ccc([O-])cc1[O-] ZINC000310420802 839865217 /nfs/dbraw/zinc/86/52/17/839865217.db2.gz QNCBFJRODXUXGX-UHFFFAOYSA-N -2 3 257.311 1.746 20 0 CDADHL Cc1ccc([N-]S(=O)(=O)N=S(C)(C)=O)c([O-])c1 ZINC000821128077 841056658 /nfs/dbraw/zinc/05/66/58/841056658.db2.gz QKPDIGQRSDNVNS-UHFFFAOYSA-N -2 3 278.355 1.085 20 0 CDADHL C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cccnc1Cl ZINC000070311890 842029314 /nfs/dbraw/zinc/02/93/14/842029314.db2.gz QYRBERGBQPKDPV-ZETCQYMHSA-N -2 3 292.744 1.267 20 0 CDADHL CCN(C(=O)c1nnc2ccccc2c1[O-])[C@H](C)C(=O)[O-] ZINC000851696830 842634638 /nfs/dbraw/zinc/63/46/38/842634638.db2.gz XNWUXVLZMWNUBB-MRVPVSSYSA-N -2 3 289.291 1.271 20 0 CDADHL Cc1ncc(Nc2ccc(C(=O)[O-])s2)c(=O)[n-]1 ZINC001174808862 913359298 /nfs/dbraw/zinc/35/92/98/913359298.db2.gz XYUICBKMUNAIFA-UHFFFAOYSA-N -2 3 251.267 1.994 20 0 CDADHL Cc1ccc(OC[C@H](C)OCCP(=O)([O-])[O-])cc1 ZINC001224602227 909916504 /nfs/dbraw/zinc/91/65/04/909916504.db2.gz PCRUXZUGHZZGJR-NSHDSACASA-N -2 3 274.253 1.957 20 0 CDADHL CCC1(C(=O)NCCCCP(=O)([O-])[O-])CCC1 ZINC001179027240 915735028 /nfs/dbraw/zinc/73/50/28/915735028.db2.gz XGKFXOZYVSWRNQ-UHFFFAOYSA-N -2 3 263.274 1.641 20 0 CDADHL O=S(=O)([N-][C@@H]1[CH]CC=C1)C(Cl)(Cl)Cl ZINC001192054547 922902495 /nfs/dbraw/zinc/90/24/95/922902495.db2.gz UZPXSYIMMWPGAC-YFKPBYRVSA-N -2 3 263.553 1.766 20 0 CDADHL Cc1cc(NC(=O)NCCP(=O)([O-])[O-])ccc1F ZINC001192400303 923081459 /nfs/dbraw/zinc/08/14/59/923081459.db2.gz FLPIVWXQSXDOTA-UHFFFAOYSA-N -2 3 276.204 1.433 20 0 CDADHL Cc1ccc(OC(=O)NCCP(=O)([O-])[O-])cc1 ZINC001194473609 924235091 /nfs/dbraw/zinc/23/50/91/924235091.db2.gz DBVDUMFDNAPASJ-UHFFFAOYSA-N -2 3 259.198 1.261 20 0 CDADHL O=Nc1c(=O)[n-]c(=O)[nH]c1Nc1ccc(C(=O)[O-])nc1 ZINC001210171284 940668734 /nfs/dbraw/zinc/66/87/34/940668734.db2.gz FRBFZLYKRUSGBL-UHFFFAOYSA-N -2 3 277.196 1.123 20 0 CDADHL COc1ccc(C(=O)[O-])cc1Nc1cc(=O)[n-]c(C)n1 ZINC001210252210 940674928 /nfs/dbraw/zinc/67/49/28/940674928.db2.gz JVVKWFFNQLHEMU-UHFFFAOYSA-N -2 3 275.264 1.941 20 0 CDADHL COc1cc(Nc2cnc(C)[n-]c2=O)cc(C(=O)[O-])c1 ZINC001213588643 940779910 /nfs/dbraw/zinc/77/99/10/940779910.db2.gz CSJVAZBHZLQAEU-UHFFFAOYSA-N -2 3 275.264 1.941 20 0 CDADHL COC(=O)c1cccc([O-])c1[N-]S(=O)(=O)CC(C)C ZINC001259886606 945683288 /nfs/dbraw/zinc/68/32/88/945683288.db2.gz LCIVFUURBLQNNP-UHFFFAOYSA-N -2 3 287.337 1.577 20 0 CDADHL CC(=O)c1cccc(NC(=O)[C@H](C)C(=O)[O-])c1[O-] ZINC001602773836 971508133 /nfs/dbraw/zinc/50/81/33/971508133.db2.gz JHJNZDVTEKXLNE-LURJTMIESA-N -2 3 251.238 1.254 20 0 CDADHL CC[C@]1(C(=O)[O-])CCCN(C(=O)c2c([O-])cccc2O)C1 ZINC000232429241 949770159 /nfs/dbraw/zinc/77/01/59/949770159.db2.gz SPIVMPVXPPQHBQ-HNNXBMFYSA-N -2 3 293.319 1.815 20 0 CDADHL CC(C)(C)OC(=O)c1ccc([N-]S(C)(=O)=O)c([O-])c1 ZINC001252733661 951617298 /nfs/dbraw/zinc/61/72/98/951617298.db2.gz SYGPGILYTBOPHV-UHFFFAOYSA-N -2 3 287.337 1.719 20 0 CDADHL O=C([O-])C1(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC=CC1 ZINC001594870995 954354613 /nfs/dbraw/zinc/35/46/13/954354613.db2.gz JBSSCRFXGDUJPT-UHFFFAOYSA-N -2 3 299.290 1.226 20 0 CDADHL CC[C@](C)(NC(=O)c1ccc(O)cc1[O-])C(=O)[O-] ZINC000094219742 958265055 /nfs/dbraw/zinc/26/50/55/958265055.db2.gz SMGWFXIFLVNWKR-LBPRGKRZSA-N -2 3 253.254 1.081 20 0 CDADHL CC(=O)c1ccc(C(=O)Nc2c[nH]nc2C(=O)[O-])cc1[O-] ZINC001588528210 958882029 /nfs/dbraw/zinc/88/20/29/958882029.db2.gz HBFFHXPNNHSTFG-UHFFFAOYSA-N -2 3 289.247 1.268 20 0 CDADHL CC(=O)c1cccc(NC(=O)[C@@]2(C(=O)[O-])CCCO2)c1[O-] ZINC001588533625 958908363 /nfs/dbraw/zinc/90/83/63/958908363.db2.gz ADTOCZLDFRBUKI-CQSZACIVSA-N -2 3 293.275 1.167 20 0 CDADHL CC1([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC000167977729 959369118 /nfs/dbraw/zinc/36/91/18/959369118.db2.gz DXVLCAVKZDKSRF-UHFFFAOYSA-N -2 3 291.275 1.494 20 0 CDADHL C[C@H](CC(=O)[O-])C(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001571041346 960582653 /nfs/dbraw/zinc/58/26/53/960582653.db2.gz MXFPUZRSRBOJES-SSDOTTSWSA-N -2 3 291.307 1.013 20 0 CDADHL Cc1c2cccc(F)c2oc1C(=O)[N-]n1c(=O)[n-][nH]c1=O ZINC001450461483 967721455 /nfs/dbraw/zinc/72/14/55/967721455.db2.gz BAMCIWBOXLVRCJ-UHFFFAOYSA-N -2 3 292.226 1.267 20 0 CDADHL O=C([O-])C1CN(Cc2cccc([O-])c2Br)C1 ZINC001606046465 973153184 /nfs/dbraw/zinc/15/31/84/973153184.db2.gz QEQRUAYJUHWBQB-UHFFFAOYSA-N -2 3 286.125 1.671 20 0 CDADHL CC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC001603492444 973438231 /nfs/dbraw/zinc/43/82/31/973438231.db2.gz PIEAVEMJVJLSOL-VIFPVBQESA-N -2 3 297.307 1.345 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]Cc2ccsc2)c1 ZINC000710638585 977517950 /nfs/dbraw/zinc/51/79/50/977517950.db2.gz NXFCMIDNRJEGCE-UHFFFAOYSA-N -2 3 287.318 1.518 20 0 CDADHL CC(C)(CNC(=O)c1ccccc1[O-])CC(=O)[O-] ZINC000720928027 978087401 /nfs/dbraw/zinc/08/74/01/978087401.db2.gz PTWATWBLNHRTFT-UHFFFAOYSA-N -2 3 251.282 1.623 20 0 CDADHL CCc1ccc(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])c([O-])c1 ZINC001573828650 983124151 /nfs/dbraw/zinc/12/41/51/983124151.db2.gz XPCHZIXTBOSSLV-PWSUYJOCSA-N -2 3 277.320 1.938 20 0 CDADHL C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cc(=O)[n-]cn2)cc1 ZINC001589521499 987167237 /nfs/dbraw/zinc/16/72/37/987167237.db2.gz QGQHUWSJLQJXGC-MRVPVSSYSA-N -2 3 287.275 1.623 20 0 CDADHL CCc1ccc(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001597500261 988054953 /nfs/dbraw/zinc/05/49/53/988054953.db2.gz IAGUYQXBMSWXPL-BXKDBHETSA-N -2 3 277.320 1.747 20 0 CDADHL CCc1ccc([O-])c(C(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)c1 ZINC001597555692 988281676 /nfs/dbraw/zinc/28/16/76/988281676.db2.gz BSRKBJXSAJQCJW-NOZJJQNGSA-N -2 3 293.319 1.269 20 0 CDADHL CC[C@@H](C)[C@H](OC(=O)c1c[n-]c(C(=O)OC)c1)C(=O)[O-] ZINC001604942513 1163390665 /nfs/dbraw/zinc/39/06/65/1163390665.db2.gz CAZKHGRYSYRSTP-XCBNKYQSSA-N -2 3 283.280 1.457 20 0 CDADHL COCCC(C)(C)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001599209440 997471760 /nfs/dbraw/zinc/47/17/60/997471760.db2.gz DKYSUHSLOJLLNB-UHFFFAOYSA-N -2 3 291.325 1.071 20 0 CDADHL CS[C@@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000162533549 342484445 /nfs/dbraw/zinc/48/44/45/342484445.db2.gz OMMRDNCUAUHDEX-LURJTMIESA-N -2 3 295.407 1.476 20 0 CDADHL CC(C)(C[N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000137483416 361927547 /nfs/dbraw/zinc/92/75/47/361927547.db2.gz VJSSZGXSJBYYEF-UHFFFAOYSA-N -2 3 293.291 1.354 20 0 CDADHL O=C(N=c1ccc([O-])n[n-]1)C1[C@@H]2CCCCCC[C@@H]12 ZINC000622847533 342261253 /nfs/dbraw/zinc/26/12/53/342261253.db2.gz YYVVPJPKZCVOGQ-NXEZZACHSA-N -2 3 261.325 1.759 20 0 CDADHL O=C([O-])[C@@H]1CN(Cc2cc([O-])ccc2Cl)CCO1 ZINC000629486106 362091315 /nfs/dbraw/zinc/09/13/15/362091315.db2.gz XHTZWTPJMKGTBA-NSHDSACASA-N -2 3 271.700 1.331 20 0 CDADHL COCC1(S(=O)(=O)[N-]c2ccccc2[O-])CC1 ZINC000641677707 365718434 /nfs/dbraw/zinc/71/84/34/365718434.db2.gz CXSBPJPXSLROKS-UHFFFAOYSA-N -2 3 257.311 1.313 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)c(F)c1 ZINC000282917261 362175219 /nfs/dbraw/zinc/17/52/19/362175219.db2.gz SJAURXDRLCAKRR-UHFFFAOYSA-N -2 3 273.285 1.030 20 0 CDADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000201850467 342438018 /nfs/dbraw/zinc/43/80/18/342438018.db2.gz RHEHEVLUMKDSEP-UHFFFAOYSA-N -2 3 293.703 1.375 20 0 CDADHL COc1ccc([O-])c([N-]S(=O)(=O)CCC2CC2)c1 ZINC000092277421 342413955 /nfs/dbraw/zinc/41/39/55/342413955.db2.gz BARLQRKUTIBOHY-UHFFFAOYSA-N -2 3 271.338 1.943 20 0 CDADHL CN(Cc1n[n-]c(=O)o1)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000640421572 362264391 /nfs/dbraw/zinc/26/43/91/362264391.db2.gz KQZFDOISYNNSIB-UHFFFAOYSA-N -2 3 297.698 1.335 20 0 CDADHL C[C@@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC000274964218 365871879 /nfs/dbraw/zinc/87/18/79/365871879.db2.gz VJNQXNOXUUFRIO-YFKPBYRVSA-N -2 3 297.254 1.103 20 0 CDADHL CC(C)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000092114013 180327183 /nfs/dbraw/zinc/32/71/83/180327183.db2.gz DIPNKORYUKIYPY-UHFFFAOYSA-N -2 3 275.301 1.458 20 0 CDADHL CC[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000092114010 180327593 /nfs/dbraw/zinc/32/75/93/180327593.db2.gz MYZOJDHHYPYRTQ-SSDOTTSWSA-N -2 3 275.301 1.601 20 0 CDADHL COc1ccc(C(=O)N2CC[C@H](C)C[C@H]2C(=O)[O-])c([O-])c1 ZINC000125333214 351427932 /nfs/dbraw/zinc/42/79/32/351427932.db2.gz BKTCYYFLJHNZDU-CABZTGNLSA-N -2 3 293.319 1.726 20 0 CDADHL CC[C@H](C)[C@@H](NC(=O)c1cc(OC)ccc1[O-])C(=O)[O-] ZINC000036975530 356302595 /nfs/dbraw/zinc/30/25/95/356302595.db2.gz YTFQABSPCYENFM-QPUJVOFHSA-N -2 3 281.308 1.630 20 0 CDADHL CCc1ccc([O-])c([N-]S(=O)(=O)C[C@H](C)OC)c1 ZINC000193120063 358267190 /nfs/dbraw/zinc/26/71/90/358267190.db2.gz LMSMFGWRAUOICQ-VIFPVBQESA-N -2 3 273.354 1.731 20 0 CDADHL C[C@H](CN(C)C(=O)c1ccc(Cl)cc1[O-])c1nnn[n-]1 ZINC000124526628 360376497 /nfs/dbraw/zinc/37/64/97/360376497.db2.gz GZPKSVMYKYWMON-SSDOTTSWSA-N -2 3 295.730 1.434 20 0 CDADHL C[C@H](CN(C)C(=O)c1ccc(Cl)cc1[O-])c1nn[n-]n1 ZINC000124526628 360376503 /nfs/dbraw/zinc/37/65/03/360376503.db2.gz GZPKSVMYKYWMON-SSDOTTSWSA-N -2 3 295.730 1.434 20 0 CDADHL CO[C@@H](C)CS(=O)(=O)[N-]c1c(C)cccc1C(=O)[O-] ZINC000282259296 367800135 /nfs/dbraw/zinc/80/01/35/367800135.db2.gz SCANJNBMGWTEPR-VIFPVBQESA-N -2 3 287.337 1.470 20 0 CDADHL Cn1[n-]cc2/c(=N\C(=O)[N-]OC3CCCC3)ccnc1-2 ZINC000286995638 369054824 /nfs/dbraw/zinc/05/48/24/369054824.db2.gz AWBOUJGHGHNSRT-WJDWOHSUSA-N -2 3 275.312 1.338 20 0 CDADHL O=C([O-])c1ccc([N-]S(=O)(=O)Cc2ccon2)c([O-])c1 ZINC000547541920 369583664 /nfs/dbraw/zinc/58/36/64/369583664.db2.gz ORGSDJWGZJQPQL-UHFFFAOYSA-N -3 3 298.276 1.020 20 0 CDADHL Cc1nc(C)c(CCC(=O)[N-]OCC(C)C)c(=O)[n-]1 ZINC000135336878 369666650 /nfs/dbraw/zinc/66/66/50/369666650.db2.gz NTCSAJUJNACXPW-UHFFFAOYSA-N -2 3 267.329 1.023 20 0 CDADHL C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000564922857 370299667 /nfs/dbraw/zinc/29/96/67/370299667.db2.gz HLYBHNOQAHPMOQ-PSASIEDQSA-N -2 3 287.337 1.835 20 0 CDADHL C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000565653306 370499938 /nfs/dbraw/zinc/49/99/38/370499938.db2.gz DGSAVFFTEXQWPU-NKWVEPMBSA-N -2 3 290.366 1.308 20 0 CDADHL COc1cccc(C(=O)N(C)C[C@@H](C)C(=O)[O-])c1[O-] ZINC000042694914 372966267 /nfs/dbraw/zinc/96/62/67/372966267.db2.gz ZPSTYKVOBWSKTM-MRVPVSSYSA-N -2 3 267.281 1.194 20 0 CDADHL CC(C)([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000040910683 374316969 /nfs/dbraw/zinc/31/69/69/374316969.db2.gz XKDNUAFFZSQAQD-UHFFFAOYSA-N -2 3 283.758 1.543 20 0 CDADHL CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000042556743 374335960 /nfs/dbraw/zinc/33/59/60/374335960.db2.gz JSPALWKBXBKKHY-JGVFFNPUSA-N -2 3 275.326 1.691 20 0 CDADHL Cc1oc(S(=O)(=O)[N-][C@@H]2C=CCCC2)cc1C(=O)[O-] ZINC000645972784 393441977 /nfs/dbraw/zinc/44/19/77/393441977.db2.gz SDTGYDVMPIUNCO-SECBINFHSA-N -2 3 285.321 1.673 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@@H](CCF)C(=O)[O-])s1 ZINC000656162429 413064384 /nfs/dbraw/zinc/06/43/84/413064384.db2.gz FWJSDOLPACUYSD-ZETCQYMHSA-N -2 3 281.330 1.148 20 0 CDADHL Cc1ccc([O-])c(C(=O)NCCC(C)(C)C(=O)[O-])c1 ZINC000261589472 140358205 /nfs/dbraw/zinc/35/82/05/140358205.db2.gz KUMSZJRKFOPOKP-UHFFFAOYSA-N -2 3 265.309 1.931 20 0 CDADHL Cc1cc(Br)c([O-])c(NC(=O)c2c[n-]nn2)c1 ZINC000182920751 148275279 /nfs/dbraw/zinc/27/52/79/148275279.db2.gz SBLRVBBIHNUOHR-UHFFFAOYSA-N -2 3 297.112 1.834 20 0 CDADHL Cc1cc(Br)c([O-])c(NC(=O)c2cnn[n-]2)c1 ZINC000182920751 148275282 /nfs/dbraw/zinc/27/52/82/148275282.db2.gz SBLRVBBIHNUOHR-UHFFFAOYSA-N -2 3 297.112 1.834 20 0 CDADHL Cc1cc(Br)c([O-])c(NC(=O)c2cn[n-]n2)c1 ZINC000182920751 148275285 /nfs/dbraw/zinc/27/52/85/148275285.db2.gz SBLRVBBIHNUOHR-UHFFFAOYSA-N -2 3 297.112 1.834 20 0 CDADHL Cc1ccc(C(=O)N[C@@H](CC(F)F)C(=O)[O-])c([O-])c1 ZINC000262830544 149119349 /nfs/dbraw/zinc/11/93/49/149119349.db2.gz RHXCSVSKCGOFAR-QMMMGPOBSA-N -2 3 273.235 1.539 20 0 CDADHL Cc1nc(C=Cc2cncc(F)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000349106306 154052514 /nfs/dbraw/zinc/05/25/14/154052514.db2.gz HZGYSTUYZYPNNJ-IHWYPQMZSA-N -2 3 289.266 1.822 20 0 CDADHL CC[C@H](C)[C@H](NC(=O)c1ccc(O)cc1[O-])C(=O)[O-] ZINC000022176928 171370719 /nfs/dbraw/zinc/37/07/19/171370719.db2.gz AVMJALQEFFBKRC-CPCISQLKSA-N -2 3 267.281 1.327 20 0 CDADHL CC(C)(F)CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000656720847 413606749 /nfs/dbraw/zinc/60/67/49/413606749.db2.gz DWAXRRLERYQIOW-UHFFFAOYSA-N -2 3 295.357 1.863 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]CC(C)C)oc1C(=O)[O-] ZINC000663418816 414240547 /nfs/dbraw/zinc/24/05/47/414240547.db2.gz BEKFVYCKMXZUMN-UHFFFAOYSA-N -2 3 261.299 1.221 20 0 CDADHL O=C([O-])c1nscc1S(=O)(=O)[N-]CC1=CCCC1 ZINC000663449310 414261134 /nfs/dbraw/zinc/26/11/34/414261134.db2.gz UNPJNBBKKGKOSI-UHFFFAOYSA-N -2 3 288.350 1.230 20 0 CDADHL CC1(C)C[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000045134972 175312345 /nfs/dbraw/zinc/31/23/45/175312345.db2.gz LVIPLHCKPHUUPJ-JTQLQIEISA-N -2 3 287.312 1.601 20 0 CDADHL COc1cccc(C(=O)Nc2ncccc2[O-])c1[O-] ZINC000078227549 177326829 /nfs/dbraw/zinc/32/68/29/177326829.db2.gz ZJPUSYMAMUNJHQ-UHFFFAOYSA-N -2 3 260.249 1.754 20 0 CDADHL CC(C)[C@@H](CNC(=O)N=c1cc2ccccn2[n-]1)C(=O)[O-] ZINC000653545866 424259894 /nfs/dbraw/zinc/25/98/94/424259894.db2.gz PONCTSZLPQMVES-LLVKDONJSA-N -2 3 290.323 1.235 20 0 CDADHL CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc(OC)cc1[O-] ZINC000037589663 270224117 /nfs/dbraw/zinc/22/41/17/270224117.db2.gz KEDPJXXQTOHINX-VIFPVBQESA-N -2 3 281.308 1.726 20 0 CDADHL CC[C@@H](CNc1cc(C)nc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001590445639 1173411366 /nfs/dbraw/zinc/41/13/66/1173411366.db2.gz GZBGYDYTYCDUIW-QMMMGPOBSA-N -2 3 276.300 1.093 20 0 CDADHL O=c1[n-]c(-c2ccc([O-])cn2)nc2ccc([O-])cc21 ZINC000436810082 280451458 /nfs/dbraw/zinc/45/14/58/280451458.db2.gz QXIIORHAZFBSFA-UHFFFAOYSA-N -3 3 255.233 1.809 20 0 CDADHL O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cccs2)C1 ZINC000097062944 289064325 /nfs/dbraw/zinc/06/43/25/289064325.db2.gz CFZHCBUSSFYFMW-SFYZADRCSA-N -2 3 275.351 1.280 20 0 CDADHL COCC1(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])CC1 ZINC000563226523 293318624 /nfs/dbraw/zinc/31/86/24/293318624.db2.gz LYGHBMXEYWCSDZ-UHFFFAOYSA-N -2 3 299.348 1.614 20 0 CDADHL CC(C)C[C@H](C(=O)[O-])[S@@](=O)c1cccc([O-])c1 ZINC000580625102 324515131 /nfs/dbraw/zinc/51/51/31/324515131.db2.gz SEMFSOQBDVLGJL-DIFFPNOSSA-N -2 3 256.323 1.999 20 0 CDADHL Cc1ccc(C(=O)N(C)C(C)(C)C(=O)[O-])c([O-])c1 ZINC000061150111 526054476 /nfs/dbraw/zinc/05/44/76/526054476.db2.gz PMGCOIDHSSMEFQ-UHFFFAOYSA-N -2 3 251.282 1.636 20 0 CDADHL CC[C@@](C)(NC(=O)c1nnc2ccccc2c1[O-])C(=O)[O-] ZINC000736861198 575765261 /nfs/dbraw/zinc/76/52/61/575765261.db2.gz HZNYRMRNGJZRPE-CQSZACIVSA-N -2 3 289.291 1.319 20 0 CDADHL O=C([O-])CCCc1nnc([N-]C(=O)c2ccoc2)s1 ZINC000739712996 576283551 /nfs/dbraw/zinc/28/35/51/576283551.db2.gz WEJGJJBNXGNKGZ-UHFFFAOYSA-N -2 3 281.293 1.791 20 0 CDADHL O=C([O-])C[C@@H]1CCCN(C(=O)c2c([O-])cccc2O)C1 ZINC000232429137 598153297 /nfs/dbraw/zinc/15/32/97/598153297.db2.gz USLZZYCEJNCBPP-VIFPVBQESA-N -2 3 279.292 1.425 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]Cc2cccc(C(=O)[O-])c2)o1 ZINC000821098675 598182679 /nfs/dbraw/zinc/18/26/79/598182679.db2.gz LNYSMVQDBOXZJG-UHFFFAOYSA-N -2 3 295.316 1.765 20 0 CDADHL CC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1c(C)noc1C ZINC000828672218 601480610 /nfs/dbraw/zinc/48/06/10/601480610.db2.gz OQTAREWPMIJSCY-NSHDSACASA-N -2 3 290.341 1.213 20 0 CDADHL COc1ccc(C(=O)N2C[C@H](C)[C@H](C(=O)[O-])C2)c([O-])c1 ZINC000111251401 601691051 /nfs/dbraw/zinc/69/10/51/601691051.db2.gz ABQKCKBTYYHFSB-GZMMTYOYSA-N -2 3 279.292 1.194 20 0 CDADHL CC1(C)CC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000694195489 604553417 /nfs/dbraw/zinc/55/34/17/604553417.db2.gz FJABKIARDYNWLS-SECBINFHSA-N -2 3 287.337 1.835 20 0 CDADHL COc1cc(C(=O)N[C@H](C(=O)[O-])C2CC2)cc(OC)c1[O-] ZINC000833727150 605051894 /nfs/dbraw/zinc/05/18/94/605051894.db2.gz QLTPIPNHQWWHOB-NSHDSACASA-N -2 3 295.291 1.002 20 0 CDADHL C[C@@](NC(=O)Cc1ccc([O-])c(F)c1)(C(=O)[O-])C1CC1 ZINC000909324173 618010424 /nfs/dbraw/zinc/01/04/24/618010424.db2.gz XRZQTQBBPIQTJU-AWEZNQCLSA-N -2 3 281.283 1.443 20 0 CDADHL Cc1ccc(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c([O-])c1 ZINC000910794781 618491161 /nfs/dbraw/zinc/49/11/61/618491161.db2.gz ZXYZQQXTMAOGFQ-IAZYJMLFSA-N -2 3 261.277 1.103 20 0 CDADHL C[C@H](CN(C(=O)Cc1ccc([O-])c(F)c1)C1CC1)C(=O)[O-] ZINC000909455338 619328212 /nfs/dbraw/zinc/32/82/12/619328212.db2.gz HJTFYMFVPOPWAG-SECBINFHSA-N -2 3 295.310 1.786 20 0 CDADHL O=C([O-])C1(CNC(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000909644643 620538993 /nfs/dbraw/zinc/53/89/93/620538993.db2.gz FEJKSGINQNYOPA-UHFFFAOYSA-N -2 3 295.310 1.835 20 0 CDADHL O=C([O-])C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)C1CC1 ZINC000909073723 628488391 /nfs/dbraw/zinc/48/83/91/628488391.db2.gz JUXVGGWNLYVVFO-LLVKDONJSA-N -2 3 281.283 1.443 20 0 CDADHL CC(=O)c1ccc(C(=O)N2CC([C@@H](F)C(=O)[O-])C2)cc1[O-] ZINC000910132135 628873931 /nfs/dbraw/zinc/87/39/31/628873931.db2.gz MEPDPPQAXFDYEG-GFCCVEGCSA-N -2 3 295.266 1.090 20 0 CDADHL O=C(c1cc(F)ccc1[O-])N1CCC(c2nnn[n-]2)CC1 ZINC000913744333 630742543 /nfs/dbraw/zinc/74/25/43/630742543.db2.gz JYDCZYRDECFSKE-UHFFFAOYSA-N -2 3 291.286 1.064 20 0 CDADHL CCOCCO[N-]C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001605639844 1163632572 /nfs/dbraw/zinc/63/25/72/1163632572.db2.gz VMZSJWFNTPDKSM-ARJAWSKDSA-N -2 3 269.253 1.075 20 0 CDADHL Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCC[C@@H]2C(=O)[O-])n1 ZINC001605786355 1163670534 /nfs/dbraw/zinc/67/05/34/1163670534.db2.gz BQXOKYPZEACXJC-WCBMZHEXSA-N -2 3 288.311 1.235 20 0 CDADHL Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CCC[C@@H]2C(=O)[O-])n1 ZINC001605786355 1163670541 /nfs/dbraw/zinc/67/05/41/1163670541.db2.gz BQXOKYPZEACXJC-WCBMZHEXSA-N -2 3 288.311 1.235 20 0 CDADHL COc1ccccc1CCC(=O)[N-]OCCCC(=O)[O-] ZINC001607344643 1164150918 /nfs/dbraw/zinc/15/09/18/1164150918.db2.gz BETCZWHHUHJNGX-UHFFFAOYSA-N -2 3 281.308 1.540 20 0 CDADHL O=C([O-])c1cc([N-]C(=O)C(F)(F)C2CCOCC2)on1 ZINC001608852769 1164664489 /nfs/dbraw/zinc/66/44/89/1164664489.db2.gz ICEXFAWLCADHTH-UHFFFAOYSA-N -2 3 290.222 1.373 20 0 CDADHL O=C([O-])c1cncc(C(=O)Nc2ncccc2[O-])c1 ZINC001610862230 1165465477 /nfs/dbraw/zinc/46/54/77/1165465477.db2.gz LPXVESIKMSJLHW-UHFFFAOYSA-N -2 3 259.221 1.133 20 0 CDADHL O=C([O-])c1coc(C(=O)[N-]c2nc3ccccn3n2)c1 ZINC001610867327 1165467546 /nfs/dbraw/zinc/46/75/46/1165467546.db2.gz YXOFRCPWLYHDGN-UHFFFAOYSA-N -2 3 272.220 1.273 20 0 CDADHL CC(C)c1nc(CN[C@H](CCC(=O)[O-])C(=O)[O-])cs1 ZINC001647416045 1168668592 /nfs/dbraw/zinc/66/85/92/1168668592.db2.gz KJDLJMSNADODKS-SECBINFHSA-N -2 3 286.353 1.674 20 0 CDADHL C[C@@]1(C(=O)[O-])CCC[C@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC001590071827 1173246725 /nfs/dbraw/zinc/24/67/25/1173246725.db2.gz YTALUQBORRJJAJ-NOZJJQNGSA-N -2 3 288.311 1.317 20 0 CDADHL O=C([O-])C1CCC(Nc2ncccc2-c2nnn[n-]2)CC1 ZINC001593274004 1174046617 /nfs/dbraw/zinc/04/66/17/1174046617.db2.gz KSUMRLGCJFUWCD-UHFFFAOYSA-N -2 3 288.311 1.317 20 0 CDADHL O=C([O-])C1CCC(Nc2ncccc2-c2nn[n-]n2)CC1 ZINC001593274004 1174046623 /nfs/dbraw/zinc/04/66/23/1174046623.db2.gz KSUMRLGCJFUWCD-UHFFFAOYSA-N -2 3 288.311 1.317 20 0 CDADHL Cc1nc2c(c(=O)[n-]1)CN([C@@H](C(=O)[O-])c1cccnc1)C2 ZINC001600717302 1174577839 /nfs/dbraw/zinc/57/78/39/1174577839.db2.gz BPXNKQMQNFTIMY-GFCCVEGCSA-N -2 3 286.291 1.027 20 0 CDADHL O=C([O-])Cc1csc([N-]C(=O)c2c(F)ccnc2F)n1 ZINC001602153498 1175144260 /nfs/dbraw/zinc/14/42/60/1175144260.db2.gz VBLXBPLFLGFJPL-UHFFFAOYSA-N -2 3 299.258 1.696 20 0 CDADHL O=C([O-])c1ccc(NCc2cc(=O)[n-]c(C3CC3)n2)nn1 ZINC001602381793 1175229677 /nfs/dbraw/zinc/22/96/77/1175229677.db2.gz LKIXWEOBHWRAQC-UHFFFAOYSA-N -2 3 287.279 1.160 20 0 CDADHL CC(C)(CNC(=O)c1cc(=O)[n-]c(C2CC2)n1)CC(=O)[O-] ZINC001603639085 1175582262 /nfs/dbraw/zinc/58/22/62/1175582262.db2.gz ZJYLTVVBUCWATO-UHFFFAOYSA-N -2 3 293.323 1.290 20 0 CDADHL COc1cccc([O-])c1C(=O)N[C@H](C)/C=C\C(=O)[O-] ZINC001607326379 1164149455 /nfs/dbraw/zinc/14/94/55/1164149455.db2.gz FMCUGKIZGYMPOV-NFXKFNAJSA-N -2 3 265.265 1.160 20 0 CDADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CCC[C@H]1C=CCC1 ZINC001608965334 1164698144 /nfs/dbraw/zinc/69/81/44/1164698144.db2.gz LHONOSOMSQBVGT-VIFPVBQESA-N -2 3 299.352 1.133 20 0 CDADHL C[C@@H](CC(=O)[O-])Nc1c(F)cc(-c2nnn[n-]2)cc1F ZINC001609108850 1164773690 /nfs/dbraw/zinc/77/36/90/1164773690.db2.gz IPLLZXANVRTAHA-YFKPBYRVSA-N -2 3 283.238 1.420 20 0 CDADHL C[C@@H](CC(=O)[O-])Nc1c(F)cc(-c2nn[n-]n2)cc1F ZINC001609108850 1164773696 /nfs/dbraw/zinc/77/36/96/1164773696.db2.gz IPLLZXANVRTAHA-YFKPBYRVSA-N -2 3 283.238 1.420 20 0 CDADHL CCC[C@H]([N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000036838068 844839075 /nfs/dbraw/zinc/83/90/75/844839075.db2.gz QOLYQTWFUZEAKQ-ZETCQYMHSA-N -2 3 292.744 1.267 20 0 CDADHL O=C([O-])[C@H](NC(=O)c1cc([O-])ccc1Cl)C1CC1 ZINC000236448218 845015805 /nfs/dbraw/zinc/01/58/05/845015805.db2.gz GARIAQWKBXGQFB-SNVBAGLBSA-N -2 3 269.684 1.639 20 0 CDADHL C[C@H](CNC(=O)c1nnc2ccccc2c1[O-])CC(=O)[O-] ZINC000777399009 845877143 /nfs/dbraw/zinc/87/71/43/845877143.db2.gz GRWXIOVUIJPVJL-QMMMGPOBSA-N -2 3 289.291 1.176 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])[C@@H]1CCc2ccccc21 ZINC001181762049 917348056 /nfs/dbraw/zinc/34/80/56/917348056.db2.gz CPCLLZIHNCCXQX-CYBMUJFWSA-N -2 3 297.291 1.791 20 0 CDADHL O=Nc1c(=O)[n-]c(=O)[nH]c1NC(=O)c1ccc([O-])cc1F ZINC001186319034 919971840 /nfs/dbraw/zinc/97/18/40/919971840.db2.gz UOTQYCINAUUVEG-UHFFFAOYSA-N -2 3 294.198 1.383 20 0 CDADHL Cc1cc(C(=O)NCCCCP(=O)([O-])[O-])c[nH]1 ZINC001188202138 920901922 /nfs/dbraw/zinc/90/19/22/920901922.db2.gz NOWOYHBAAKICST-UHFFFAOYSA-N -2 3 260.230 1.011 20 0 CDADHL O=C1CCC(S(=O)(=O)[N-]c2ncccc2[O-])CC1 ZINC001194758388 924344093 /nfs/dbraw/zinc/34/40/93/924344093.db2.gz YSFGJJDYIVBIRZ-UHFFFAOYSA-N -2 3 270.310 1.041 20 0 CDADHL O=C(Nc1cc(=O)[n-]c(Cl)n1)c1cn[n-]c1Cl ZINC001194944882 924404563 /nfs/dbraw/zinc/40/45/63/924404563.db2.gz IITLYQZASGGMDU-UHFFFAOYSA-N -2 3 274.067 1.464 20 0 CDADHL O=C(Nc1cc(=O)[n-]c(Cl)n1)c1c[n-]nc1Cl ZINC001194944882 924404565 /nfs/dbraw/zinc/40/45/65/924404565.db2.gz IITLYQZASGGMDU-UHFFFAOYSA-N -2 3 274.067 1.464 20 0 CDADHL O=C(Nc1ncccc1[O-])c1cc(Cl)ncc1[O-] ZINC001196387969 924888215 /nfs/dbraw/zinc/88/82/15/924888215.db2.gz YTEIKNMNGAZZDQ-UHFFFAOYSA-N -2 3 265.656 1.794 20 0 CDADHL COc1nc(Cl)ccc1S(=O)(=O)[N-]C1=CC=C[CH]1 ZINC001198722259 925501944 /nfs/dbraw/zinc/50/19/44/925501944.db2.gz SWFRHNKCFXYAPH-UHFFFAOYSA-N -2 3 285.732 1.680 20 0 CDADHL O=C([O-])CC1(CC(=O)[N-]OCC2CC2)CCCC1 ZINC000688953877 934756713 /nfs/dbraw/zinc/75/67/13/934756713.db2.gz CNRHLPYIKGOCIB-UHFFFAOYSA-N -2 3 255.314 1.869 20 0 CDADHL O=C1CCC(OCCCCP(=O)([O-])[O-])CC1 ZINC001225022397 941816563 /nfs/dbraw/zinc/81/65/63/941816563.db2.gz OQKJOQCZRBUFKP-UHFFFAOYSA-N -2 3 250.231 1.473 20 0 CDADHL CCCOC(=O)[C@H](C)Oc1nc2ncnc-2c([S-])[n-]1 ZINC001226784766 942070102 /nfs/dbraw/zinc/07/01/02/942070102.db2.gz IXZMVPIVSONVBK-LURJTMIESA-N -2 3 282.325 1.362 20 0 CDADHL C[C@@H]1CC[C@@H](Oc2[n-]c(=O)nc3cn[n-]c32)C[C@H]1C ZINC001233939094 943695724 /nfs/dbraw/zinc/69/57/24/943695724.db2.gz HRJDVAGDCWZWII-IWSPIJDZSA-N -2 3 262.313 1.850 20 0 CDADHL Cc1ccc([C@H](C)Oc2[n-]c(=O)nc3cn[n-]c32)cn1 ZINC001233939714 943696495 /nfs/dbraw/zinc/69/64/95/943696495.db2.gz MWYUKGGCKGZKKK-QMMMGPOBSA-N -2 3 271.280 1.490 20 0 CDADHL COc1ccccc1S(=O)(=O)[N-]c1cncc([O-])c1 ZINC001259294880 945553043 /nfs/dbraw/zinc/55/30/43/945553043.db2.gz RSHLRVQZCBOXAP-UHFFFAOYSA-N -2 3 280.305 1.597 20 0 CDADHL Cc1nc(S(=O)(=O)[N-]c2ccc(F)c([O-])c2)cn1C ZINC001260547355 945834105 /nfs/dbraw/zinc/83/41/05/945834105.db2.gz OCHBBBSABIWXOR-UHFFFAOYSA-N -2 3 285.300 1.374 20 0 CDADHL O=C([O-])c1cncc([N-]S(=O)(=O)CC2(F)CC2)c1 ZINC001595272765 949851773 /nfs/dbraw/zinc/85/17/73/949851773.db2.gz TUGJCPKKTFREDY-UHFFFAOYSA-N -2 3 274.273 1.024 20 0 CDADHL O=C([O-])CSCC(=O)Nc1c([O-])cccc1Cl ZINC001595126919 952018472 /nfs/dbraw/zinc/01/84/72/952018472.db2.gz PSMYHHHGNXZHCY-UHFFFAOYSA-N -2 3 275.713 1.802 20 0 CDADHL O=C([O-])Cn1cc(NCc2c(F)ccc([O-])c2F)cn1 ZINC001595147442 952119624 /nfs/dbraw/zinc/11/96/24/952119624.db2.gz CADQSOOEJBUWQG-UHFFFAOYSA-N -2 3 283.234 1.564 20 0 CDADHL O=C([O-])[C@@H](CNC(=O)Cc1ccc([O-])c(F)c1)C1CCC1 ZINC001594707576 956850347 /nfs/dbraw/zinc/85/03/47/956850347.db2.gz JWWIDFPZWAPPSL-NSHDSACASA-N -2 3 295.310 1.691 20 0 CDADHL O=C([O-])C[C@@H](NCc1c(F)ccc(F)c1Cl)C(=O)[O-] ZINC001333184847 958138038 /nfs/dbraw/zinc/13/80/38/958138038.db2.gz CCFOYLBBMVOGFY-MRVPVSSYSA-N -2 3 293.653 1.636 20 0 CDADHL CC(=O)c1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cc1[O-] ZINC001573359878 958588760 /nfs/dbraw/zinc/58/87/60/958588760.db2.gz LJUJFOWAHHJOBL-MNOVXSKESA-N -2 3 291.303 1.578 20 0 CDADHL CC(C)OC(=O)c1cc(NC(=O)C2(C(=O)[O-])CCC2)[n-]n1 ZINC001588929144 962460923 /nfs/dbraw/zinc/46/09/23/962460923.db2.gz MHIOCAODIDLPQQ-UHFFFAOYSA-N -2 3 295.295 1.168 20 0 CDADHL CC(C)OC(=O)c1cc(NC(=O)C2(C(=O)[O-])CCC2)n[n-]1 ZINC001588929144 962460931 /nfs/dbraw/zinc/46/09/31/962460931.db2.gz MHIOCAODIDLPQQ-UHFFFAOYSA-N -2 3 295.295 1.168 20 0 CDADHL O=C([O-])c1ccccc1CC(=O)[N-]OCCC(F)(F)F ZINC000314707056 963795130 /nfs/dbraw/zinc/79/51/30/963795130.db2.gz HKYJNVCHZNRXQD-UHFFFAOYSA-N -2 3 291.225 1.928 20 0 CDADHL C[C@@]1(C(=O)[O-])CCCN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC001603292387 972552597 /nfs/dbraw/zinc/55/25/97/972552597.db2.gz AJRILQGGKLGIKF-AWEZNQCLSA-N -2 3 293.275 1.200 20 0 CDADHL O=C([O-])C[C@@H](CNC(=O)c1ccc(O)cc1[O-])C1CC1 ZINC000690512698 976312445 /nfs/dbraw/zinc/31/24/45/976312445.db2.gz KDMRUMNWICMVMC-VIFPVBQESA-N -2 3 279.292 1.329 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CC23CCC3)c1 ZINC000721189788 978095472 /nfs/dbraw/zinc/09/54/72/978095472.db2.gz VNNYRYBTDHGLBI-MRVPVSSYSA-N -2 3 271.294 1.199 20 0 CDADHL CC(=O)c1cccc(NC(=O)C2(C(=O)[O-])CC2)c1[O-] ZINC001589310963 986089353 /nfs/dbraw/zinc/08/93/53/986089353.db2.gz FNRZYBKXWQQTEE-UHFFFAOYSA-N -2 3 263.249 1.398 20 0 CDADHL CCc1ccc(C(=O)N[C@H](C(=O)[O-])C2CC2)c([O-])c1 ZINC001597500798 988059692 /nfs/dbraw/zinc/05/96/92/988059692.db2.gz WESFVQCAESEBIO-LBPRGKRZSA-N -2 3 263.293 1.548 20 0 CDADHL CC(C)(CC(=O)[O-])C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC001590625535 990309514 /nfs/dbraw/zinc/30/95/14/990309514.db2.gz OFXARGCYMUXKAS-UHFFFAOYSA-N -2 3 294.307 1.604 20 0 CDADHL CC(C)[C@@]1(C)C[C@@H]1[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001591061315 991499639 /nfs/dbraw/zinc/49/96/39/991499639.db2.gz GPUBOYQUQMOAPO-JOYOIKCWSA-N -2 3 287.337 1.691 20 0 CDADHL O=C([O-])Cc1ccc(NC(=O)c2ccc3n[n-]nc3c2)cc1 ZINC000115661887 343416446 /nfs/dbraw/zinc/41/64/46/343416446.db2.gz NEWKNKANAUKMFQ-UHFFFAOYSA-N -2 3 296.286 1.837 20 0 CDADHL CO[C@H](C)CS(=O)(=O)[N-]c1cc([O-])c(F)cc1F ZINC000414390994 363120683 /nfs/dbraw/zinc/12/06/83/363120683.db2.gz BPBUBCFPHLZMEW-ZCFIWIBFSA-N -2 3 281.280 1.447 20 0 CDADHL CC[C@H](C)CO[N-]C(=O)CCc1c(C)nc(C)[n-]c1=O ZINC000292127074 198174422 /nfs/dbraw/zinc/17/44/22/198174422.db2.gz IJXCHKMBMMTHRC-VIFPVBQESA-N -2 3 281.356 1.826 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CCC[C@H](C(=O)[O-])C2)n1 ZINC000569934917 363223413 /nfs/dbraw/zinc/22/34/13/363223413.db2.gz SRJWHBWRAVZQBF-VIFPVBQESA-N -2 3 265.313 1.041 20 0 CDADHL CCC[C@@H]([N-]S(=O)(=O)c1cc(C)ccc1F)C(=O)[O-] ZINC000036838121 356886160 /nfs/dbraw/zinc/88/61/60/356886160.db2.gz ALULQZRKVOVPDW-SNVBAGLBSA-N -2 3 289.328 1.666 20 0 CDADHL CCC[C@@H](NC(=O)c1ccc(OC)cc1[O-])C(=O)[O-] ZINC000036831729 356886203 /nfs/dbraw/zinc/88/62/03/356886203.db2.gz SAHVDYSBXMKASY-SNVBAGLBSA-N -2 3 267.281 1.384 20 0 CDADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@H](C)CCC(=O)[O-])c1 ZINC000070311957 357719501 /nfs/dbraw/zinc/71/95/01/357719501.db2.gz DUZHZVSETHHEQT-SECBINFHSA-N -2 3 289.328 1.666 20 0 CDADHL COc1ccc([O-])c(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)c1 ZINC000092919644 357748648 /nfs/dbraw/zinc/74/86/48/357748648.db2.gz RTFKTZQXUGFJSV-WCBMZHEXSA-N -2 3 279.292 1.336 20 0 CDADHL CC(C)(C)CC[C@H]([N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000277365334 366424942 /nfs/dbraw/zinc/42/49/42/366424942.db2.gz YYETWGCBIVYFBV-VIFPVBQESA-N -2 3 289.353 1.837 20 0 CDADHL O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cncc([O-])c1 ZINC000111776416 359482284 /nfs/dbraw/zinc/48/22/84/359482284.db2.gz SBHQUXUZIRPVDR-UHFFFAOYSA-N -2 3 282.263 1.220 20 0 CDADHL O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cncc([O-])c1 ZINC000111776416 359482286 /nfs/dbraw/zinc/48/22/86/359482286.db2.gz SBHQUXUZIRPVDR-UHFFFAOYSA-N -2 3 282.263 1.220 20 0 CDADHL O=S(=O)(C[C@@H]1CCCO1)[N-]c1cc([O-])c(F)cc1F ZINC000414395099 241182232 /nfs/dbraw/zinc/18/22/32/241182232.db2.gz LXPCIVXJMGGNCH-ZETCQYMHSA-N -2 3 293.291 1.591 20 0 CDADHL CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1 ZINC000282299380 367819102 /nfs/dbraw/zinc/81/91/02/367819102.db2.gz XBEUKSFPMGODSB-ZETCQYMHSA-N -2 3 291.300 1.301 20 0 CDADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]CCC(C)(F)F ZINC000357706527 372591025 /nfs/dbraw/zinc/59/10/25/372591025.db2.gz YJGFQUSCQJAYGX-UHFFFAOYSA-N -2 3 297.279 1.610 20 0 CDADHL O=C([O-])CC1([N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000398240809 373675216 /nfs/dbraw/zinc/67/52/16/373675216.db2.gz DIUSLJPNZXHNPX-UHFFFAOYSA-N -2 3 295.769 1.687 20 0 CDADHL C[C@H](CCC1CC1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000398407794 373698768 /nfs/dbraw/zinc/69/87/68/373698768.db2.gz KTIMQJCHMVVSEJ-MRVPVSSYSA-N -2 3 287.337 1.835 20 0 CDADHL CO[C@H]1CCN(C(=O)c2ccc(C)cc2[O-])[C@@H](C(=O)[O-])C1 ZINC000572060932 377677434 /nfs/dbraw/zinc/67/74/34/377677434.db2.gz VWIIPVULOJSTBF-CMPLNLGQSA-N -2 3 293.319 1.405 20 0 CDADHL C[C@@H](N=c1ncnc2[nH][n-]cc1-2)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656092616 413016018 /nfs/dbraw/zinc/01/60/18/413016018.db2.gz PJKOVSGHSDYMEV-FKTZTGRPSA-N -2 3 289.339 1.274 20 0 CDADHL O=C(NCc1n[nH]c(=O)[n-]1)c1cc2ccccc2cc1[O-] ZINC000392588967 391415158 /nfs/dbraw/zinc/41/51/58/391415158.db2.gz QEGULDOLOKDYOI-UHFFFAOYSA-N -2 3 284.275 1.299 20 0 CDADHL Cc1cc(F)c(S(=O)(=O)[N-]CCCC(=O)[O-])cc1F ZINC000261846563 131172603 /nfs/dbraw/zinc/17/26/03/131172603.db2.gz LSYJOMZEAOVNGN-UHFFFAOYSA-N -2 3 293.291 1.416 20 0 CDADHL O=C([O-])C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000262693593 131251870 /nfs/dbraw/zinc/25/18/70/131251870.db2.gz WSXKQPYMGNYXQX-UHFFFAOYSA-N -2 3 289.256 1.130 20 0 CDADHL COc1ccc([O-])c(C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)c1 ZINC000262184935 149030412 /nfs/dbraw/zinc/03/04/12/149030412.db2.gz MVWLFCUCDGASRB-SECBINFHSA-N -2 3 293.319 1.726 20 0 CDADHL COc1cccc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])c1[O-] ZINC000019480323 170809632 /nfs/dbraw/zinc/80/96/32/170809632.db2.gz RITNIIWAHRZOKQ-JTQLQIEISA-N -2 3 281.308 1.630 20 0 CDADHL Cc1ccc(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c([O-])c1 ZINC000035390190 172173156 /nfs/dbraw/zinc/17/31/56/172173156.db2.gz NINFIZWKSDWSOC-NSHDSACASA-N -2 3 265.309 1.930 20 0 CDADHL CC(C)(C)[C@H](NC(=O)c1ccc(O)cc1[O-])C(=O)[O-] ZINC000035390424 172173639 /nfs/dbraw/zinc/17/36/39/172173639.db2.gz SAFIXYVDMSFZFW-SNVBAGLBSA-N -2 3 267.281 1.327 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]CCc2ccoc2)cc1C(=O)[O-] ZINC000656722564 413608577 /nfs/dbraw/zinc/60/85/77/413608577.db2.gz FMLFAGFVTJLXDX-UHFFFAOYSA-N -2 3 299.304 1.400 20 0 CDADHL Cc1cccc(C(=O)N[C@](C)(C(=O)[O-])C2CC2)c1[O-] ZINC000037366089 173155465 /nfs/dbraw/zinc/15/54/65/173155465.db2.gz FNKWLUGHRSLYAV-AWEZNQCLSA-N -2 3 263.293 1.684 20 0 CDADHL CSc1ccc([O-])c(C(=O)N[C@H](C)C(=O)[O-])c1 ZINC000659761587 414083845 /nfs/dbraw/zinc/08/38/45/414083845.db2.gz OGKYMNLBWRTTEN-ZCFIWIBFSA-N -2 3 255.295 1.317 20 0 CDADHL CCN(CCC(=O)[O-])C(=O)c1ccc(OC)cc1[O-] ZINC000038023281 174004941 /nfs/dbraw/zinc/00/49/41/174004941.db2.gz BVPOCIFMWXSJLR-UHFFFAOYSA-N -2 3 267.281 1.338 20 0 CDADHL CC(C)[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)C(=O)[O-] ZINC001589457603 1173146938 /nfs/dbraw/zinc/14/69/38/1173146938.db2.gz WCXSYNWEZYJABZ-SECBINFHSA-N -2 3 276.300 1.030 20 0 CDADHL CC(C)[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)C(=O)[O-] ZINC001589457603 1173146941 /nfs/dbraw/zinc/14/69/41/1173146941.db2.gz WCXSYNWEZYJABZ-SECBINFHSA-N -2 3 276.300 1.030 20 0 CDADHL CC(C)C[C@H](CNC(=O)c1ccccc1[O-])C(=O)[O-] ZINC000094702146 265249087 /nfs/dbraw/zinc/24/90/87/265249087.db2.gz IBEUGWWEIZTWAQ-SNVBAGLBSA-N -2 3 265.309 1.869 20 0 CDADHL CC1(C)CC[C@@]([N-]S(=O)(=O)c2ccco2)(C(=O)[O-])C1 ZINC000551915526 290025910 /nfs/dbraw/zinc/02/59/10/290025910.db2.gz JZQCAFYESRMRTC-LBPRGKRZSA-N -2 3 287.337 1.591 20 0 CDADHL O=C(N=c1cc2ccccn2[n-]1)c1ncccc1[O-] ZINC000553324971 290112159 /nfs/dbraw/zinc/11/21/59/290112159.db2.gz TWFLJBBADZWXAL-UHFFFAOYSA-N -2 3 254.249 1.109 20 0 CDADHL C[C@H](C(=O)[O-])N(C)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000263564019 298210659 /nfs/dbraw/zinc/21/06/59/298210659.db2.gz DRMPWJLVWXJZMR-SECBINFHSA-N -2 3 277.320 1.816 20 0 CDADHL Cc1ccc(C(=O)N=c2ccc([O-])n[n-]2)c2c1CCC2 ZINC000578963139 324066109 /nfs/dbraw/zinc/06/61/09/324066109.db2.gz DNEQCHUYTMNIAB-UHFFFAOYSA-N -2 3 269.304 1.654 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C(C)C)o1 ZINC000582731268 325034029 /nfs/dbraw/zinc/03/40/29/325034029.db2.gz YNECYSLODRWKQX-SECBINFHSA-N -2 3 275.326 1.223 20 0 CDADHL O=C([O-])[C@@H](CF)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000582843678 325054901 /nfs/dbraw/zinc/05/49/01/325054901.db2.gz UDHHWPCFQJTMOA-SECBINFHSA-N -2 3 295.719 1.182 20 0 CDADHL CC(C)(C)CC[C@@H](N=c1ncnc2[nH][n-]cc1-2)C(=O)[O-] ZINC000416437737 534598766 /nfs/dbraw/zinc/59/87/66/534598766.db2.gz ICRBRTKISCQJQU-SECBINFHSA-N -2 3 277.328 1.418 20 0 CDADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]CC(C)C)c1 ZINC000184853653 524189296 /nfs/dbraw/zinc/18/92/96/524189296.db2.gz BTOTVHLQEMJBLW-UHFFFAOYSA-N -2 3 289.328 1.767 20 0 CDADHL Cc1cccc(C(=O)NCC2(C(=O)[O-])CCC2)c1[O-] ZINC000138522039 538431372 /nfs/dbraw/zinc/43/13/72/538431372.db2.gz BXFGQZUIAYFRDJ-UHFFFAOYSA-N -2 3 263.293 1.685 20 0 CDADHL Cc1ccc([C@@H](CN=c2ncnc3[nH][n-]cc2-3)C(=O)[O-])cc1 ZINC000738567489 574706876 /nfs/dbraw/zinc/70/68/76/574706876.db2.gz GEUUELXJBPXUFK-LLVKDONJSA-N -2 3 297.318 1.315 20 0 CDADHL O=C([O-])CCCCOC(=O)c1ccc([O-])cc1O ZINC000738574846 574721708 /nfs/dbraw/zinc/72/17/08/574721708.db2.gz YGXLHAHALKEDHM-UHFFFAOYSA-N -2 3 254.238 1.510 20 0 CDADHL O=C(Nc1ncccc1[O-])c1ccc2n[n-]c(=S)n2c1 ZINC000774089688 575180818 /nfs/dbraw/zinc/18/08/18/575180818.db2.gz OYIQPSSUQDDMGF-UHFFFAOYSA-N -2 3 287.304 1.371 20 0 CDADHL CCCCn1c(=O)[n-]nc1SC/C=C(/C)C(=O)[O-] ZINC000737009093 575793081 /nfs/dbraw/zinc/79/30/81/575793081.db2.gz NUAOLZSSPXBBML-YVMONPNESA-N -2 3 271.342 1.907 20 0 CDADHL O=C([O-])c1ccc(C(=O)OCc2cc(=O)c([O-])co2)s1 ZINC000740120048 576427061 /nfs/dbraw/zinc/42/70/61/576427061.db2.gz CCGVTAPIIHKFNQ-UHFFFAOYSA-N -2 3 296.256 1.462 20 0 CDADHL O=C([O-])c1coc(C(=O)COC(=O)c2cncc([O-])c2)c1 ZINC000740259540 576452775 /nfs/dbraw/zinc/45/27/75/576452775.db2.gz XXHJZUYEIJIWHS-UHFFFAOYSA-N -2 3 291.215 1.118 20 0 CDADHL O=C([O-])[C@H]1CC12CCN(C(=O)c1ccccc1[O-])CC2 ZINC000405351003 600319169 /nfs/dbraw/zinc/31/91/69/600319169.db2.gz CTLYPFPJADKYDE-LLVKDONJSA-N -2 3 275.304 1.719 20 0 CDADHL CC(C)OCCO[N-]C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000908330864 628138516 /nfs/dbraw/zinc/13/85/16/628138516.db2.gz XAMMDMGGZMJQPT-UHFFFAOYSA-N -2 3 281.312 1.146 20 0 CDADHL CC[C@](C)(CC(=O)[O-])NC(=O)Cc1ccc([O-])c(F)c1 ZINC000909053321 628494109 /nfs/dbraw/zinc/49/41/09/628494109.db2.gz XVHHGBPNWHUMTF-CQSZACIVSA-N -2 3 283.299 1.833 20 0 CDADHL O=C([O-])[C@@]1(F)CCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000909306165 628623347 /nfs/dbraw/zinc/62/33/47/628623347.db2.gz DXAJQWQWFHAMCV-CYBMUJFWSA-N -2 3 285.246 1.099 20 0 CDADHL O=C([O-])[C@H](CC1CCCCC1)NC(=O)c1cc(=O)[n-]cn1 ZINC001608391985 1164504762 /nfs/dbraw/zinc/50/47/62/1164504762.db2.gz DPJGDZRFSQNAHF-NSHDSACASA-N -2 3 293.323 1.336 20 0 CDADHL COc1ccc([C@@H]([N-]C(=O)C(F)F)C(=O)[O-])cc1Cl ZINC001610322677 1165289878 /nfs/dbraw/zinc/28/98/78/1165289878.db2.gz ZCQQOERWWBYXNV-MRVPVSSYSA-N -2 3 293.653 1.856 20 0 CDADHL Cc1ccoc1CC(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001581303440 1172602054 /nfs/dbraw/zinc/60/20/54/1172602054.db2.gz MEWIOJDCRGSVSO-UHFFFAOYSA-N -2 3 299.290 1.421 20 0 CDADHL Cc1ccoc1CC(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001581303440 1172602060 /nfs/dbraw/zinc/60/20/60/1172602060.db2.gz MEWIOJDCRGSVSO-UHFFFAOYSA-N -2 3 299.290 1.421 20 0 CDADHL C[C@H](C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1)C(C)(F)F ZINC001589002911 1173117736 /nfs/dbraw/zinc/11/77/36/1173117736.db2.gz HZOVVMIZHJNEAI-SSDOTTSWSA-N -2 3 297.265 1.568 20 0 CDADHL C[C@H](C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1)C(C)(F)F ZINC001589002911 1173117740 /nfs/dbraw/zinc/11/77/40/1173117740.db2.gz HZOVVMIZHJNEAI-SSDOTTSWSA-N -2 3 297.265 1.568 20 0 CDADHL Cc1cc([N-]S(=O)(=O)CCCCF)ncc1C(=O)[O-] ZINC001600281651 1174436005 /nfs/dbraw/zinc/43/60/05/1174436005.db2.gz KERDEFPQSGROJI-UHFFFAOYSA-N -2 3 290.316 1.580 20 0 CDADHL Cc1nc(-c2nnn[n-]2)c(-n2[n-]c(C)c(C(C)C)c2=O)o1 ZINC001603825791 1175645221 /nfs/dbraw/zinc/64/52/21/1175645221.db2.gz DNXFCOUNHSUFLQ-QMMMGPOBSA-N -2 3 289.299 1.158 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]3CCCC[C@H]23)o1 ZINC000712432813 698345198 /nfs/dbraw/zinc/34/51/98/698345198.db2.gz SZIINAUJXQTPHC-LPEHRKFASA-N -2 3 299.348 1.835 20 0 CDADHL O=C([O-])c1nsc([N-]C(=O)c2cnc(C3CC3)s2)n1 ZINC001609004303 1164718876 /nfs/dbraw/zinc/71/88/76/1164718876.db2.gz ANXQUHDABJNVOR-UHFFFAOYSA-N -2 3 296.333 1.823 20 0 CDADHL COc1ccc(C(F)(F)C(=O)[N-][C@H](CF)C(=O)[O-])cc1 ZINC001610320842 1165289425 /nfs/dbraw/zinc/28/94/25/1165289425.db2.gz KDMUYLUOQXOAHM-SECBINFHSA-N -2 3 291.225 1.326 20 0 CDADHL O=C([N-]OCCC(F)(F)F)C(=O)c1ccc([O-])cc1 ZINC000807289126 848808899 /nfs/dbraw/zinc/80/88/99/848808899.db2.gz JSTXMHBHFCGKDM-UHFFFAOYSA-N -2 3 277.198 1.575 20 0 CDADHL O=C([O-])c1cc(C=Cc2nccc(=O)[n-]2)ccc1O ZINC000809154601 849044207 /nfs/dbraw/zinc/04/42/07/849044207.db2.gz ZNEWDXHLHOJXRJ-DUXPYHPUSA-N -2 3 258.233 1.756 20 0 CDADHL O=C([O-])C(F)(F)C(F)(F)C(=O)Nc1ccc(F)c([O-])c1 ZINC001180173793 916171158 /nfs/dbraw/zinc/17/11/58/916171158.db2.gz LWHVDYLFIGYQOZ-UHFFFAOYSA-N -2 3 299.151 1.825 20 0 CDADHL O=C(Cn1cc(F)c(=O)[n-]c1=O)Nc1ccccc1[S-] ZINC001183660744 918626797 /nfs/dbraw/zinc/62/67/97/918626797.db2.gz ZSRHNFFFYBYHLU-UHFFFAOYSA-N -2 3 295.295 1.015 20 0 CDADHL COc1nc(S(=O)(=O)[N-][C@H]2[CH]CC=C2)ccc1F ZINC001190132935 921882617 /nfs/dbraw/zinc/88/26/17/921882617.db2.gz SRGQZXOEAKUWIO-MRVPVSSYSA-N -2 3 271.293 1.040 20 0 CDADHL Nc1ccccc1S(=O)(=O)[N-]c1ncc([O-])cc1Cl ZINC001193900686 923967814 /nfs/dbraw/zinc/96/78/14/923967814.db2.gz QZRBELRCCVRWQH-UHFFFAOYSA-N -2 3 299.739 1.824 20 0 CDADHL Nc1[nH]c(=O)[n-]c(=O)c1Nc1ccc(CCC(=O)[O-])cc1 ZINC001213621058 940780598 /nfs/dbraw/zinc/78/05/98/940780598.db2.gz MVOOERGNQODOQG-UHFFFAOYSA-N -2 3 290.279 1.231 20 0 CDADHL CCOC(=O)C(F)(F)[C@H](CC)OCCP(=O)([O-])[O-] ZINC001224606239 941775883 /nfs/dbraw/zinc/77/58/83/941775883.db2.gz NDSBOVQRJNUSHT-ZETCQYMHSA-N -2 3 290.199 1.158 20 0 CDADHL COC(=O)[C@@H]1C[C@H](OCCCCP(=O)([O-])[O-])C1(C)C ZINC001225018812 941814497 /nfs/dbraw/zinc/81/44/97/941814497.db2.gz IGOIQLUVXFTJGV-UWVGGRQHSA-N -2 3 294.284 1.549 20 0 CDADHL CCOC(=O)[C@@H]1CC[C@@H](OCCCCP(=O)([O-])[O-])C1 ZINC001225018919 941814741 /nfs/dbraw/zinc/81/47/41/941814741.db2.gz LRLFRRGGAZTKEA-GHMZBOCLSA-N -2 3 294.284 1.693 20 0 CDADHL Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1ccc(C(=O)[O-])cc1)C2 ZINC001600717365 970852117 /nfs/dbraw/zinc/85/21/17/970852117.db2.gz DCHCCKMUFOJVIE-UHFFFAOYSA-N -2 3 299.286 1.345 20 0 CDADHL C[C@H](Oc1[n-]c(=O)nc2cnncc21)C1=CC=C[CH]1 ZINC001226690777 942049638 /nfs/dbraw/zinc/04/96/38/942049638.db2.gz IRLNUDKHIHGTPP-QMMMGPOBSA-N -2 3 255.257 1.593 20 0 CDADHL C[C@H](Oc1[n-]c(=O)nc2nc(Br)[n-]c21)C1CC1 ZINC001227593623 942191982 /nfs/dbraw/zinc/19/19/82/942191982.db2.gz FOGIJBNVVKNZSO-BYPYZUCNSA-N -2 3 299.128 1.998 20 0 CDADHL C[C@@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1ccc(F)cc1 ZINC001233933547 943693627 /nfs/dbraw/zinc/69/36/27/943693627.db2.gz DANVGDOLKPGPCD-SSDOTTSWSA-N -2 3 274.255 1.925 20 0 CDADHL C[C@@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1cccc(N(C)C)c1 ZINC001233939763 943697176 /nfs/dbraw/zinc/69/71/76/943697176.db2.gz OJUMRKMPZYSVDV-SECBINFHSA-N -2 3 299.334 1.852 20 0 CDADHL COC(=O)Cc1ccc([O-])c([N-]S(=O)(=O)C(F)F)c1 ZINC001259956550 945743923 /nfs/dbraw/zinc/74/39/23/945743923.db2.gz OYHLQPAMYCSWPW-UHFFFAOYSA-N -2 3 295.263 1.072 20 0 CDADHL CC[C@@H](C)S(=O)(=O)[N-]c1cc([O-])ccc1C(=O)OC ZINC001260743839 945888506 /nfs/dbraw/zinc/88/85/06/945888506.db2.gz SWEJTFQHQNSABI-MRVPVSSYSA-N -2 3 287.337 1.719 20 0 CDADHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1nc(C2CC2)cs1 ZINC001362727874 971565305 /nfs/dbraw/zinc/56/53/05/971565305.db2.gz XBMURFRKYVOOQJ-UHFFFAOYSA-N -2 3 292.320 1.152 20 0 CDADHL COC(=O)c1cnc(S[C@H](CC(C)C)C(=O)[O-])[n-]1 ZINC001593867470 955596985 /nfs/dbraw/zinc/59/69/85/955596985.db2.gz CEDGAUFNHNYSAR-MRVPVSSYSA-N -2 3 272.326 1.788 20 0 CDADHL O=C([O-])[C@@H]1C[C@@H](NC(=O)c2cc(=O)[n-]cn2)c2ccccc21 ZINC001594726883 957014669 /nfs/dbraw/zinc/01/46/69/957014669.db2.gz PCHVALRKJYGXFX-GHMZBOCLSA-N -2 3 299.286 1.225 20 0 CDADHL Cc1oc(CNC(=O)c2cccc(O)c2[O-])cc1C(=O)[O-] ZINC000126006928 958577221 /nfs/dbraw/zinc/57/72/21/958577221.db2.gz JSQFYFKBZQOTMC-UHFFFAOYSA-N -2 3 291.259 1.627 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCSC2)o1 ZINC000228550952 960024946 /nfs/dbraw/zinc/02/49/46/960024946.db2.gz XAVKJLYZQFWCFG-ZETCQYMHSA-N -2 3 291.350 1.009 20 0 CDADHL CSC1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000235049942 960381982 /nfs/dbraw/zinc/38/19/82/960381982.db2.gz NGLOZWXQAZXOGT-UHFFFAOYSA-N -2 3 291.350 1.152 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccco1 ZINC001571062058 960780476 /nfs/dbraw/zinc/78/04/76/960780476.db2.gz IKCQTIXEYDLPKK-RKDXNWHRSA-N -2 3 297.288 1.405 20 0 CDADHL Cc1nocc1S(=O)(=O)[N-]C[C@H](CC(C)C)C(=O)[O-] ZINC001574443232 961424984 /nfs/dbraw/zinc/42/49/84/961424984.db2.gz IDGJFLRSOIDNCY-VIFPVBQESA-N -2 3 290.341 1.008 20 0 CDADHL CC1(C)CC[C@@H]1[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000310728668 963429160 /nfs/dbraw/zinc/42/91/60/963429160.db2.gz BIUICWBYYWOTGC-LURJTMIESA-N -2 3 290.366 1.308 20 0 CDADHL O=C([O-])c1ccnc(S(=O)(=O)[N-]CCC(F)(F)F)c1 ZINC000312023803 963529542 /nfs/dbraw/zinc/52/95/42/963529542.db2.gz WWRIUWQTXMCNLM-UHFFFAOYSA-N -2 3 298.242 1.011 20 0 CDADHL COc1cccc([O-])c1C(=O)N(C)CCCC(=O)[O-] ZINC000404665585 968327990 /nfs/dbraw/zinc/32/79/90/968327990.db2.gz YHLUGCPUROJSAQ-UHFFFAOYSA-N -2 3 267.281 1.338 20 0 CDADHL CCCc1ncc(C(=O)NCc2nc([O-])cc(=O)[n-]2)s1 ZINC001454188274 968441703 /nfs/dbraw/zinc/44/17/03/968441703.db2.gz GUBPKVTVBZZZKU-UHFFFAOYSA-N -2 3 294.336 1.227 20 0 CDADHL Cc1cccc([O-])c1C(=O)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000706611933 969017925 /nfs/dbraw/zinc/01/79/25/969017925.db2.gz NVKZLDNLIRPOCJ-KOLCDFICSA-N -2 3 277.320 1.883 20 0 CDADHL O=C([O-])C1CC2(C1)CC[C@H](CNc1cc(=O)[n-]cn1)O2 ZINC001605987932 973041648 /nfs/dbraw/zinc/04/16/48/973041648.db2.gz OZYJMZVODIQRHG-XQVHRTOBSA-N -2 3 279.296 1.007 20 0 CDADHL Cn1cc(C(=O)[O-])c(NC(=O)c2cc([O-])ccc2Cl)n1 ZINC001574211502 983192786 /nfs/dbraw/zinc/19/27/86/983192786.db2.gz CRVACRGEUHJWRF-UHFFFAOYSA-N -2 3 295.682 1.730 20 0 CDADHL C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1c(F)ccc([O-])c1F ZINC001604638229 1163262446 /nfs/dbraw/zinc/26/24/46/1163262446.db2.gz VZPHEUOIRLSSGX-YUMQZZPRSA-N -2 3 271.263 1.965 20 0 CDADHL CSc1ccc([O-])c(C(=O)N2CC[C@H]2C(=O)[O-])c1 ZINC001599820001 988496346 /nfs/dbraw/zinc/49/63/46/988496346.db2.gz MRNMJGKCGYTYKQ-VIFPVBQESA-N -2 3 267.306 1.413 20 0 CDADHL CCC[C@](C)(NC(=O)c1cc(F)cc2n[n-]nc21)C(=O)[O-] ZINC001605198845 1163484709 /nfs/dbraw/zinc/48/47/09/1163484709.db2.gz RMQOQUURKANZCI-ZDUSSCGKSA-N -2 3 294.286 1.470 20 0 CDADHL CCC(CC)([N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000094240600 342063562 /nfs/dbraw/zinc/06/35/62/342063562.db2.gz CNSZJVAHIAYOIA-UHFFFAOYSA-N -2 3 277.367 1.670 20 0 CDADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@@H]1C=C[C@@H](C(=O)[O-])C1 ZINC000275085111 365916397 /nfs/dbraw/zinc/91/63/97/365916397.db2.gz ZLQSKFQPONCHDJ-NXEZZACHSA-N -2 3 299.323 1.442 20 0 CDADHL Cc1nnc(-n2[n-]c3c(c2=O)C[C@H](C)CC3)[n-]c1=O ZINC000634586114 356465504 /nfs/dbraw/zinc/46/55/04/356465504.db2.gz CAYPTXZPGKKUMY-HTRCEHHLSA-N -2 3 261.285 1.024 20 0 CDADHL CCOc1cc(C(=O)[N-]c2n[n-]c(SC)n2)on1 ZINC000294648016 199121286 /nfs/dbraw/zinc/12/12/86/199121286.db2.gz HFKXOIWSGPCCBK-UHFFFAOYSA-N -2 3 269.286 1.166 20 0 CDADHL CCCC[C@H]([N-]S(=O)(=O)c1cc(C)cs1)C(=O)[O-] ZINC000263276919 359252310 /nfs/dbraw/zinc/25/23/10/359252310.db2.gz YDFFURWZYQTHQD-VIFPVBQESA-N -2 3 291.394 1.978 20 0 CDADHL Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](C)C(=O)[O-])cc1F ZINC000274929403 192844890 /nfs/dbraw/zinc/84/48/90/192844890.db2.gz ORVXDORMASYDPE-ZETCQYMHSA-N -2 3 293.291 1.272 20 0 CDADHL Cc1csc(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])c1 ZINC000424390028 360035345 /nfs/dbraw/zinc/03/53/45/360035345.db2.gz JBEDISLCFODMLN-UHFFFAOYSA-N -2 3 291.394 1.836 20 0 CDADHL Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])cc1F ZINC000340450794 370920176 /nfs/dbraw/zinc/92/01/76/370920176.db2.gz HTNFTFGELSYVPW-SSDOTTSWSA-N -2 3 293.291 1.415 20 0 CDADHL C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000564922859 370299693 /nfs/dbraw/zinc/29/96/93/370299693.db2.gz HLYBHNOQAHPMOQ-WCBMZHEXSA-N -2 3 287.337 1.835 20 0 CDADHL N=c1[n-]nc(SCc2ncccc2[O-])n1C1CC1 ZINC000565240708 370401006 /nfs/dbraw/zinc/40/10/06/370401006.db2.gz BSFLEFAJXNOXNJ-UHFFFAOYSA-N -2 3 263.326 1.418 20 0 CDADHL C[C@@H](CC[N-]S(=O)(=O)c1cccs1)CC(=O)[O-] ZINC000274946854 371197327 /nfs/dbraw/zinc/19/73/27/371197327.db2.gz FWULGIRPLCLVFN-QMMMGPOBSA-N -2 3 277.367 1.527 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CCC[C@@H]2CC(=O)[O-])n1 ZINC000578369733 372427792 /nfs/dbraw/zinc/42/77/92/372427792.db2.gz YEYIZWDKLUZBLW-SNVBAGLBSA-N -2 3 265.313 1.184 20 0 CDADHL CCc1ccc([O-])c(C(=O)N(CC(=O)[O-])CC2CC2)c1 ZINC000653325234 412800381 /nfs/dbraw/zinc/80/03/81/412800381.db2.gz RMWPUQKKRUGMTJ-UHFFFAOYSA-N -2 3 277.320 1.891 20 0 CDADHL COc1ccc(C(=O)N(C)C[C@H](C)C(=O)[O-])c([O-])c1 ZINC000042694844 372966547 /nfs/dbraw/zinc/96/65/47/372966547.db2.gz NFFWZXVXBKOGCK-QMMMGPOBSA-N -2 3 267.281 1.194 20 0 CDADHL COc1ccc(C(=O)N[C@@H](C)[C@H](C)C(=O)[O-])c([O-])c1 ZINC000132720743 375578011 /nfs/dbraw/zinc/57/80/11/375578011.db2.gz ZMWZFHNJJLLICN-YUMQZZPRSA-N -2 3 267.281 1.240 20 0 CDADHL O=C(/C=C\c1cncc([O-])c1)NCc1ncccc1[O-] ZINC000492017117 253140472 /nfs/dbraw/zinc/14/04/72/253140472.db2.gz ITHRWFJRFHGBQS-ARJAWSKDSA-N -2 3 271.276 1.217 20 0 CDADHL C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])c2c([O-])cccc21 ZINC000647741408 391048712 /nfs/dbraw/zinc/04/87/12/391048712.db2.gz FYKAGBHSHVSUMX-FBIMIBRVSA-N -2 3 275.304 1.953 20 0 CDADHL Cc1nc2ccccc2cc1C(=O)N=c1ccc([O-])n[n-]1 ZINC000343706922 152272463 /nfs/dbraw/zinc/27/24/63/152272463.db2.gz ANKBBAYWEQWSGZ-UHFFFAOYSA-N -2 3 280.287 1.713 20 0 CDADHL CC(C)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000020304907 171141533 /nfs/dbraw/zinc/14/15/33/171141533.db2.gz AHCSHYIXEUCSNS-QMMMGPOBSA-N -2 3 289.328 1.847 20 0 CDADHL O=C([O-])[C@@H](NC(=O)c1ccc(O)cc1[O-])c1ccccc1 ZINC000022161502 171364219 /nfs/dbraw/zinc/36/42/19/171364219.db2.gz OFYRALGFYXEMKU-ZDUSSCGKSA-N -2 3 287.271 1.654 20 0 CDADHL O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1ccccc1F ZINC000284975885 196169419 /nfs/dbraw/zinc/16/94/19/196169419.db2.gz FQKBRQZFEYZQHF-JTQLQIEISA-N -2 3 287.312 1.357 20 0 CDADHL C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C1CC1 ZINC000035733550 172384832 /nfs/dbraw/zinc/38/48/32/172384832.db2.gz VBMKKMRVDSDULF-LURJTMIESA-N -2 3 259.283 1.055 20 0 CDADHL CCc1cc(C[N-]S(=O)(=O)c2ccccc2[O-])on1 ZINC000656914983 413796021 /nfs/dbraw/zinc/79/60/21/413796021.db2.gz JMAVRFUUFKAUOQ-UHFFFAOYSA-N -2 3 282.321 1.421 20 0 CDADHL O=C([O-])CCC[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000037418141 173195529 /nfs/dbraw/zinc/19/55/29/173195529.db2.gz CECHXIRZHRRFBK-UHFFFAOYSA-N -2 3 295.719 1.622 20 0 CDADHL CC[C@H](CC[N-]S(=O)(=O)c1cc(C)cs1)C(=O)[O-] ZINC000568964422 294129237 /nfs/dbraw/zinc/12/92/37/294129237.db2.gz PZWSXVCVWOWRMY-SECBINFHSA-N -2 3 291.394 1.836 20 0 CDADHL Cc1csc(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)c1 ZINC000570412693 294235822 /nfs/dbraw/zinc/23/58/22/294235822.db2.gz FKMOKWOFNYDLSW-UHFFFAOYSA-N -2 3 289.378 1.732 20 0 CDADHL CSCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000566618182 316642869 /nfs/dbraw/zinc/64/28/69/316642869.db2.gz WIXBAIIGTCGEPF-UHFFFAOYSA-N -2 3 279.339 1.009 20 0 CDADHL CCCC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000579953760 324325630 /nfs/dbraw/zinc/32/56/30/324325630.db2.gz ICHNTARMONPHAS-UHFFFAOYSA-N -2 3 275.326 1.835 20 0 CDADHL COCCCn1c(=O)[n-]nc1SCc1ncccc1[O-] ZINC000580150534 324378897 /nfs/dbraw/zinc/37/88/97/324378897.db2.gz ZMGJRNJMXCCZIH-UHFFFAOYSA-N -2 3 296.352 1.413 20 0 CDADHL O=C([N-]c1nc2n(n1)CCCC2)c1c(F)ccc([O-])c1F ZINC000583068587 325098985 /nfs/dbraw/zinc/09/89/85/325098985.db2.gz AIQSEHTZZVTXKW-UHFFFAOYSA-N -2 3 294.261 1.851 20 0 CDADHL CC(C)[C@H](CNC(=O)c1ccc2n[n-]nc2c1)C(=O)[O-] ZINC000087476843 482856838 /nfs/dbraw/zinc/85/68/38/482856838.db2.gz GLZDNFYSYTYGIL-VIFPVBQESA-N -2 3 276.296 1.045 20 0 CDADHL Cc1ccc([O-])c(C(=O)NC[C@H](C(=O)[O-])C(C)C)c1 ZINC000087479421 482859522 /nfs/dbraw/zinc/85/95/22/482859522.db2.gz DANPAEQTMMRGRI-NSHDSACASA-N -2 3 265.309 1.787 20 0 CDADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000262334983 535981835 /nfs/dbraw/zinc/98/18/35/535981835.db2.gz FXXCDWFTPPPXHM-CBAPKCEASA-N -2 3 261.299 1.057 20 0 CDADHL CC(C)(C)C(=O)[N-]OCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000736242757 575598521 /nfs/dbraw/zinc/59/85/21/575598521.db2.gz WOMXGMQHSBJFPF-UHFFFAOYSA-N -2 3 294.307 1.417 20 0 CDADHL CN(CCCc1nc(-c2ccc([O-])cc2)no1)C(=O)[O-] ZINC000737441590 575965461 /nfs/dbraw/zinc/96/54/61/575965461.db2.gz XUDYPIZKKQLEIH-UHFFFAOYSA-N -2 3 277.280 1.985 20 0 CDADHL O=C([O-])[C@@H](Cc1ccccc1)OC(=O)c1cncc([O-])c1 ZINC000738712937 576104358 /nfs/dbraw/zinc/10/43/58/576104358.db2.gz GRUYVHLUECDZPI-CYBMUJFWSA-N -2 3 287.271 1.640 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)CCc1ccccc1O ZINC001601995301 1175104595 /nfs/dbraw/zinc/10/45/95/1175104595.db2.gz OTRLRZPNXZTBKV-UHFFFAOYSA-N -2 3 267.281 1.237 20 0 CDADHL O=C([O-])C1(C(=O)Nc2ncccc2[O-])CCSCC1 ZINC000901982743 618460120 /nfs/dbraw/zinc/46/01/20/618460120.db2.gz FANJJNWXSGDAGB-UHFFFAOYSA-N -2 3 282.321 1.324 20 0 CDADHL CC[C@@H](C)N(CC(=O)[O-])C(=O)NCc1ccc([O-])c(F)c1 ZINC000909047167 628489538 /nfs/dbraw/zinc/48/95/38/628489538.db2.gz FYRCDZDPOIOLGH-SECBINFHSA-N -2 3 298.314 1.926 20 0 CDADHL CCCN(C(=O)NCc1ccc([O-])c(F)c1)[C@@H](C)C(=O)[O-] ZINC000909047510 628490222 /nfs/dbraw/zinc/49/02/22/628490222.db2.gz HVARSBHTHVMBNN-VIFPVBQESA-N -2 3 298.314 1.926 20 0 CDADHL COc1cc(C(=O)N(C)C[C@@H](C)C(=O)[O-])cc(OC)c1[O-] ZINC000909153865 628535063 /nfs/dbraw/zinc/53/50/63/628535063.db2.gz GFRBIIMRWZHKDP-MRVPVSSYSA-N -2 3 297.307 1.202 20 0 CDADHL C[C@@](CC(=O)[O-])(NC(=O)Cc1ccc([O-])c(F)c1)C1CC1 ZINC000910319418 628991710 /nfs/dbraw/zinc/99/17/10/628991710.db2.gz QIKONFAQEBOLHY-HNNXBMFYSA-N -2 3 295.310 1.833 20 0 CDADHL CCCCOC[C@@H](C)OC[C@@H](C)OCCP(=O)([O-])[O-] ZINC001224601758 1160779311 /nfs/dbraw/zinc/77/93/11/1160779311.db2.gz KLFWIFFPJGFZPX-VXGBXAGGSA-N -2 3 298.316 1.791 20 0 CDADHL CCc1coc([N-]C(=O)c2cc(C(=O)[O-])no2)n1 ZINC001605841318 1163685139 /nfs/dbraw/zinc/68/51/39/1163685139.db2.gz KSNJNUKWXIESJH-UHFFFAOYSA-N -2 3 251.198 1.176 20 0 CDADHL Cc1cccc([O-])c1C(=O)Nc1cccc(CC(=O)[O-])n1 ZINC001607858717 1164313525 /nfs/dbraw/zinc/31/35/25/1164313525.db2.gz VOVCUHFINWWZKB-UHFFFAOYSA-N -2 3 286.287 1.975 20 0 CDADHL O=C([O-])c1coc(/C=C/C(=O)[N-]OC/C=C\Cl)c1 ZINC001608285931 1164481277 /nfs/dbraw/zinc/48/12/77/1164481277.db2.gz YCIZSQVDABYGIN-NAOWAUKJSA-N -2 3 271.656 1.791 20 0 CDADHL CC(=Cc1cnccn1)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001609060325 1164753103 /nfs/dbraw/zinc/75/31/03/1164753103.db2.gz ISEQVUJYGNURDS-FNORWQNLSA-N -2 3 296.294 1.021 20 0 CDADHL CC(=Cc1cnccn1)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001609060325 1164753107 /nfs/dbraw/zinc/75/31/07/1164753107.db2.gz ISEQVUJYGNURDS-FNORWQNLSA-N -2 3 296.294 1.021 20 0 CDADHL CN(C(=O)c1cc2ccccc2cc1[O-])c1nnn[n-]1 ZINC001634121453 1166472646 /nfs/dbraw/zinc/47/26/46/1166472646.db2.gz KEVOYPVCUUSOCW-UHFFFAOYSA-N -2 3 269.264 1.335 20 0 CDADHL CN(C(=O)c1cc2ccccc2cc1[O-])c1nn[n-]n1 ZINC001634121453 1166472648 /nfs/dbraw/zinc/47/26/48/1166472648.db2.gz KEVOYPVCUUSOCW-UHFFFAOYSA-N -2 3 269.264 1.335 20 0 CDADHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1cc2occc2s1 ZINC001642457003 1167176080 /nfs/dbraw/zinc/17/60/80/1167176080.db2.gz WHAAYPMKMOWUHY-UHFFFAOYSA-N -2 3 291.288 1.626 20 0 CDADHL CC(=Cc1cocn1)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001588771806 1173105851 /nfs/dbraw/zinc/10/58/51/1173105851.db2.gz AFVVIKKPHKIUOD-UTCJRWHESA-N -2 3 285.267 1.219 20 0 CDADHL CC(=Cc1cocn1)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001588771806 1173105855 /nfs/dbraw/zinc/10/58/55/1173105855.db2.gz AFVVIKKPHKIUOD-UTCJRWHESA-N -2 3 285.267 1.219 20 0 CDADHL CCO[N-]C(=O)C(C)(C)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001590818457 1173523139 /nfs/dbraw/zinc/52/31/39/1173523139.db2.gz AHTDTLLUSAQRRV-UHFFFAOYSA-N -2 3 293.302 1.351 20 0 CDADHL CCO[N-]C(=O)C(C)(C)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001590818457 1173523144 /nfs/dbraw/zinc/52/31/44/1173523144.db2.gz AHTDTLLUSAQRRV-UHFFFAOYSA-N -2 3 293.302 1.351 20 0 CDADHL O=C([O-])CSc1c(Cl)cccc1-c1nnn[n-]1 ZINC001593278506 1174039333 /nfs/dbraw/zinc/03/93/33/1174039333.db2.gz JEFAOHFHYKSCDM-UHFFFAOYSA-N -2 3 270.701 1.697 20 0 CDADHL O=C([O-])CSc1c(Cl)cccc1-c1nn[n-]n1 ZINC001593278506 1174039339 /nfs/dbraw/zinc/03/93/39/1174039339.db2.gz JEFAOHFHYKSCDM-UHFFFAOYSA-N -2 3 270.701 1.697 20 0 CDADHL O=C([O-])C1CN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC000095142355 1174496069 /nfs/dbraw/zinc/49/60/69/1174496069.db2.gz MQFRMTPTQOKPNZ-UHFFFAOYSA-N -2 3 279.687 1.041 20 0 CDADHL O=C([O-])C1CN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC000095142355 1174496072 /nfs/dbraw/zinc/49/60/72/1174496072.db2.gz MQFRMTPTQOKPNZ-UHFFFAOYSA-N -2 3 279.687 1.041 20 0 CDADHL O=C([O-])C[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC000095177019 1174504777 /nfs/dbraw/zinc/50/47/77/1174504777.db2.gz XIRONQIWOQLQQV-JTQLQIEISA-N -2 3 288.311 1.095 20 0 CDADHL O=C([O-])C[C@@H]1CCCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC000095177019 1174504783 /nfs/dbraw/zinc/50/47/83/1174504783.db2.gz XIRONQIWOQLQQV-JTQLQIEISA-N -2 3 288.311 1.095 20 0 CDADHL Cn1ncc2c1nc(S[C@@H](C(=O)[O-])C(C)(C)C)[n-]c2=O ZINC001601030704 1174708770 /nfs/dbraw/zinc/70/87/70/1174708770.db2.gz ITINPIMWXVYIHT-ZETCQYMHSA-N -2 3 296.352 1.660 20 0 CDADHL O=C([O-])c1ccc(C(=O)[N-]c2nc(C3CC3)no2)o1 ZINC001602325679 1175205128 /nfs/dbraw/zinc/20/51/28/1175205128.db2.gz LOGQZTGPMSKMLB-UHFFFAOYSA-N -2 3 263.209 1.491 20 0 CDADHL O=C([O-])c1cncc(CN2CCC[C@@H](C(=O)[O-])C2)c1 ZINC001602537967 1175277722 /nfs/dbraw/zinc/27/77/22/1175277722.db2.gz HNHJUDZQMDLLQM-SNVBAGLBSA-N -2 3 264.281 1.076 20 0 CDADHL O=C([O-])c1cncnc1NCc1ccc([O-])c(F)c1 ZINC001602543104 1175283096 /nfs/dbraw/zinc/28/30/96/1175283096.db2.gz CPVAKOGMSBPFMD-UHFFFAOYSA-N -2 3 263.228 1.632 20 0 CDADHL O=C([O-])[C@@H]1CCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000780687292 709539207 /nfs/dbraw/zinc/53/92/07/709539207.db2.gz ZYDUCENLJKECOJ-JTQLQIEISA-N -2 3 282.271 1.290 20 0 CDADHL CC(C)Cn1[n-]c(CC(=O)[N-]OC2CCCC2)cc1=O ZINC000935241849 711648001 /nfs/dbraw/zinc/64/80/01/711648001.db2.gz BRODMHMASJPPQA-UHFFFAOYSA-N -2 3 281.356 1.365 20 0 CDADHL COc1nnc(NC(=O)CCc2ccccc2C(=O)[O-])[n-]1 ZINC001607358248 1164157655 /nfs/dbraw/zinc/15/76/55/1164157655.db2.gz UHMMQEOYDIVQON-UHFFFAOYSA-N -2 3 290.279 1.083 20 0 CDADHL COc1nc(NC(=O)CCc2ccccc2C(=O)[O-])n[n-]1 ZINC001607358248 1164157661 /nfs/dbraw/zinc/15/76/61/1164157661.db2.gz UHMMQEOYDIVQON-UHFFFAOYSA-N -2 3 290.279 1.083 20 0 CDADHL COc1n[n-]c(NC(=O)CCc2ccccc2C(=O)[O-])n1 ZINC001607358248 1164157663 /nfs/dbraw/zinc/15/76/63/1164157663.db2.gz UHMMQEOYDIVQON-UHFFFAOYSA-N -2 3 290.279 1.083 20 0 CDADHL CC(C)(CS(=O)(=O)[N-]c1cccc(O)c1F)C(=O)[O-] ZINC001609677844 1165036530 /nfs/dbraw/zinc/03/65/30/1165036530.db2.gz HGZFGMOPHAQIBI-UHFFFAOYSA-N -2 3 291.300 1.384 20 0 CDADHL COc1ccc(C(F)(F)C(=O)[N-][C@@H](CF)C(=O)[O-])cc1 ZINC001610320843 1165289294 /nfs/dbraw/zinc/28/92/94/1165289294.db2.gz KDMUYLUOQXOAHM-VIFPVBQESA-N -2 3 291.225 1.326 20 0 CDADHL O=c1nc2nc(Br)[n-]c2c(O[C@H]2C=CCC2)[n-]1 ZINC001227595610 906385633 /nfs/dbraw/zinc/38/56/33/906385633.db2.gz BDAFEJMXLWANRE-YFKPBYRVSA-N -2 3 297.112 1.918 20 0 CDADHL CCOC(=O)[C@H]1CCC[C@@H](OCCP(=O)([O-])[O-])C1 ZINC001224601032 909911242 /nfs/dbraw/zinc/91/12/42/909911242.db2.gz DDNDRDKABPZYJF-VHSXEESVSA-N -2 3 280.257 1.303 20 0 CDADHL Cc1cccc(CC(=O)NCCCCP(=O)([O-])[O-])c1C ZINC001183261759 918413995 /nfs/dbraw/zinc/41/39/95/918413995.db2.gz KRHQFYKCGHMLKL-UHFFFAOYSA-N -2 3 299.307 1.920 20 0 CDADHL C[C@H]1CCC[C@@H](C(=O)NCCCCP(=O)([O-])[O-])C1 ZINC001184516491 919188796 /nfs/dbraw/zinc/18/87/96/919188796.db2.gz ULHNBBRLSMCFTA-WDEREUQCSA-N -2 3 277.301 1.887 20 0 CDADHL O=C(NCCP(=O)([O-])[O-])N[C@@H]1C[C@H]1c1ccccc1 ZINC001201939398 926425646 /nfs/dbraw/zinc/42/56/46/926425646.db2.gz XJECSMSQQYFSLP-WDEREUQCSA-N -2 3 284.252 1.019 20 0 CDADHL COC(=O)c1ccc([O-])c([N-]S(=O)(=O)C(C)C)c1 ZINC001252514580 928866432 /nfs/dbraw/zinc/86/64/32/928866432.db2.gz YCJQCXBICCOKLF-UHFFFAOYSA-N -2 3 273.310 1.329 20 0 CDADHL Cc1cccc(NC(=O)NCCP(=O)([O-])[O-])c1C ZINC001202707988 930492486 /nfs/dbraw/zinc/49/24/86/930492486.db2.gz LHGCMIZJUGJLHD-UHFFFAOYSA-N -2 3 272.241 1.603 20 0 CDADHL O=Nc1c(=O)[n-]c(=O)[nH]c1Nc1cnc(F)c(C(=O)[O-])c1 ZINC001215104991 940857053 /nfs/dbraw/zinc/85/70/53/940857053.db2.gz FRGRMYJTWZXOKJ-UHFFFAOYSA-N -2 3 295.186 1.262 20 0 CDADHL CCOC(=O)[C@H](OCCCCP(=O)([O-])[O-])C1CC1 ZINC001225018852 941814407 /nfs/dbraw/zinc/81/44/07/941814407.db2.gz JMKNDOQNEYSZGL-SNVBAGLBSA-N -2 3 280.257 1.303 20 0 CDADHL COC(C[C@H](C)OCCCCP(=O)([O-])[O-])OC ZINC001225018603 941814956 /nfs/dbraw/zinc/81/49/56/941814956.db2.gz BYUXJDYNFDRAFP-VIFPVBQESA-N -2 3 270.262 1.358 20 0 CDADHL C[C@H]1CC[C@@H](COCCCCP(=O)([O-])[O-])O1 ZINC001225021122 941815037 /nfs/dbraw/zinc/81/50/37/941815037.db2.gz DIQLJWLVFHIOQZ-UWVGGRQHSA-N -2 3 252.247 1.528 20 0 CDADHL C[C@@H](O)CCCC(=O)Oc1nc2ncnc-2c([S-])[n-]1 ZINC001226784293 942070311 /nfs/dbraw/zinc/07/03/11/942070311.db2.gz GDFDVLMFFLCZAZ-ZCFIWIBFSA-N -2 3 282.325 1.098 20 0 CDADHL O=S(=O)([N-]c1cncc([O-])c1)c1cc(F)ccc1F ZINC001258941823 945452589 /nfs/dbraw/zinc/45/25/89/945452589.db2.gz CQMSXSBMVRGMQU-UHFFFAOYSA-N -2 3 286.259 1.866 20 0 CDADHL Cc1ccc(-c2cnn(CC(=O)[O-])c2)cc1-c1nnn[n-]1 ZINC001242187578 946632343 /nfs/dbraw/zinc/63/23/43/946632343.db2.gz RSLXZMSJFSJUFE-UHFFFAOYSA-N -2 3 284.279 1.123 20 0 CDADHL Cc1ccc(-c2cnn(CC(=O)[O-])c2)cc1-c1nn[n-]n1 ZINC001242187578 946632348 /nfs/dbraw/zinc/63/23/48/946632348.db2.gz RSLXZMSJFSJUFE-UHFFFAOYSA-N -2 3 284.279 1.123 20 0 CDADHL O=C([O-])c1ccccc1CN=c1ncnc2[nH][n-]cc1-2 ZINC001595255071 949587467 /nfs/dbraw/zinc/58/74/67/949587467.db2.gz GBBVYWZZCWMYIA-UHFFFAOYSA-N -2 3 269.264 1.037 20 0 CDADHL Cc1nocc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1ccccc1 ZINC001594500929 955319557 /nfs/dbraw/zinc/31/95/57/955319557.db2.gz CELVVPSGNKXHLH-NSHDSACASA-N -2 3 296.304 1.087 20 0 CDADHL CC(=O)c1ccc(C(=O)Nc2n[nH]cc2C(=O)[O-])cc1[O-] ZINC001573359840 958588470 /nfs/dbraw/zinc/58/84/70/958588470.db2.gz KLIAVWHFNBISKP-UHFFFAOYSA-N -2 3 289.247 1.268 20 0 CDADHL C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1c([O-])cccc1O ZINC000232429756 960268751 /nfs/dbraw/zinc/26/87/51/960268751.db2.gz BDSXZPDIUJHTQN-JGVFFNPUSA-N -2 3 265.265 1.033 20 0 CDADHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1sccc1Cl ZINC001434232088 961101138 /nfs/dbraw/zinc/10/11/38/961101138.db2.gz OTEWALYGUHOWJE-UHFFFAOYSA-N -2 3 285.712 1.533 20 0 CDADHL CCc1ccc(C(=O)Nc2c[nH]nc2C(=O)[O-])c([O-])c1 ZINC001573954929 961666416 /nfs/dbraw/zinc/66/64/16/961666416.db2.gz RQPLSONBAOMHBZ-UHFFFAOYSA-N -2 3 275.264 1.628 20 0 CDADHL CCc1ccc(C(=O)NCC2(C(=O)[O-])CCC2)c([O-])c1 ZINC001573955445 961667547 /nfs/dbraw/zinc/66/75/47/961667547.db2.gz WVEJURNDXVRCNJ-UHFFFAOYSA-N -2 3 277.320 1.939 20 0 CDADHL CN(Cc1nc(=O)c2sccc2[n-]1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000693024169 976569205 /nfs/dbraw/zinc/56/92/05/976569205.db2.gz SRTSERLPJOJCGQ-OCAPTIKFSA-N -2 3 293.348 1.692 20 0 CDADHL Cc1ccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)o1 ZINC000694190612 976678015 /nfs/dbraw/zinc/67/80/15/976678015.db2.gz YURZNBDWUGGNBQ-UHFFFAOYSA-N -2 3 285.277 1.358 20 0 CDADHL CCC[C@](C)(NC(=O)c1ccc(N)cc1[O-])C(=O)[O-] ZINC001595553773 981431840 /nfs/dbraw/zinc/43/18/40/981431840.db2.gz NFSZLSYLDLZMQH-ZDUSSCGKSA-N -2 3 266.297 1.348 20 0 CDADHL C=C/C=C\CC[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001588720579 983968241 /nfs/dbraw/zinc/96/82/41/983968241.db2.gz BFSXIGOODIGDRD-ARJAWSKDSA-N -2 3 271.294 1.388 20 0 CDADHL CC(C)(C)C(=O)CCCC(=O)[N-]OCCCC(=O)[O-] ZINC001589686258 987731968 /nfs/dbraw/zinc/73/19/68/987731968.db2.gz WMRCOGPLBHHDOD-UHFFFAOYSA-N -2 3 273.329 1.685 20 0 CDADHL CCc1ccc(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])c([O-])c1 ZINC001597500362 988054727 /nfs/dbraw/zinc/05/47/27/988054727.db2.gz KSKWOLKDMDPDDK-ONGXEEELSA-N -2 3 281.283 1.592 20 0 CDADHL CCc1ccc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)c([O-])c1 ZINC001597500534 988056563 /nfs/dbraw/zinc/05/65/63/988056563.db2.gz MUROCQUVZHFPSH-LLVKDONJSA-N -2 3 293.319 1.270 20 0 CDADHL CCCCn1ncc([N-]S(=O)(=O)CCC(=O)[O-])c1C ZINC001605296115 1163516423 /nfs/dbraw/zinc/51/64/23/1163516423.db2.gz YSNNFISHNLAKES-UHFFFAOYSA-N -2 3 289.357 1.208 20 0 CDADHL COC(=O)CCS(=O)(=O)[N-]c1c([O-])cccc1Cl ZINC000603421037 344800284 /nfs/dbraw/zinc/80/02/84/344800284.db2.gz XIPLVUDMRMWOTF-UHFFFAOYSA-N -2 3 293.728 1.350 20 0 CDADHL O=C([O-])CCCCC(=O)[N-]OCc1ccccc1 ZINC000086435813 179292929 /nfs/dbraw/zinc/29/29/29/179292929.db2.gz COXWDARUJZKNSR-UHFFFAOYSA-N -2 3 251.282 1.879 20 0 CDADHL O=C(N=c1[n-]ncs1)c1cc2ccsc2[n-]1 ZINC000618169730 349392430 /nfs/dbraw/zinc/39/24/30/349392430.db2.gz MCPDKTMJTQSWSZ-UHFFFAOYSA-N -2 3 250.308 1.755 20 0 CDADHL O=C([O-])c1cccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)c1 ZINC000264649942 363116158 /nfs/dbraw/zinc/11/61/58/363116158.db2.gz ORJMWJKIMPKOLX-LBPRGKRZSA-N -2 3 299.348 1.696 20 0 CDADHL Cc1ccc(C(=O)N(C)CCCC(=O)[O-])c([O-])c1 ZINC000036924994 356891411 /nfs/dbraw/zinc/89/14/11/356891411.db2.gz FYLFZUYBRHMQFX-UHFFFAOYSA-N -2 3 251.282 1.637 20 0 CDADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](C)CCC(=O)[O-])c1 ZINC000070311956 357719373 /nfs/dbraw/zinc/71/93/73/357719373.db2.gz DUZHZVSETHHEQT-VIFPVBQESA-N -2 3 289.328 1.666 20 0 CDADHL Cc1ccc(CO[C@@H](C)C(=O)N=c2ccc([O-])n[n-]2)cc1 ZINC000637126661 359243449 /nfs/dbraw/zinc/24/34/49/359243449.db2.gz HVDALGJLCJOIFE-NSHDSACASA-N -2 3 287.319 1.456 20 0 CDADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(C)cs1)C(=O)[O-] ZINC000263227315 359245042 /nfs/dbraw/zinc/24/50/42/359245042.db2.gz RQZLVMJDIOPDMC-WPRPVWTQSA-N -2 3 291.394 1.834 20 0 CDADHL CC1(C(=O)[O-])CCN(C(=O)c2ccc3n[n-]nc3c2)CC1 ZINC000062842463 360005738 /nfs/dbraw/zinc/00/57/38/360005738.db2.gz ZJLYYVJMBPAAEI-UHFFFAOYSA-N -2 3 288.307 1.285 20 0 CDADHL COCC1(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])CC1 ZINC000565053864 360770972 /nfs/dbraw/zinc/77/09/72/360770972.db2.gz GLECWWYQDQYEBJ-UHFFFAOYSA-N -2 3 285.321 1.306 20 0 CDADHL O=C(N=c1cc2ccccn2[n-]1)c1cc(F)ccc1[O-] ZINC000582198071 361105165 /nfs/dbraw/zinc/10/51/65/361105165.db2.gz JLTOEOJPXQIMNG-UHFFFAOYSA-N -2 3 271.251 1.853 20 0 CDADHL O=c1c2c([n-]n1-c1cn[n-]c(=O)c1Cl)CCCC2 ZINC000629942611 364213599 /nfs/dbraw/zinc/21/35/99/364213599.db2.gz DYUWHBUIXBHFKK-ZCFIWIBFSA-N -2 3 266.688 1.728 20 0 CDADHL Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c([O-])c1 ZINC000652125706 412781623 /nfs/dbraw/zinc/78/16/23/412781623.db2.gz CBXVWDPMLFSFLG-QWHCGFSZSA-N -2 3 289.331 1.883 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC2(C3CC3)CCC2)o1 ZINC000391420192 370574318 /nfs/dbraw/zinc/57/43/18/370574318.db2.gz CRVUNVJPBINHSI-UHFFFAOYSA-N -2 3 299.348 1.836 20 0 CDADHL COc1ccc(C(=O)N2CCCCC[C@@H]2C(=O)[O-])c([O-])c1 ZINC000081009071 374488647 /nfs/dbraw/zinc/48/86/47/374488647.db2.gz RQZYKWUHQFOPJF-GFCCVEGCSA-N -2 3 293.319 1.870 20 0 CDADHL O=C(Nc1nnc(-c2ccccn2)[n-]1)c1cncc([O-])c1 ZINC000171863943 377122428 /nfs/dbraw/zinc/12/24/28/377122428.db2.gz JPOOILVMYOWCML-UHFFFAOYSA-N -2 3 282.263 1.220 20 0 CDADHL O=C(Nc1nc(-c2ccccn2)n[n-]1)c1cncc([O-])c1 ZINC000171863943 377122431 /nfs/dbraw/zinc/12/24/31/377122431.db2.gz JPOOILVMYOWCML-UHFFFAOYSA-N -2 3 282.263 1.220 20 0 CDADHL CCOc1cc(C(=O)[N-]c2nc(CC)n[n-]2)on1 ZINC000450133844 251145849 /nfs/dbraw/zinc/14/58/49/251145849.db2.gz ICFYLLFQXAIMIO-UHFFFAOYSA-N -2 3 251.246 1.006 20 0 CDADHL CC(C)[C@](C)(CC(=O)[O-])NC(=O)c1ccc2n[n-]nc2c1 ZINC000262974456 131277023 /nfs/dbraw/zinc/27/70/23/131277023.db2.gz MXSAYRCPSOBWNJ-AWEZNQCLSA-N -2 3 290.323 1.577 20 0 CDADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccco1)c1ccccc1 ZINC000574267095 392555766 /nfs/dbraw/zinc/55/57/66/392555766.db2.gz ZPIZKWCHECIIPI-NSHDSACASA-N -2 3 295.316 1.426 20 0 CDADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C1CCCC1 ZINC000645967942 393439260 /nfs/dbraw/zinc/43/92/60/393439260.db2.gz DLNAFEAFFKVGPY-QMMMGPOBSA-N -2 3 287.337 1.835 20 0 CDADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@H](CCF)C(=O)[O-] ZINC000656162089 413065099 /nfs/dbraw/zinc/06/50/99/413065099.db2.gz BJNIETAXMFBZIW-SECBINFHSA-N -2 3 293.291 1.225 20 0 CDADHL CN(CC(=O)[O-])Cc1cc(=O)oc2cc([O-])ccc12 ZINC000035304982 172118873 /nfs/dbraw/zinc/11/88/73/172118873.db2.gz RJNDVGGBHMWLED-UHFFFAOYSA-N -2 3 263.249 1.015 20 0 CDADHL CSc1ccc([O-])c(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000659762644 414085637 /nfs/dbraw/zinc/08/56/37/414085637.db2.gz NMGSJHOASHVEPQ-LLVKDONJSA-N -2 3 297.332 1.040 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@H]2CC=CCC2)oc1C(=O)[O-] ZINC000663422313 414246106 /nfs/dbraw/zinc/24/61/06/414246106.db2.gz JLOACVZCWOPKDS-VIFPVBQESA-N -2 3 285.321 1.673 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]C[C@H](C)C(C)C)oc1C(=O)[O-] ZINC000663425583 414247185 /nfs/dbraw/zinc/24/71/85/414247185.db2.gz YYNDHRSOARRAMP-VIFPVBQESA-N -2 3 289.353 1.857 20 0 CDADHL O=C([O-])C[C@H]1CCCCN1C(=O)c1ccc2n[n-]nc2c1 ZINC000038026429 174011881 /nfs/dbraw/zinc/01/18/81/174011881.db2.gz JFIGMLLXMLXFKB-SNVBAGLBSA-N -2 3 288.307 1.427 20 0 CDADHL O=C(Nc1nnn[n-]1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000094155537 265221041 /nfs/dbraw/zinc/22/10/41/265221041.db2.gz VTLOVZWPBNPROF-UHFFFAOYSA-N -2 3 295.302 1.748 20 0 CDADHL O=C(Nc1nn[n-]n1)c1cc(Cc2ccccc2)ccc1[O-] ZINC000094155537 265221042 /nfs/dbraw/zinc/22/10/42/265221042.db2.gz VTLOVZWPBNPROF-UHFFFAOYSA-N -2 3 295.302 1.748 20 0 CDADHL CC[C@@H](CNc1nccc(C)c1-c1nnn[n-]1)C(=O)[O-] ZINC001590446205 1173410804 /nfs/dbraw/zinc/41/08/04/1173410804.db2.gz PXEDYWJTXQQGMX-QMMMGPOBSA-N -2 3 276.300 1.093 20 0 CDADHL CC[C@@H](CNc1nccc(C)c1-c1nn[n-]n1)C(=O)[O-] ZINC001590446205 1173410807 /nfs/dbraw/zinc/41/08/07/1173410807.db2.gz PXEDYWJTXQQGMX-QMMMGPOBSA-N -2 3 276.300 1.093 20 0 CDADHL O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000567693561 293842163 /nfs/dbraw/zinc/84/21/63/293842163.db2.gz WTFBSBLVQLDPDB-LJGSYFOKSA-N -2 3 291.275 1.106 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]CC(C)(C)C)cc1C(=O)[O-] ZINC000571203745 294388790 /nfs/dbraw/zinc/38/87/90/294388790.db2.gz JUOLFPJZBHKJJT-UHFFFAOYSA-N -2 3 275.326 1.611 20 0 CDADHL CO[C@H]1CCN(C(=O)c2ccc(C)cc2[O-])[C@H](C(=O)[O-])C1 ZINC000572060935 294551321 /nfs/dbraw/zinc/55/13/21/294551321.db2.gz VWIIPVULOJSTBF-JQWIXIFHSA-N -2 3 293.319 1.405 20 0 CDADHL CS[C@@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000572957395 294723289 /nfs/dbraw/zinc/72/32/89/294723289.db2.gz ADHGAOSFPYIUTQ-LURJTMIESA-N -2 3 293.366 1.316 20 0 CDADHL C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1ccco1 ZINC000574973296 295082084 /nfs/dbraw/zinc/08/20/84/295082084.db2.gz DZXVOKBXVLBFDN-SKDRFNHKSA-N -2 3 287.337 1.591 20 0 CDADHL CC(C)(C)c1nc(=NC(=O)Cc2cncc([O-])c2)s[n-]1 ZINC000582311658 324953169 /nfs/dbraw/zinc/95/31/69/324953169.db2.gz TUWXDNQMHWDFQV-UHFFFAOYSA-N -2 3 292.364 1.539 20 0 CDADHL Cc1cc(C)c(S(=O)(=O)[N-][C@H](CF)C(=O)[O-])s1 ZINC000583320423 325151412 /nfs/dbraw/zinc/15/14/12/325151412.db2.gz TVNLMAURDVXMKS-SSDOTTSWSA-N -2 3 281.330 1.066 20 0 CDADHL CC[C@@H](C(=O)[O-])N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000191407211 535438847 /nfs/dbraw/zinc/43/88/47/535438847.db2.gz XJGRCLSPYFUNLV-ZDUSSCGKSA-N -2 3 292.335 1.013 20 0 CDADHL Cc1nc(C)c(CC(=O)OCC2(CC(=O)[O-])CC2)c(=O)[n-]1 ZINC001600691554 1174566858 /nfs/dbraw/zinc/56/68/58/1174566858.db2.gz JKXKSJZDVRSZOM-UHFFFAOYSA-N -2 3 294.307 1.140 20 0 CDADHL O=C([O-])[C@@H]1CO[C@H](CCC(=O)[N-]Oc2ccccc2F)C1 ZINC001601284791 1174824468 /nfs/dbraw/zinc/82/44/68/1174824468.db2.gz DIHZJQHFVXURFU-VHSXEESVSA-N -2 3 297.282 1.506 20 0 CDADHL O=C([O-])c1ccc(CC(=O)[N-]OC2CCCC2)cc1 ZINC001601356456 1174842621 /nfs/dbraw/zinc/84/26/21/1174842621.db2.gz UAAFINZLPSNQTR-UHFFFAOYSA-N -2 3 263.293 1.918 20 0 CDADHL CCc1ccc([O-])c(C(=O)NCCSCC(=O)[O-])c1 ZINC000737268090 575930649 /nfs/dbraw/zinc/93/06/49/575930649.db2.gz OZJYADLEKOIPTE-UHFFFAOYSA-N -2 3 283.349 1.502 20 0 CDADHL CCn1c(=O)[n-]nc1SCC(=O)c1cc(C(=O)[O-])co1 ZINC000737299116 575936282 /nfs/dbraw/zinc/93/62/82/575936282.db2.gz IUWPFJVCHLTVCG-UHFFFAOYSA-N -2 3 297.292 1.270 20 0 CDADHL O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1cc(=O)[nH][n-]1 ZINC000747933903 576889742 /nfs/dbraw/zinc/88/97/42/576889742.db2.gz GMLYDGLXDLVWJP-UHFFFAOYSA-N -2 3 287.197 1.225 20 0 CDADHL COc1ccc(C(=O)N2CCC[C@H]2C(=O)[O-])c([O-])c1 ZINC000019509500 598146730 /nfs/dbraw/zinc/14/67/30/598146730.db2.gz GXXGSKQLPANXPL-JTQLQIEISA-N -2 3 265.265 1.090 20 0 CDADHL O=C([O-])C[C@@H]1CSCCN1C(=O)c1ccc(O)cc1[O-] ZINC000091128855 600670154 /nfs/dbraw/zinc/67/01/54/600670154.db2.gz QGDSYNDCXAWWBG-MRVPVSSYSA-N -2 3 297.332 1.130 20 0 CDADHL CC(C)C[C@@H](CNC(=O)c1ccc(O)cc1[O-])C(=O)[O-] ZINC000094702347 605756375 /nfs/dbraw/zinc/75/63/75/605756375.db2.gz ICJPQIQLBOEEKU-VIFPVBQESA-N -2 3 281.308 1.575 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]C[C@@H]2C=CCC2)oc1C(=O)[O-] ZINC000902988698 625733030 /nfs/dbraw/zinc/73/30/30/625733030.db2.gz UVHVIDFEBHSBGJ-SECBINFHSA-N -2 3 285.321 1.531 20 0 CDADHL O=C([O-])[C@@H]1CCCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000908662447 628321739 /nfs/dbraw/zinc/32/17/39/628321739.db2.gz MZXVZOLEKHNFBQ-NSHDSACASA-N -2 3 281.283 1.540 20 0 CDADHL CC(C)[C@@H](CO)O[N-]C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000911810696 629542318 /nfs/dbraw/zinc/54/23/18/629542318.db2.gz DDWPMRNLXXLSOR-CYBMUJFWSA-N -2 3 295.335 1.382 20 0 CDADHL COC(=O)c1cc(C(=O)OCc2ccc(C(=O)[O-])o2)c[n-]1 ZINC001606537497 1163927171 /nfs/dbraw/zinc/92/71/71/1163927171.db2.gz LGDPLOCQCDGUOP-UHFFFAOYSA-N -2 3 293.231 1.450 20 0 CDADHL Cc1oc(CN2CCC(C)(C(=O)[O-])CC2)cc1C(=O)[O-] ZINC001608049931 1164394010 /nfs/dbraw/zinc/39/40/10/1164394010.db2.gz YRCASZPGVAYUBG-UHFFFAOYSA-N -2 3 281.308 1.973 20 0 CDADHL CC(C)O[N-]C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001609101882 1164769944 /nfs/dbraw/zinc/76/99/44/1164769944.db2.gz RLSJLPSGTNNJDQ-VIFPVBQESA-N -2 3 291.311 1.090 20 0 CDADHL CC(C)O[N-]C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001609101882 1164769947 /nfs/dbraw/zinc/76/99/47/1164769947.db2.gz RLSJLPSGTNNJDQ-VIFPVBQESA-N -2 3 291.311 1.090 20 0 CDADHL O=C([O-])[C@H]1CC[C@H](C(=O)NCc2ncccc2[O-])CC1 ZINC001610805157 1165448187 /nfs/dbraw/zinc/44/81/87/1165448187.db2.gz HIRVTKHEEZVVHF-MGCOHNPYSA-N -2 3 278.308 1.294 20 0 CDADHL Nc1ccc(C(=O)N[C@@H](C(=O)[O-])C2CCCCC2)c([O-])c1 ZINC001601214227 1174792936 /nfs/dbraw/zinc/79/29/36/1174792936.db2.gz HQOZKTZJXWBHNZ-CYBMUJFWSA-N -2 3 292.335 1.738 20 0 CDADHL O=C([O-])c1ccccc1CC(=O)[N-]OCCC1CC1 ZINC001601368375 1174847375 /nfs/dbraw/zinc/84/73/75/1174847375.db2.gz AEPSZJJIOKLWHP-UHFFFAOYSA-N -2 3 263.293 1.775 20 0 CDADHL O=C([O-])C1=CC[C@@H](NC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC001601540114 1174895183 /nfs/dbraw/zinc/89/51/83/1174895183.db2.gz NNUBIJJZPYWCBP-SNVBAGLBSA-N -2 3 294.282 1.504 20 0 CDADHL C[C@@H](CN(C)c1cccc(F)c1-c1nnn[n-]1)C(=O)[O-] ZINC001603511715 1175560738 /nfs/dbraw/zinc/56/07/38/1175560738.db2.gz GCSMTSZPQDPGEU-ZETCQYMHSA-N -2 3 279.275 1.163 20 0 CDADHL C[C@@H](CN(C)c1cccc(F)c1-c1nn[n-]n1)C(=O)[O-] ZINC001603511715 1175560746 /nfs/dbraw/zinc/56/07/46/1175560746.db2.gz GCSMTSZPQDPGEU-ZETCQYMHSA-N -2 3 279.275 1.163 20 0 CDADHL CC[C@@H](C[N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000087498400 712304664 /nfs/dbraw/zinc/30/46/64/712304664.db2.gz NIQIWVYSKZMXRS-ZETCQYMHSA-N -2 3 292.744 1.124 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@H]1CC12CCCCC2 ZINC000871993286 712438234 /nfs/dbraw/zinc/43/82/34/712438234.db2.gz GLTSONLCMGKZKG-JTQLQIEISA-N -2 3 299.348 1.979 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])nc2)o1 ZINC001607821232 1164306141 /nfs/dbraw/zinc/30/61/41/1164306141.db2.gz CCDPQAJHVSYOKM-UHFFFAOYSA-N -2 3 296.304 1.160 20 0 CDADHL O=C([O-])CC1(CC(=O)[N-]OC2CCOCC2)CCCC1 ZINC001608677379 1164600743 /nfs/dbraw/zinc/60/07/43/1164600743.db2.gz QBSXRNDZACTDIJ-UHFFFAOYSA-N -2 3 285.340 1.638 20 0 CDADHL CCc1ccc([O-])c(C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)c1 ZINC001610063224 1165200935 /nfs/dbraw/zinc/20/09/35/1165200935.db2.gz TVEDVQBESOVJLQ-MWLCHTKSSA-N -2 3 277.320 1.890 20 0 CDADHL COc1cc(Nc2cc(=O)[n-]c(=S)[nH]2)cc(C(=O)[O-])c1 ZINC001213584656 896244242 /nfs/dbraw/zinc/24/42/42/896244242.db2.gz AWVFORQLOQQLLF-UHFFFAOYSA-N -2 3 293.304 1.921 20 0 CDADHL CC(C)(CNC(=O)c1cc([O-])ccc1Cl)C(=O)[O-] ZINC000232515169 901735018 /nfs/dbraw/zinc/73/50/18/901735018.db2.gz WRWZUELZDJWPFM-UHFFFAOYSA-N -2 3 271.700 1.886 20 0 CDADHL Cc1cccc(O)c1C(=O)NCCCCP(=O)([O-])[O-] ZINC001188660053 921121478 /nfs/dbraw/zinc/12/14/78/921121478.db2.gz UEMVKWMCAWTLAK-UHFFFAOYSA-N -2 3 287.252 1.388 20 0 CDADHL CCOC(=O)[C@@H]1CCC[C@H](OCCP(=O)([O-])[O-])C1 ZINC001224601033 909911105 /nfs/dbraw/zinc/91/11/05/909911105.db2.gz DDNDRDKABPZYJF-ZJUUUORDSA-N -2 3 280.257 1.303 20 0 CDADHL CCOC(=O)[C@@H]1CCC[C@@H](OCCP(=O)([O-])[O-])C1 ZINC001224601030 909913992 /nfs/dbraw/zinc/91/39/92/909913992.db2.gz DDNDRDKABPZYJF-NXEZZACHSA-N -2 3 280.257 1.303 20 0 CDADHL CCN(CCC(=O)[O-])C(=O)c1cc([O-])ccc1Cl ZINC000233451153 915007095 /nfs/dbraw/zinc/00/70/95/915007095.db2.gz NASXWOPGYGACLW-UHFFFAOYSA-N -2 3 271.700 1.982 20 0 CDADHL C[C@@H]1CCC[C@@H](C(=O)NCCCCP(=O)([O-])[O-])C1 ZINC001184516488 919189257 /nfs/dbraw/zinc/18/92/57/919189257.db2.gz ULHNBBRLSMCFTA-GHMZBOCLSA-N -2 3 277.301 1.887 20 0 CDADHL O=C(NCCP(=O)([O-])[O-])Nc1ccc(F)c(F)c1 ZINC001185107803 919423742 /nfs/dbraw/zinc/42/37/42/919423742.db2.gz GSRMPTAPMBVFQI-UHFFFAOYSA-N -2 3 280.167 1.264 20 0 CDADHL O=S(=O)([N-]c1cc([O-])c(F)c(F)c1)c1ccncc1 ZINC001190893640 922283367 /nfs/dbraw/zinc/28/33/67/922283367.db2.gz OBKGSQRPLQGRFJ-UHFFFAOYSA-N -2 3 286.259 1.866 20 0 CDADHL O=C([N-]c1noc2nccnc12)c1ccc(F)c([O-])c1F ZINC001193770938 923879064 /nfs/dbraw/zinc/87/90/64/923879064.db2.gz SQTHDLBJRZFSMI-UHFFFAOYSA-N -2 3 292.201 1.854 20 0 CDADHL CCC(CC)COC(=O)NCCP(=O)([O-])[O-] ZINC001194716902 924328954 /nfs/dbraw/zinc/32/89/54/924328954.db2.gz OEUGOWSPFQUMAC-UHFFFAOYSA-N -2 3 253.235 1.327 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1cccc2cc[nH]c21 ZINC001201326381 926265970 /nfs/dbraw/zinc/26/59/70/926265970.db2.gz QEWRXTAXEZWEHG-UHFFFAOYSA-N -2 3 296.263 1.856 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1ccc2cc[nH]c2c1 ZINC001149218658 937162168 /nfs/dbraw/zinc/16/21/68/937162168.db2.gz ZFRKSYDHAYAMDJ-UHFFFAOYSA-N -2 3 296.263 1.856 20 0 CDADHL O=P([O-])([O-])c1ccc(NCc2ncccc2[O-])cc1 ZINC001169733070 928398404 /nfs/dbraw/zinc/39/84/04/928398404.db2.gz RPONREUCAGOIDZ-UHFFFAOYSA-N -3 3 280.220 1.202 20 0 CDADHL O=c1cc(-c2ccsc2)[n-]n1-c1cc(=O)[n-]cn1 ZINC001245948192 930833701 /nfs/dbraw/zinc/83/37/01/930833701.db2.gz ADIMTVXDKZMJBL-UHFFFAOYSA-N -2 3 260.278 1.802 20 0 CDADHL O=C([O-])c1cnc(F)c(Nc2cc(=O)[n-]c(=S)[nH]2)c1 ZINC001215123073 940859462 /nfs/dbraw/zinc/85/94/62/940859462.db2.gz XFWQIRGVFWDULK-UHFFFAOYSA-N -2 3 282.256 1.447 20 0 CDADHL O=P([O-])([O-])CCOC[C@@H]1CCC(c2ccccc2)=NO1 ZINC001224601454 941774431 /nfs/dbraw/zinc/77/44/31/941774431.db2.gz HHHGOWBOCDCMDM-LBPRGKRZSA-N -2 3 299.263 1.764 20 0 CDADHL C[C@H](COc1nc(=O)[n-]c(=O)[n-]1)Oc1ccccc1 ZINC001227570452 942190839 /nfs/dbraw/zinc/19/08/39/942190839.db2.gz KZLUPXPTOGZSES-MRVPVSSYSA-N -2 3 263.253 1.129 20 0 CDADHL O=S(=O)([N-]c1cc([O-])c(F)cc1F)c1cn[nH]c1 ZINC001260960150 945925662 /nfs/dbraw/zinc/92/56/62/945925662.db2.gz BMHYSNOHODJQBP-UHFFFAOYSA-N -2 3 275.236 1.194 20 0 CDADHL O=S(=O)([N-]C1=CC=C[CH]1)c1ccc(Cl)c2nonc21 ZINC001261074624 945953883 /nfs/dbraw/zinc/95/38/83/945953883.db2.gz YHYMPILIKNHRFJ-UHFFFAOYSA-N -2 3 296.715 1.812 20 0 CDADHL CCN(C(=O)c1cc(=O)c2ccccc2[n-]1)[C@@H](C)C(=O)[O-] ZINC001589706656 950296179 /nfs/dbraw/zinc/29/61/79/950296179.db2.gz XZBUHRFUDVABHI-VIFPVBQESA-N -2 3 288.303 1.463 20 0 CDADHL COc1cccc([O-])c1C(=O)NC[C@H](C(=O)[O-])C(C)C ZINC000404928428 953384511 /nfs/dbraw/zinc/38/45/11/953384511.db2.gz KMGKUJLZXXVTHH-VIFPVBQESA-N -2 3 281.308 1.487 20 0 CDADHL O=C([O-])c1cc(C(=O)Nc2cc(F)ccc2[O-])[nH]n1 ZINC001594801754 953743779 /nfs/dbraw/zinc/74/37/79/953743779.db2.gz LUJUYBCSSAIXHV-UHFFFAOYSA-N -2 3 265.200 1.205 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCCF)o1 ZINC000310220562 963392641 /nfs/dbraw/zinc/39/26/41/963392641.db2.gz FXOAAUXLUGXWHG-UHFFFAOYSA-N -2 3 265.262 1.006 20 0 CDADHL CSCCO[N-]C(=O)Cc1ccccc1C(=O)[O-] ZINC001604958775 972543065 /nfs/dbraw/zinc/54/30/65/972543065.db2.gz LNMHLFZDGHCGRH-UHFFFAOYSA-N -2 3 269.322 1.338 20 0 CDADHL O=C([O-])C[C@@H](CNC(=O)c1c([O-])cccc1O)C1CC1 ZINC000690515122 976313890 /nfs/dbraw/zinc/31/38/90/976313890.db2.gz RCMRVCXVKCRMRI-VIFPVBQESA-N -2 3 279.292 1.329 20 0 CDADHL CCOc1cccc(CCC(=O)[N-]OCCCC(=O)[O-])c1 ZINC001597153766 986939203 /nfs/dbraw/zinc/93/92/03/986939203.db2.gz OAMMMISNKRVCMF-UHFFFAOYSA-N -2 3 295.335 1.931 20 0 CDADHL C[C@@H](OC(=O)c1cnn[n-]1)c1ccc(C(=O)[O-])o1 ZINC001593554665 995637593 /nfs/dbraw/zinc/63/75/93/995637593.db2.gz VYXXHJNQLYHPKX-RXMQYKEDSA-N -2 3 251.198 1.014 20 0 CDADHL C[C@@H](OC(=O)c1c[n-]nn1)c1ccc(C(=O)[O-])o1 ZINC001593554665 995637597 /nfs/dbraw/zinc/63/75/97/995637597.db2.gz VYXXHJNQLYHPKX-RXMQYKEDSA-N -2 3 251.198 1.014 20 0 CDADHL CC[C@@](C)([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000094221026 342063508 /nfs/dbraw/zinc/06/35/08/342063508.db2.gz LRVYAJDSLNULTC-SECBINFHSA-N -2 3 297.785 1.933 20 0 CDADHL C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000133166537 342069794 /nfs/dbraw/zinc/06/97/94/342069794.db2.gz ZSNLUSWYMFWSER-RITPCOANSA-N -2 3 297.785 1.789 20 0 CDADHL COc1ccc(C(=O)N2CCC(CC(=O)[O-])CC2)c([O-])c1 ZINC000093678864 345367001 /nfs/dbraw/zinc/36/70/01/345367001.db2.gz JTORGSAGAZUXIG-UHFFFAOYSA-N -2 3 293.319 1.728 20 0 CDADHL CC(C)(CC[N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000311539321 535040292 /nfs/dbraw/zinc/04/02/92/535040292.db2.gz IREHDIAOWJCPEG-UHFFFAOYSA-N -2 3 289.328 1.605 20 0 CDADHL O=C([O-])c1cccc([N-]S(=O)(=O)C[C@H]2CCCCO2)c1 ZINC000264649941 363116374 /nfs/dbraw/zinc/11/63/74/363116374.db2.gz ORJMWJKIMPKOLX-GFCCVEGCSA-N -2 3 299.348 1.696 20 0 CDADHL Cc1ccc(C(=O)N(C)Cc2n[n-]c(=O)o2)c([O-])c1 ZINC000673478920 482753205 /nfs/dbraw/zinc/75/32/05/482753205.db2.gz HLKOWTSTQWVGDF-UHFFFAOYSA-N -2 3 263.253 1.061 20 0 CDADHL CC[C@@H](C[N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000083602817 538850608 /nfs/dbraw/zinc/85/06/08/538850608.db2.gz KGWAJPCJJHPULK-ZETCQYMHSA-N -2 3 263.340 1.137 20 0 CDADHL Cc1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC000097058261 358748809 /nfs/dbraw/zinc/74/88/09/358748809.db2.gz ROMYWHFWJFXDCN-ZJUUUORDSA-N -2 3 263.293 1.684 20 0 CDADHL O=c1[n-]nc(C2CCN(Cc3ncccc3[O-])CC2)o1 ZINC000565162850 360559994 /nfs/dbraw/zinc/55/99/94/360559994.db2.gz IRCQURMRKVYJPJ-UHFFFAOYSA-N -2 3 276.296 1.255 20 0 CDADHL O=C(NC1(c2nnn[n-]2)CC1)c1ccc2c(c1[O-])CCCC2 ZINC000436994500 361634090 /nfs/dbraw/zinc/63/40/90/361634090.db2.gz DEJFULRXXRTCHT-UHFFFAOYSA-N -2 3 299.334 1.203 20 0 CDADHL O=C(NC1(c2nn[n-]n2)CC1)c1ccc2c(c1[O-])CCCC2 ZINC000436994500 361634098 /nfs/dbraw/zinc/63/40/98/361634098.db2.gz DEJFULRXXRTCHT-UHFFFAOYSA-N -2 3 299.334 1.203 20 0 CDADHL O=C([O-])CC[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000034936903 364180035 /nfs/dbraw/zinc/18/00/35/364180035.db2.gz HPJBIVZTCKTPHX-UHFFFAOYSA-N -2 3 298.147 1.746 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]CC(=O)[O-])sc1Cl ZINC000231806403 367555580 /nfs/dbraw/zinc/55/55/80/367555580.db2.gz WRXCNMWWUPNKAA-UHFFFAOYSA-N -2 3 269.731 1.073 20 0 CDADHL COc1cccc(C(=O)N2CCC[C@H](C(=O)[O-])[C@@H]2C)c1[O-] ZINC000263375483 370542387 /nfs/dbraw/zinc/54/23/87/370542387.db2.gz WMRRMWZABXAMFU-UWVGGRQHSA-N -2 3 293.319 1.726 20 0 CDADHL Cc1nc(C)c(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])s1 ZINC000584445982 373748156 /nfs/dbraw/zinc/74/81/56/373748156.db2.gz SVWJOLUCYINDPF-UHFFFAOYSA-N -2 3 292.382 1.292 20 0 CDADHL Cc1cc(=O)[n-]c([C@@H](C)N2CC[C@@](C)(C(=O)[O-])C2)n1 ZINC000568074054 392356425 /nfs/dbraw/zinc/35/64/25/392356425.db2.gz VFRPAYOUDYOVOR-NOZJJQNGSA-N -2 3 265.313 1.348 20 0 CDADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)C2CC2)cc1C(=O)[O-] ZINC000645951766 393427629 /nfs/dbraw/zinc/42/76/29/393427629.db2.gz MYEMHNRJQMWVKE-LURJTMIESA-N -2 3 273.310 1.363 20 0 CDADHL COc1ccc([O-])c(C(=O)N(C[C@H](C)C(=O)[O-])C2CC2)c1 ZINC000262184938 149030668 /nfs/dbraw/zinc/03/06/68/149030668.db2.gz MVWLFCUCDGASRB-VIFPVBQESA-N -2 3 293.319 1.726 20 0 CDADHL Cc1nc(C=Cc2cnn(C)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000349103171 154051755 /nfs/dbraw/zinc/05/17/55/154051755.db2.gz BWHFBLFYRHULIO-ONEGZZNKSA-N -2 3 274.280 1.022 20 0 CDADHL COc1ccc([O-])c(C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)c1 ZINC000659230432 413626909 /nfs/dbraw/zinc/62/69/09/413626909.db2.gz LTXJJWUNDVMMPA-DTORHVGOSA-N -2 3 279.292 1.336 20 0 CDADHL O=C([O-])[C@@H](C(=O)Nc1cc(F)ccc1[O-])C1CC1 ZINC000663059248 413873020 /nfs/dbraw/zinc/87/30/20/413873020.db2.gz CUOTWTSFCADUOK-SNVBAGLBSA-N -2 3 253.229 1.581 20 0 CDADHL C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000037418149 173195352 /nfs/dbraw/zinc/19/53/52/173195352.db2.gz YCDDQPMLGBWCON-RXMQYKEDSA-N -2 3 281.692 1.231 20 0 CDADHL O=C([O-])c1csc(S(=O)(=O)[N-]CC2=CCCC2)c1 ZINC000663442580 414257315 /nfs/dbraw/zinc/25/73/15/414257315.db2.gz CBHFVOFXSLPMBX-UHFFFAOYSA-N -2 3 287.362 1.835 20 0 CDADHL COc1ccc(C(=O)Nc2ncccc2[O-])c([O-])c1 ZINC000039073902 174162658 /nfs/dbraw/zinc/16/26/58/174162658.db2.gz DIQYCWJMOZGXPG-UHFFFAOYSA-N -2 3 260.249 1.754 20 0 CDADHL CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1)C(=O)[O-] ZINC000071494047 176191212 /nfs/dbraw/zinc/19/12/12/176191212.db2.gz HVSREUVWJOBNSO-VIFPVBQESA-N -2 3 292.744 1.123 20 0 CDADHL CCc1cc(=O)[n-]c(S[C@@H](C)c2nc(C)cc(=O)[n-]2)n1 ZINC000188082060 424018278 /nfs/dbraw/zinc/01/82/78/424018278.db2.gz YYQWSVVLWHTPFI-QMMMGPOBSA-N -2 3 292.364 1.990 20 0 CDADHL O=C([O-])[C@H]1CCCN(C(=O)N=c2cc3ccccn3[n-]2)C1 ZINC000519118973 265324781 /nfs/dbraw/zinc/32/47/81/265324781.db2.gz WBLAHCIIINKVDU-JTQLQIEISA-N -2 3 288.307 1.085 20 0 CDADHL Cc1ccc(C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)c([O-])c1 ZINC000564979943 293478479 /nfs/dbraw/zinc/47/84/79/293478479.db2.gz YCQWFNNJWGSNED-ZYHUDNBSSA-N -2 3 277.320 1.883 20 0 CDADHL COc1ccc([O-])c(C(=O)N2CCC[C@]2(C)C(=O)[O-])c1 ZINC000079481798 295165158 /nfs/dbraw/zinc/16/51/58/295165158.db2.gz MLYDLGIMNDMIRI-CQSZACIVSA-N -2 3 279.292 1.480 20 0 CDADHL COc1cccc(C(=O)NC2(CC(=O)[O-])CCC2)c1[O-] ZINC000094290279 482770115 /nfs/dbraw/zinc/77/01/15/482770115.db2.gz FTHOJNKTVNUAMV-UHFFFAOYSA-N -2 3 279.292 1.528 20 0 CDADHL Cc1ccc([O-])c(C(=O)NC[C@@H](C(=O)[O-])C(C)C)c1 ZINC000087479423 482859230 /nfs/dbraw/zinc/85/92/30/482859230.db2.gz DANPAEQTMMRGRI-LLVKDONJSA-N -2 3 265.309 1.787 20 0 CDADHL COc1ccc(OC)c([C@H](C)OCCP(=O)([O-])[O-])c1 ZINC001224601257 1160779383 /nfs/dbraw/zinc/77/93/83/1160779383.db2.gz FLXCCIRRNLIBEJ-VIFPVBQESA-N -2 3 290.252 1.959 20 0 CDADHL Cc1ccc([O-])c(C(=O)NCC2(C(=O)[O-])CCC2)c1 ZINC000138527154 538431255 /nfs/dbraw/zinc/43/12/55/538431255.db2.gz DUZQABGYIUMCGO-UHFFFAOYSA-N -2 3 263.293 1.685 20 0 CDADHL O=C([O-])[C@H](CCF)[N-]C(=O)C(F)(F)c1nccs1 ZINC001601645531 1174926241 /nfs/dbraw/zinc/92/62/41/1174926241.db2.gz RWGVPDWJBQRXRT-YFKPBYRVSA-N -2 3 282.243 1.164 20 0 CDADHL CC(C)C[C@H](NC(=O)[O-])C(=O)NCc1ccc([O-])c(F)c1 ZINC000736417563 575653038 /nfs/dbraw/zinc/65/30/38/575653038.db2.gz WAOGWLAEFUGPSP-NSHDSACASA-N -2 3 298.314 1.830 20 0 CDADHL CN(CCCC(=O)Nc1n[n-]c(-c2ccco2)n1)C(=O)[O-] ZINC000737434176 575963817 /nfs/dbraw/zinc/96/38/17/575963817.db2.gz WUSJOMGNSAZKMZ-UHFFFAOYSA-N -2 3 293.283 1.393 20 0 CDADHL CN(CCCC(=O)Nc1nnc(-c2ccco2)[n-]1)C(=O)[O-] ZINC000737434176 575963819 /nfs/dbraw/zinc/96/38/19/575963819.db2.gz WUSJOMGNSAZKMZ-UHFFFAOYSA-N -2 3 293.283 1.393 20 0 CDADHL CN(CCCC(=O)Nc1nc(-c2ccco2)n[n-]1)C(=O)[O-] ZINC000737434176 575963820 /nfs/dbraw/zinc/96/38/20/575963820.db2.gz WUSJOMGNSAZKMZ-UHFFFAOYSA-N -2 3 293.283 1.393 20 0 CDADHL Cc1[n-]ncc1S(=O)(=O)Oc1cccc(C(=O)[O-])c1 ZINC000738249514 576053677 /nfs/dbraw/zinc/05/36/77/576053677.db2.gz UXLHYBJZVIERRH-UHFFFAOYSA-N -2 3 282.277 1.184 20 0 CDADHL Cc1ccc(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)o1 ZINC000738519563 576085535 /nfs/dbraw/zinc/08/55/35/576085535.db2.gz HUGGWIPUXTYBJN-UHFFFAOYSA-N -2 3 281.293 1.709 20 0 CDADHL O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1n[n-]c(-c2cccs2)n1 ZINC000739552623 576252711 /nfs/dbraw/zinc/25/27/11/576252711.db2.gz JHGTWNAYOHFINT-NTSWFWBYSA-N -2 3 278.293 1.192 20 0 CDADHL Cc1nc(C)c(CC(=O)O[C@H](CC(C)C)C(=O)[O-])c(=O)[n-]1 ZINC000832994995 600949787 /nfs/dbraw/zinc/94/97/87/600949787.db2.gz TXMGBLUHOMFTST-LLVKDONJSA-N -2 3 296.323 1.384 20 0 CDADHL CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000388614073 601809886 /nfs/dbraw/zinc/80/98/86/601809886.db2.gz FAOHVGZNOIZSBY-RKDXNWHRSA-N -2 3 287.337 1.835 20 0 CDADHL O=C([O-])c1cccc(CNC(=O)c2ccc(O)cc2[O-])c1 ZINC000037716438 601922760 /nfs/dbraw/zinc/92/27/60/601922760.db2.gz ATALNDLWEQVUFS-UHFFFAOYSA-N -2 3 287.271 1.726 20 0 CDADHL Cc1cc(=O)[n-]c(CSc2ncccc2C(=O)[O-])n1 ZINC000700432169 602310661 /nfs/dbraw/zinc/31/06/61/602310661.db2.gz SSGIDODRVDFPLV-UHFFFAOYSA-N -2 3 277.305 1.876 20 0 CDADHL CC(C)Cn1[n-]c(CC(=O)[N-]OC/C=C\Cl)cc1=O ZINC000936059026 617704109 /nfs/dbraw/zinc/70/41/09/617704109.db2.gz KQHLBOOUUBGRJX-ARJAWSKDSA-N -2 3 287.747 1.175 20 0 CDADHL O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000910137206 628876700 /nfs/dbraw/zinc/87/67/00/628876700.db2.gz QKGSEGBDSXUDKV-PWSUYJOCSA-N -2 3 295.310 1.833 20 0 CDADHL O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1cccc([O-])c1F ZINC000911431560 629281440 /nfs/dbraw/zinc/28/14/40/629281440.db2.gz YXBOASAJJATGFK-NKWVEPMBSA-N -2 3 253.229 1.581 20 0 CDADHL CCOc1nc(NC(=O)c2cccc(CC(=O)[O-])c2)n[n-]1 ZINC001605719446 1163650398 /nfs/dbraw/zinc/65/03/98/1163650398.db2.gz OWUPKFPTOHAVRG-UHFFFAOYSA-N -2 3 290.279 1.083 20 0 CDADHL CCOc1n[n-]c(NC(=O)c2cccc(CC(=O)[O-])c2)n1 ZINC001605719446 1163650401 /nfs/dbraw/zinc/65/04/01/1163650401.db2.gz OWUPKFPTOHAVRG-UHFFFAOYSA-N -2 3 290.279 1.083 20 0 CDADHL CCOc1nnc(NC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)[n-]1 ZINC001605719049 1163650569 /nfs/dbraw/zinc/65/05/69/1163650569.db2.gz HVYNWZPOYQEVLP-UHFFFAOYSA-N -2 3 293.283 1.099 20 0 CDADHL CCOc1nc(NC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)n[n-]1 ZINC001605719049 1163650571 /nfs/dbraw/zinc/65/05/71/1163650571.db2.gz HVYNWZPOYQEVLP-UHFFFAOYSA-N -2 3 293.283 1.099 20 0 CDADHL CCOc1n[n-]c(NC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)n1 ZINC001605719049 1163650575 /nfs/dbraw/zinc/65/05/75/1163650575.db2.gz HVYNWZPOYQEVLP-UHFFFAOYSA-N -2 3 293.283 1.099 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]C2CC3(CCC3)C2)oc1C(=O)[O-] ZINC001607705699 1164276769 /nfs/dbraw/zinc/27/67/69/1164276769.db2.gz DKSNGMLZPIJDCM-UHFFFAOYSA-N -2 3 299.348 1.897 20 0 CDADHL O=C([O-])c1cnoc1COC(=O)c1ccc([O-])cc1 ZINC001609025845 1164732500 /nfs/dbraw/zinc/73/25/00/1164732500.db2.gz YMIUITOOZKVZNI-UHFFFAOYSA-N -2 3 263.205 1.435 20 0 CDADHL CN(C(=O)c1ccc(-c2nn[n-]n2)c([O-])c1)c1cccnc1 ZINC001609262607 1164871624 /nfs/dbraw/zinc/87/16/24/1164871624.db2.gz FFSXUKOMRURGOW-UHFFFAOYSA-N -2 3 296.290 1.244 20 0 CDADHL CC[C@H]1CN(C(=O)c2c(C)cccc2[O-])C[C@]1(F)C(=O)[O-] ZINC001573824901 1170790392 /nfs/dbraw/zinc/79/03/92/1170790392.db2.gz VDYZWZRUOOYTJD-ZUZCIYMTSA-N -2 3 295.310 1.976 20 0 CDADHL O=C([O-])c1c[nH]c(NC(=O)c2cc([O-])ccc2Cl)n1 ZINC001574416889 1170976462 /nfs/dbraw/zinc/97/64/62/1170976462.db2.gz BKOUQDWSMKHMKO-UHFFFAOYSA-N -2 3 281.655 1.719 20 0 CDADHL Cc1[n-][nH]c(=O)c1Sc1ccc(C)cc1-c1nnn[n-]1 ZINC001590161485 1173278323 /nfs/dbraw/zinc/27/83/23/1173278323.db2.gz NNGHKIBBSFEZBN-JTQLQIEISA-N -2 3 288.336 1.142 20 0 CDADHL Cc1[n-][nH]c(=O)c1Sc1ccc(C)cc1-c1nn[n-]n1 ZINC001590161485 1173278329 /nfs/dbraw/zinc/27/83/29/1173278329.db2.gz NNGHKIBBSFEZBN-JTQLQIEISA-N -2 3 288.336 1.142 20 0 CDADHL CCC1(C(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)CCC1 ZINC001590488885 1173430757 /nfs/dbraw/zinc/43/07/57/1173430757.db2.gz PNGQKHRLPLOZLQ-UHFFFAOYSA-N -2 3 287.323 1.857 20 0 CDADHL CCC1(C(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)CCC1 ZINC001590488885 1173430760 /nfs/dbraw/zinc/43/07/60/1173430760.db2.gz PNGQKHRLPLOZLQ-UHFFFAOYSA-N -2 3 287.323 1.857 20 0 CDADHL O=C([O-])[C@@H](CNc1ncccc1-c1nnn[n-]1)C1CCC1 ZINC001593276599 1174046905 /nfs/dbraw/zinc/04/69/05/1174046905.db2.gz PMLXJDAQJXQTGY-JTQLQIEISA-N -2 3 288.311 1.175 20 0 CDADHL O=C([O-])[C@@H](CNc1ncccc1-c1nn[n-]n1)C1CCC1 ZINC001593276599 1174046912 /nfs/dbraw/zinc/04/69/12/1174046912.db2.gz PMLXJDAQJXQTGY-JTQLQIEISA-N -2 3 288.311 1.175 20 0 CDADHL O=C([O-])[C@@H]1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001593279430 1174048786 /nfs/dbraw/zinc/04/87/86/1174048786.db2.gz KWTNQDIRIBGMGB-SVRRBLITSA-N -2 3 292.274 1.066 20 0 CDADHL O=C([O-])[C@@H]1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001593279430 1174048789 /nfs/dbraw/zinc/04/87/89/1174048789.db2.gz KWTNQDIRIBGMGB-SVRRBLITSA-N -2 3 292.274 1.066 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]CCCCF)oc1C(=O)[O-] ZINC001600298319 1174440007 /nfs/dbraw/zinc/44/00/07/1174440007.db2.gz AOSSBPLICOMWEA-UHFFFAOYSA-N -2 3 279.289 1.314 20 0 CDADHL Nc1ccc(C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])c([O-])c1 ZINC001601214876 1174793303 /nfs/dbraw/zinc/79/33/03/1174793303.db2.gz NWPMOWXENBDXOS-ZETCQYMHSA-N -2 3 292.213 1.110 20 0 CDADHL O=C([O-])/C=C/c1ccc(C(=O)[N-]c2nncs2)o1 ZINC001601878130 1175046588 /nfs/dbraw/zinc/04/65/88/1175046588.db2.gz YQZJSGJTMRJWED-DUXPYHPUSA-N -2 3 265.250 1.481 20 0 CDADHL O=C([O-])Cc1ccc(C[N-]C(=O)C(F)(F)C(F)F)cc1 ZINC001602118695 1175134809 /nfs/dbraw/zinc/13/48/09/1175134809.db2.gz LUYUBMKSGXDYFD-UHFFFAOYSA-N -2 3 293.216 1.830 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CCC2)o1 ZINC001602401287 1175232749 /nfs/dbraw/zinc/23/27/49/1175232749.db2.gz CCGMPJDSLIJIFY-DTWKUNHWSA-N -2 3 285.321 1.445 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1cccc2ccnn21 ZINC001153566644 1164561408 /nfs/dbraw/zinc/56/14/08/1164561408.db2.gz PWQDMRCRFIVLBB-UHFFFAOYSA-N -2 3 297.251 1.022 20 0 CDADHL O=C([O-])c1nscc1S(=O)(=O)[N-]Cc1ccccc1 ZINC001609004969 1164719195 /nfs/dbraw/zinc/71/91/95/1164719195.db2.gz FYZMEZJVNPYXJA-UHFFFAOYSA-N -2 3 298.345 1.320 20 0 CDADHL Cc1cnc(C[N-]S(=O)(=O)c2ccccc2C(=O)[O-])o1 ZINC001610539836 1168000209 /nfs/dbraw/zinc/00/02/09/1168000209.db2.gz SFNZTOOEKWJHLC-UHFFFAOYSA-N -2 3 296.304 1.160 20 0 CDADHL COCC[C@H](NC(=O)c1cc([O-])ccc1Cl)C(=O)[O-] ZINC000234692537 901898857 /nfs/dbraw/zinc/89/88/57/901898857.db2.gz DDFPAUCJAZHAJH-JTQLQIEISA-N -2 3 287.699 1.265 20 0 CDADHL O=C([O-])c1ccccc1CC(=O)[N-]OCC(F)(F)F ZINC000228052953 911821397 /nfs/dbraw/zinc/82/13/97/911821397.db2.gz NUXMKJNIDSOSHH-UHFFFAOYSA-N -2 3 277.198 1.537 20 0 CDADHL O=C([O-])C(F)(F)C(F)(F)C(=O)[N-]C[C@@H]1CCCCO1 ZINC001180176221 916170068 /nfs/dbraw/zinc/17/00/68/916170068.db2.gz RLTFTZIUQVSZCA-LURJTMIESA-N -2 3 287.209 1.027 20 0 CDADHL O=C([O-])C(F)(F)C(F)(F)C(=O)[N-][C@H]1C[C@H]1C1CC1 ZINC001180179654 916177193 /nfs/dbraw/zinc/17/71/93/916177193.db2.gz ICJIGPNYKLNOTG-WDSKDSINSA-N -2 3 269.194 1.256 20 0 CDADHL CC1(CC(=O)NCCCCP(=O)([O-])[O-])CCOCC1 ZINC001183844633 918711260 /nfs/dbraw/zinc/71/12/60/918711260.db2.gz JIVNBDSEOPGRRY-UHFFFAOYSA-N -2 3 293.300 1.267 20 0 CDADHL Cc1ccc([N-]S(=O)(=O)c2c[nH]cn2)c(Cl)c1[O-] ZINC001187761575 920653136 /nfs/dbraw/zinc/65/31/36/920653136.db2.gz SYPJJPMGWGUZCC-UHFFFAOYSA-N -2 3 287.728 1.878 20 0 CDADHL Cc1c[nH]c(C)c1C(=O)NCCCCP(=O)([O-])[O-] ZINC001193366858 923635898 /nfs/dbraw/zinc/63/58/98/923635898.db2.gz DNNMYXYVIFSXJI-UHFFFAOYSA-N -2 3 274.257 1.319 20 0 CDADHL O=S(=O)([N-][C@H]1[CH]CC=C1)c1cccc(Cl)n1 ZINC001198262848 925367342 /nfs/dbraw/zinc/36/73/42/925367342.db2.gz FBAOBAKONSGDNN-MRVPVSSYSA-N -2 3 257.722 1.546 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H]2CC[C@H]3C[C@H]32)o1 ZINC000716980807 925424981 /nfs/dbraw/zinc/42/49/81/925424981.db2.gz RJYFAQVBEQJUBR-GUBZILKMSA-N -2 3 299.348 1.692 20 0 CDADHL CC[C@H](C)CO[N-]C(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC000820279153 930899447 /nfs/dbraw/zinc/89/94/47/930899447.db2.gz JIAANSAVOBBLIH-NSHDSACASA-N -2 3 283.372 1.469 20 0 CDADHL CCCNC(=O)[N-][N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000049275364 934415281 /nfs/dbraw/zinc/41/52/81/934415281.db2.gz MSYUNCSKMHDCGG-UHFFFAOYSA-N -2 3 291.760 1.243 20 0 CDADHL O=C([N-]Cc1ccc(-c2nn[n-]n2)cc1)C(F)(F)F ZINC000095174931 934956828 /nfs/dbraw/zinc/95/68/28/934956828.db2.gz YMGYXNRILHHURO-UHFFFAOYSA-N -2 3 271.202 1.045 20 0 CDADHL O=C([O-])C1(NC(=O)c2cc([O-])ccc2Cl)CCC1 ZINC000236415874 939043915 /nfs/dbraw/zinc/04/39/15/939043915.db2.gz ORBYERBHVSPCIZ-UHFFFAOYSA-N -2 3 269.684 1.783 20 0 CDADHL O=P([O-])([O-])CCCCOC[C@H]1Cc2ccccc2O1 ZINC001225019866 941814753 /nfs/dbraw/zinc/81/47/53/941814753.db2.gz BKCFPUSGTWEAJP-GFCCVEGCSA-N -2 3 286.264 1.965 20 0 CDADHL C[C@@H]1C[C@@H](Oc2nc(=O)[n-]c(=O)[n-]2)CC(C)(C)C1 ZINC001227569227 942190690 /nfs/dbraw/zinc/19/06/90/942190690.db2.gz VWADNNGZZIMZOM-HTQZYQBOSA-N -2 3 253.302 1.876 20 0 CDADHL O=c1nc2cn[n-]c2c(O[C@H](c2cccnc2)C2CC2)[n-]1 ZINC001233938139 943695551 /nfs/dbraw/zinc/69/55/51/943695551.db2.gz AQCKELXNISIEHA-LBPRGKRZSA-N -2 3 283.291 1.571 20 0 CDADHL CCCC(CCC)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233939752 943696935 /nfs/dbraw/zinc/69/69/35/943696935.db2.gz OBHKSTFTZOMPFR-UHFFFAOYSA-N -2 3 250.302 1.994 20 0 CDADHL O=C(N=c1[n-]cnn1-c1ccccc1)c1cccc(F)c1[O-] ZINC001265741383 944485859 /nfs/dbraw/zinc/48/58/59/944485859.db2.gz PSXZICQGQLMGAR-UHFFFAOYSA-N -2 3 298.277 1.786 20 0 CDADHL O=S(=O)([N-][C@H]1[CH]CC=C1)c1ccc(Cl)c2nonc21 ZINC001261075019 945953812 /nfs/dbraw/zinc/95/38/12/945953812.db2.gz JQJHTZLPICGCKT-SSDOTTSWSA-N -2 3 298.731 1.687 20 0 CDADHL COc1cc(C(=O)[O-])cc(-c2cncc(-c3nnn[n-]3)c2)c1 ZINC001244170567 947335108 /nfs/dbraw/zinc/33/51/08/947335108.db2.gz ALKIQFYWORZRKF-UHFFFAOYSA-N -2 3 297.274 1.636 20 0 CDADHL COc1cc(C(=O)[O-])cc(-c2cncc(-c3nn[n-]n3)c2)c1 ZINC001244170567 947335125 /nfs/dbraw/zinc/33/51/25/947335125.db2.gz ALKIQFYWORZRKF-UHFFFAOYSA-N -2 3 297.274 1.636 20 0 CDADHL O=C([O-])CCCCC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001595034793 951393154 /nfs/dbraw/zinc/39/31/54/951393154.db2.gz OLRUBIQDZOOHGM-UHFFFAOYSA-N -2 3 277.280 1.852 20 0 CDADHL Cc1ccc(F)c(C(=O)NCc2nc([O-])cc(=O)[n-]2)c1F ZINC001363149772 971926640 /nfs/dbraw/zinc/92/66/40/971926640.db2.gz JTEGNQTWHBMCIB-UHFFFAOYSA-N -2 3 295.245 1.404 20 0 CDADHL CCc1ccc([O-])c(C(=O)N(OC)[C@H](C)C(=O)[O-])c1 ZINC001593639143 953633231 /nfs/dbraw/zinc/63/32/31/953633231.db2.gz USXJFOWUAHCKAS-MRVPVSSYSA-N -2 3 267.281 1.431 20 0 CDADHL CN(CCCC(=O)[O-])C(=O)c1cc2c(cc1[O-])OCO2 ZINC001593746052 954386545 /nfs/dbraw/zinc/38/65/45/954386545.db2.gz DMUXYCXCOCZIKK-UHFFFAOYSA-N -2 3 281.264 1.058 20 0 CDADHL O=C([O-])[C@@H](CC(F)F)NC(=O)c1ccccc1[O-] ZINC000385865235 972019426 /nfs/dbraw/zinc/01/94/26/972019426.db2.gz XNNOLDDYWUEUPF-SSDOTTSWSA-N -2 3 259.208 1.230 20 0 CDADHL CC(C)(CS(=O)(=O)[N-]c1ccc(F)cc1F)C(=O)[O-] ZINC000019984364 957124995 /nfs/dbraw/zinc/12/49/95/957124995.db2.gz IQSRICPRHMEQCV-UHFFFAOYSA-N -2 3 293.291 1.817 20 0 CDADHL O=C([O-])c1c[nH]nc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC001574788387 957795562 /nfs/dbraw/zinc/79/55/62/957795562.db2.gz QHXZTCHJASGSDW-UHFFFAOYSA-N -2 3 298.258 1.202 20 0 CDADHL CC(C)OCCO[N-]C(=O)C1(CC(=O)[O-])CCC1 ZINC001588935437 962495417 /nfs/dbraw/zinc/49/54/17/962495417.db2.gz CKHJIEQFBCFMQM-UHFFFAOYSA-N -2 3 259.302 1.104 20 0 CDADHL CCc1cc(=O)[n-]c(CS[C@@H](CC)C(=O)[O-])n1 ZINC001610423658 970742537 /nfs/dbraw/zinc/74/25/37/970742537.db2.gz ZFEXNWYSBYCGKX-QMMMGPOBSA-N -2 3 256.327 1.841 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@@H]2CCSC2)c1 ZINC000694156849 976671667 /nfs/dbraw/zinc/67/16/67/976671667.db2.gz SSWZJABYJRWOBK-ZETCQYMHSA-N -2 3 291.350 1.009 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H](C2CC2)C2CCC2)c1 ZINC000694175902 976676467 /nfs/dbraw/zinc/67/64/67/976676467.db2.gz VKBOQWYEZJIBLH-GFCCVEGCSA-N -2 3 299.348 1.835 20 0 CDADHL CC(F)(F)C(=O)[N-]Cc1ccc(Cl)c(C(=O)[O-])n1 ZINC001592934154 979990313 /nfs/dbraw/zinc/99/03/13/979990313.db2.gz FFWKWKQRLXRMCG-UHFFFAOYSA-N -2 3 278.642 1.705 20 0 CDADHL C[C@H]1CN(Cc2c(F)ccc([O-])c2F)C[C@@H](C(=O)[O-])O1 ZINC001599928479 985254683 /nfs/dbraw/zinc/25/46/83/985254683.db2.gz OCSLSOBRZOOYCN-CPCISQLKSA-N -2 3 287.262 1.344 20 0 CDADHL C[C@H]1CN(Cc2ccc([O-])c(F)c2)C[C@@H](C(=O)[O-])O1 ZINC001599929361 985279752 /nfs/dbraw/zinc/27/97/52/985279752.db2.gz MZCAFFWOXHTRSF-UFBFGSQYSA-N -2 3 269.272 1.205 20 0 CDADHL COc1ccccc1C(=O)C(=O)[N-]c1cc(C(=O)[O-])no1 ZINC001599696059 991150899 /nfs/dbraw/zinc/15/08/99/991150899.db2.gz OFNDLWYUOCAKDX-UHFFFAOYSA-N -2 3 290.231 1.203 20 0 CDADHL COC(=O)c1ccc(C(=O)[N-]c2onc(C(=O)[O-])c2C)o1 ZINC001573940623 1170834502 /nfs/dbraw/zinc/83/45/02/1170834502.db2.gz IMFBWUJJDDNVLG-UHFFFAOYSA-N -2 3 294.219 1.313 20 0 CDADHL C/C=C\C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000629343256 361848380 /nfs/dbraw/zinc/84/83/80/361848380.db2.gz VNZXOQTWUILHBN-ARJAWSKDSA-N -2 3 259.283 1.141 20 0 CDADHL CC(C)c1ccc(C(=O)N(C)Cc2nc(=O)o[n-]2)c([O-])c1 ZINC000640451827 362301807 /nfs/dbraw/zinc/30/18/07/362301807.db2.gz VUWCFMWFBIMVKA-UHFFFAOYSA-N -2 3 291.307 1.464 20 0 CDADHL COc1ccc(C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)c([O-])c1 ZINC000566235790 370654895 /nfs/dbraw/zinc/65/48/95/370654895.db2.gz SXCMNCJUDYMZHN-JOYOIKCWSA-N -2 3 293.319 1.584 20 0 CDADHL COc1ccsc1S(=O)(=O)[N-][C@H](C)CCC(=O)[O-] ZINC000275048571 365904574 /nfs/dbraw/zinc/90/45/74/365904574.db2.gz SAWOFJBGUHCRKU-SSDOTTSWSA-N -2 3 293.366 1.288 20 0 CDADHL C[C@@H]1CCN(C(=O)c2cc(=O)[nH][n-]2)c2c([O-])cccc21 ZINC000613577349 347788886 /nfs/dbraw/zinc/78/88/86/347788886.db2.gz PTOFIJQDHBBOQS-MRVPVSSYSA-N -2 3 273.292 1.975 20 0 CDADHL COCCOCCS(=O)(=O)[N-]c1ccc(C)cc1[O-] ZINC000271288375 191052148 /nfs/dbraw/zinc/05/21/48/191052148.db2.gz SKMDDYFZWIAROG-UHFFFAOYSA-N -2 3 289.353 1.105 20 0 CDADHL CCc1[n-]n(-c2cn[n-]c(=O)c2Cl)c(=O)c1C ZINC000634587557 356468715 /nfs/dbraw/zinc/46/87/15/356468715.db2.gz RGHIMBAQCLGWKA-YFKPBYRVSA-N -2 3 254.677 1.584 20 0 CDADHL CCCC[C@@H]([N-]S(=O)(=O)c1c(C)noc1C)C(=O)[O-] ZINC000035085629 356827253 /nfs/dbraw/zinc/82/72/53/356827253.db2.gz FQFAFDVBEOKBPT-SECBINFHSA-N -2 3 290.341 1.213 20 0 CDADHL CC[C@@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)C(=O)[O-] ZINC000035085670 356827351 /nfs/dbraw/zinc/82/73/51/356827351.db2.gz ZKZULEYOKFEFJJ-SECBINFHSA-N -2 3 279.264 1.106 20 0 CDADHL CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000035085813 356827516 /nfs/dbraw/zinc/82/75/16/356827516.db2.gz XWERRIKOTRXPJV-QMMMGPOBSA-N -2 3 295.719 1.621 20 0 CDADHL CCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000036838299 356886991 /nfs/dbraw/zinc/88/69/91/356886991.db2.gz CNVKPGYQQHANPD-ZCFIWIBFSA-N -2 3 297.785 1.933 20 0 CDADHL CCCN(CC(=O)[O-])C(=O)c1ccc(C)cc1[O-] ZINC000038019629 356954208 /nfs/dbraw/zinc/95/42/08/356954208.db2.gz PAIRCJQQFZHCQW-UHFFFAOYSA-N -2 3 251.282 1.637 20 0 CDADHL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000070312149 357719277 /nfs/dbraw/zinc/71/92/77/357719277.db2.gz ZTIPOQWQDLPICG-SSDOTTSWSA-N -2 3 293.291 1.496 20 0 CDADHL COc1cccc(C(=O)N(CC(=O)[O-])C(C)C)c1[O-] ZINC000037993478 358622994 /nfs/dbraw/zinc/62/29/94/358622994.db2.gz MVOGQYIQGJXOET-UHFFFAOYSA-N -2 3 267.281 1.336 20 0 CDADHL CC[C@@](C)(C[N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000211122346 358744927 /nfs/dbraw/zinc/74/49/27/358744927.db2.gz QMTAGIUJLUFSNS-JTQLQIEISA-N -2 3 277.367 1.527 20 0 CDADHL COc1ccc([O-])c(C(=O)N2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000062913567 360030038 /nfs/dbraw/zinc/03/00/38/360030038.db2.gz WRRLLUIWNZXRNU-AWEZNQCLSA-N -2 3 279.292 1.338 20 0 CDADHL CC(=O)c1ccc(C(=O)NCCC(C)(C)C(=O)[O-])cc1[O-] ZINC000566561253 370763891 /nfs/dbraw/zinc/76/38/91/370763891.db2.gz NUKDAWPRHXLEJU-UHFFFAOYSA-N -2 3 293.319 1.826 20 0 CDADHL O=C([O-])[C@@H](CC(F)F)[N-]S(=O)(=O)c1cccs1 ZINC000275370971 193012845 /nfs/dbraw/zinc/01/28/45/193012845.db2.gz YRHOHAUGEJSXCA-RXMQYKEDSA-N -2 3 285.293 1.135 20 0 CDADHL CSc1nc([N-]S(=O)(=O)CCCCF)n[n-]1 ZINC000289767593 369655420 /nfs/dbraw/zinc/65/54/20/369655420.db2.gz NOTFCBXWYGKICZ-UHFFFAOYSA-N -2 3 268.339 1.018 20 0 CDADHL Cc1ccc(C(=O)NC[C@@H](CC(=O)[O-])C2CC2)c([O-])c1 ZINC000659209655 412970515 /nfs/dbraw/zinc/97/05/15/412970515.db2.gz OVGGTYXWKKLKNX-LLVKDONJSA-N -2 3 277.320 1.931 20 0 CDADHL Cc1csc(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)c1 ZINC000646018660 391906862 /nfs/dbraw/zinc/90/68/62/391906862.db2.gz HPJMHLHLMPQQGB-UHFFFAOYSA-N -2 3 289.378 1.732 20 0 CDADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H]1C=CCCC1 ZINC000645972787 393441831 /nfs/dbraw/zinc/44/18/31/393441831.db2.gz TXPXLGJYJJLGPG-SSDOTTSWSA-N -2 3 288.350 1.228 20 0 CDADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCCCF)c1 ZINC000310296097 149192312 /nfs/dbraw/zinc/19/23/12/149192312.db2.gz SOGUXZDSIFQOMV-UHFFFAOYSA-N -2 3 281.330 1.474 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCCF)c(F)c1 ZINC000312016103 149226127 /nfs/dbraw/zinc/22/61/27/149226127.db2.gz XOJVRDFEXFCBTO-UHFFFAOYSA-N -2 3 293.291 1.552 20 0 CDADHL C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000020593343 171262983 /nfs/dbraw/zinc/26/29/83/171262983.db2.gz OBMZJGACPHQAAV-BDAKNGLRSA-N -2 3 287.337 1.835 20 0 CDADHL CCC(C)(C)[C@@H](C)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000656719214 413597456 /nfs/dbraw/zinc/59/74/56/413597456.db2.gz ZKPWTHBRTKKJIP-SSDOTTSWSA-N -2 3 289.357 1.211 20 0 CDADHL C[C@]1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1(F)F ZINC000656722458 413609699 /nfs/dbraw/zinc/60/96/99/413609699.db2.gz CJOLUWQXDUSVKF-SECBINFHSA-N -2 3 295.263 1.301 20 0 CDADHL CCC[C@H]([N-]S(=O)(=O)c1cc(C)ccc1F)C(=O)[O-] ZINC000036838120 172741715 /nfs/dbraw/zinc/74/17/15/172741715.db2.gz ALULQZRKVOVPDW-JTQLQIEISA-N -2 3 289.328 1.666 20 0 CDADHL COc1cccc(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])c1[O-] ZINC000070523093 175968439 /nfs/dbraw/zinc/96/84/39/175968439.db2.gz WKUJLPKNENHYJM-SCZZXKLOSA-N -2 3 279.292 1.384 20 0 CDADHL O=C(Nc1nnn[n-]1)c1cc(Cl)c2ccccc2c1[O-] ZINC000094155539 265220731 /nfs/dbraw/zinc/22/07/31/265220731.db2.gz BJJVPUYUAFFWQN-UHFFFAOYSA-N -2 3 289.682 1.964 20 0 CDADHL O=C(Nc1nn[n-]n1)c1cc(Cl)c2ccccc2c1[O-] ZINC000094155539 265220734 /nfs/dbraw/zinc/22/07/34/265220734.db2.gz BJJVPUYUAFFWQN-UHFFFAOYSA-N -2 3 289.682 1.964 20 0 CDADHL CCC(CC)(CC)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000086642624 279252446 /nfs/dbraw/zinc/25/24/46/279252446.db2.gz LWWBPHGTCVYQDI-UHFFFAOYSA-N -2 3 289.357 1.355 20 0 CDADHL O=C(NCc1ccc([O-])c(F)c1)c1ncccc1[O-] ZINC000132819437 279719809 /nfs/dbraw/zinc/71/98/09/279719809.db2.gz QBLLFXGTMRKFEU-UHFFFAOYSA-N -2 3 262.240 1.562 20 0 CDADHL COc1ccsc1S(=O)(=O)[N-][C@@H](C)[C@H](C)C(=O)[O-] ZINC000556702039 290284844 /nfs/dbraw/zinc/28/48/44/290284844.db2.gz BOSGBMUYGZANGU-BQBZGAKWSA-N -2 3 293.366 1.144 20 0 CDADHL CCCC[C@H](Sc1nc2c(cnn2C)c(=O)[n-]1)C(=O)[O-] ZINC000574770450 295052954 /nfs/dbraw/zinc/05/29/54/295052954.db2.gz LQBUXVQTNRARMF-QMMMGPOBSA-N -2 3 296.352 1.804 20 0 CDADHL COc1cc(C(=O)[N-]c2n[n-]c(C(F)(F)F)n2)on1 ZINC000182127715 323263185 /nfs/dbraw/zinc/26/31/85/323263185.db2.gz KSBIZCVRCKEPAN-UHFFFAOYSA-N -2 3 277.162 1.072 20 0 CDADHL Cc1cccc(C(=O)NC[C@H](C(=O)[O-])C(C)C)c1[O-] ZINC000087478870 482859249 /nfs/dbraw/zinc/85/92/49/482859249.db2.gz HIJAUWQYCBHFCE-NSHDSACASA-N -2 3 265.309 1.787 20 0 CDADHL CS(=O)(=O)[N-]c1c([O-])cccc1C(F)(F)F ZINC000095712593 1161572905 /nfs/dbraw/zinc/57/29/05/1161572905.db2.gz JIUNHSUWVLMWAB-UHFFFAOYSA-N -2 3 255.217 1.783 20 0 CDADHL Cc1cc(NC(=O)c2cc(=O)[n-]cn2)nc(C)c1C(=O)[O-] ZINC001600274315 1174434383 /nfs/dbraw/zinc/43/43/83/1174434383.db2.gz GOEQFYLWHLYMCA-UHFFFAOYSA-N -2 3 288.263 1.145 20 0 CDADHL Cc1ccc([O-])c(NC(=O)c2cc(C(=O)[O-])ccn2)n1 ZINC001600466473 1174485903 /nfs/dbraw/zinc/48/59/03/1174485903.db2.gz ABDMKANWGHBGRA-UHFFFAOYSA-N -2 3 273.248 1.441 20 0 CDADHL C[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1Cl)C(=O)[O-] ZINC000737696875 574494535 /nfs/dbraw/zinc/49/45/35/574494535.db2.gz RQUHZDFPODZELH-BYPYZUCNSA-N -2 3 299.135 1.140 20 0 CDADHL Cc1ccc(-c2cc(C(=O)OCCNC(=O)[O-])[n-]n2)o1 ZINC000738488221 576081562 /nfs/dbraw/zinc/08/15/62/576081562.db2.gz KASKJBFYXLVGHH-UHFFFAOYSA-N -2 3 279.252 1.403 20 0 CDADHL Cc1ccc(-c2cc(C(=O)OCCNC(=O)[O-])n[n-]2)o1 ZINC000738488221 576081564 /nfs/dbraw/zinc/08/15/64/576081564.db2.gz KASKJBFYXLVGHH-UHFFFAOYSA-N -2 3 279.252 1.403 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)Cc1ccc(Cl)cc1 ZINC001601995034 1175104098 /nfs/dbraw/zinc/10/40/98/1175104098.db2.gz KNACDGLIVXKUPX-UHFFFAOYSA-N -2 3 271.700 1.795 20 0 CDADHL O=C([O-])[C@H]1CCCN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000019257439 600020008 /nfs/dbraw/zinc/02/00/08/600020008.db2.gz ARTUQQPLQJLUQW-QMMMGPOBSA-N -2 3 265.265 1.035 20 0 CDADHL CSc1nc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)n[n-]1 ZINC000832798802 600917350 /nfs/dbraw/zinc/91/73/50/600917350.db2.gz MLPLGCJMPVWFQM-BQBZGAKWSA-N -2 3 284.341 1.356 20 0 CDADHL CCc1cccc(C(=O)N2CCC(C(=O)[O-])CC2)c1[O-] ZINC000818339254 601385815 /nfs/dbraw/zinc/38/58/15/601385815.db2.gz CSADNEBINCMUGB-UHFFFAOYSA-N -2 3 277.320 1.891 20 0 CDADHL O=C([O-])CCCCCCNC(=O)c1c([O-])cccc1O ZINC000232428704 601611239 /nfs/dbraw/zinc/61/12/39/601611239.db2.gz WTIPZGUJQQNEEA-UHFFFAOYSA-N -2 3 281.308 1.863 20 0 CDADHL CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000388614069 601809912 /nfs/dbraw/zinc/80/99/12/601809912.db2.gz FAOHVGZNOIZSBY-IUCAKERBSA-N -2 3 287.337 1.835 20 0 CDADHL O=C([O-])CN(C(=O)c1ccc(O)cc1[O-])C1CCCC1 ZINC000037586201 602400271 /nfs/dbraw/zinc/40/02/71/602400271.db2.gz FPAMRVCFCIWSMY-UHFFFAOYSA-N -2 3 279.292 1.567 20 0 CDADHL COc1ccc([O-])c(C(=O)Nc2ccc(C(=O)[O-])nc2)c1 ZINC000128167674 605251192 /nfs/dbraw/zinc/25/11/92/605251192.db2.gz ZLMPRLAJSZACDO-UHFFFAOYSA-N -2 3 288.259 1.746 20 0 CDADHL O=C([O-])[C@@H]1C[C@@H]1CNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000910606506 618308817 /nfs/dbraw/zinc/30/88/17/618308817.db2.gz QEZHFTSFBRXYMC-GHMZBOCLSA-N -2 3 295.310 1.691 20 0 CDADHL CC(F)(F)C(=O)[N-][C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000902861738 625551446 /nfs/dbraw/zinc/55/14/46/625551446.db2.gz BEBSKKRXIAUPSX-QMMMGPOBSA-N -2 3 261.199 1.723 20 0 CDADHL C[C@H](C(=O)[O-])N(C(=O)NCc1ccc([O-])c(F)c1)C1CC1 ZINC000909047076 628489673 /nfs/dbraw/zinc/48/96/73/628489673.db2.gz DMFKSNWLUSOOHF-MRVPVSSYSA-N -2 3 296.298 1.678 20 0 CDADHL CC(C)([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC000149987675 628669377 /nfs/dbraw/zinc/66/93/77/628669377.db2.gz VDQSQJKUKSTLPC-UHFFFAOYSA-N -2 3 297.254 1.245 20 0 CDADHL C[C@]1(C(=O)[O-])CCCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000909839217 628703664 /nfs/dbraw/zinc/70/36/64/628703664.db2.gz GXRKBHLFKIMFOS-HNNXBMFYSA-N -2 3 295.310 1.787 20 0 CDADHL O=C([O-])C1(C(=O)NCc2ccc([O-])c(F)c2)CCC1 ZINC000909923386 628777157 /nfs/dbraw/zinc/77/71/57/628777157.db2.gz PFWKELBMTQAPRH-UHFFFAOYSA-N -2 3 267.256 1.402 20 0 CDADHL CCCN(C(=O)Cc1ccc([O-])c(F)c1)[C@H](C)C(=O)[O-] ZINC000911718135 629434482 /nfs/dbraw/zinc/43/44/82/629434482.db2.gz QJSPULWLIZDMQS-SECBINFHSA-N -2 3 283.299 1.786 20 0 CDADHL COc1ccccc1CO[N-]C(=O)CCCC(=O)[O-] ZINC000911805338 629535836 /nfs/dbraw/zinc/53/58/36/629535836.db2.gz NAROCUBIUIOKTB-UHFFFAOYSA-N -2 3 267.281 1.498 20 0 CDADHL CCO[N-]C(=O)C(F)(F)c1ccccc1-c1nnn[n-]1 ZINC001604438298 1163188104 /nfs/dbraw/zinc/18/81/04/1163188104.db2.gz UFTYVOJREGBIOE-UHFFFAOYSA-N -2 3 283.238 1.026 20 0 CDADHL CCO[N-]C(=O)C(F)(F)c1ccccc1-c1nn[n-]n1 ZINC001604438298 1163188108 /nfs/dbraw/zinc/18/81/08/1163188108.db2.gz UFTYVOJREGBIOE-UHFFFAOYSA-N -2 3 283.238 1.026 20 0 CDADHL CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cc(=O)[n-]cn1 ZINC001606150676 1163789104 /nfs/dbraw/zinc/78/91/04/1163789104.db2.gz LCSWMSDTCZOZIP-UHFFFAOYSA-N -2 3 287.275 1.153 20 0 CDADHL Cc1cc(=O)[n-]c(CN[C@H](C)c2ncc(C(=O)[O-])s2)n1 ZINC001607699970 1164274667 /nfs/dbraw/zinc/27/46/67/1164274667.db2.gz TZOJBMPJJQNNKL-SSDOTTSWSA-N -2 3 294.336 1.496 20 0 CDADHL Cc1cccc([O-])c1C(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC001607858014 1164314605 /nfs/dbraw/zinc/31/46/05/1164314605.db2.gz AVWPRHNTGZFSQO-CYBMUJFWSA-N -2 3 267.256 1.339 20 0 CDADHL Cn1nc(Cl)c(C(=O)[N-]OCCCC(=O)[O-])c1Cl ZINC001608148676 1164426121 /nfs/dbraw/zinc/42/61/21/1164426121.db2.gz OHXQSROBERWJSA-UHFFFAOYSA-N -2 3 296.110 1.253 20 0 CDADHL O=C([O-])[C@H](SCCc1nnn[n-]1)c1ccc(F)cc1 ZINC001608558519 1164544986 /nfs/dbraw/zinc/54/49/86/1164544986.db2.gz VZNHZUFEPWMTBC-SNVBAGLBSA-N -2 3 282.300 1.440 20 0 CDADHL O=C([O-])[C@H](SCCc1nn[n-]n1)c1ccc(F)cc1 ZINC001608558519 1164544992 /nfs/dbraw/zinc/54/49/92/1164544992.db2.gz VZNHZUFEPWMTBC-SNVBAGLBSA-N -2 3 282.300 1.440 20 0 CDADHL O=C([O-])c1coc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c1 ZINC001608988157 1164710325 /nfs/dbraw/zinc/71/03/25/1164710325.db2.gz SXIPFJFVDVEOJF-UHFFFAOYSA-N -2 3 290.157 1.367 20 0 CDADHL O=C([O-])c1coc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c1 ZINC001608988157 1164710331 /nfs/dbraw/zinc/71/03/31/1164710331.db2.gz SXIPFJFVDVEOJF-UHFFFAOYSA-N -2 3 290.157 1.367 20 0 CDADHL COC[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)C(=O)[O-] ZINC001610251967 1165273398 /nfs/dbraw/zinc/27/33/98/1165273398.db2.gz YZUOTIVHCLSNMM-GFCCVEGCSA-N -2 3 289.287 1.375 20 0 CDADHL O=C([O-])CCNc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000095150345 1166595110 /nfs/dbraw/zinc/59/51/10/1166595110.db2.gz VPGOKANNVNECAK-UHFFFAOYSA-N -2 3 288.311 1.027 20 0 CDADHL O=C([O-])CCNc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000095150345 1166595128 /nfs/dbraw/zinc/59/51/28/1166595128.db2.gz VPGOKANNVNECAK-UHFFFAOYSA-N -2 3 288.311 1.027 20 0 CDADHL Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CC[C@H](C(=O)[O-])C2)n1 ZINC001592092928 1173796378 /nfs/dbraw/zinc/79/63/78/1173796378.db2.gz JXTSQYVQKWMFOG-DTWKUNHWSA-N -2 3 288.311 1.235 20 0 CDADHL Cc1ccc(-c2nn[n-]n2)c(N[C@@H]2CC[C@H](C(=O)[O-])C2)n1 ZINC001592092928 1173796384 /nfs/dbraw/zinc/79/63/84/1173796384.db2.gz JXTSQYVQKWMFOG-DTWKUNHWSA-N -2 3 288.311 1.235 20 0 CDADHL Cc1cccc(CCC(=O)[N-]OCCCC(=O)[O-])c1 ZINC001600529557 1174497226 /nfs/dbraw/zinc/49/72/26/1174497226.db2.gz MKSJMEWKHHTGBR-UHFFFAOYSA-N -2 3 265.309 1.840 20 0 CDADHL O=C([O-])c1cccc(CC(=O)[N-]OCC2CCC2)c1 ZINC001601364954 1174846999 /nfs/dbraw/zinc/84/69/99/1174846999.db2.gz YOLNCVYKVMASSI-UHFFFAOYSA-N -2 3 263.293 1.775 20 0 CDADHL O=C([O-])c1coc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC001602550985 1175291266 /nfs/dbraw/zinc/29/12/66/1175291266.db2.gz SBRYZBQKAFZRDE-UHFFFAOYSA-N -2 3 299.246 1.410 20 0 CDADHL O=C([O-])c1coc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC001602550985 1175291275 /nfs/dbraw/zinc/29/12/75/1175291275.db2.gz SBRYZBQKAFZRDE-UHFFFAOYSA-N -2 3 299.246 1.410 20 0 CDADHL C[C@@H]1CCc2c(=O)n(-c3ccc(-c4nnn[n-]4)cn3)[n-]c21 ZINC001603880952 1175669103 /nfs/dbraw/zinc/66/91/03/1175669103.db2.gz IFAMAVXODLLIQT-APPZFPTMSA-N -2 3 283.295 1.010 20 0 CDADHL C[C@@H]1CCc2c(=O)n(-c3ccc(-c4nn[n-]n4)cn3)[n-]c21 ZINC001603880952 1175669108 /nfs/dbraw/zinc/66/91/08/1175669108.db2.gz IFAMAVXODLLIQT-APPZFPTMSA-N -2 3 283.295 1.010 20 0 CDADHL CCOc1nc(NC(=O)c2coc(C=CC(=O)[O-])c2)n[n-]1 ZINC001603885182 1175670982 /nfs/dbraw/zinc/67/09/82/1175670982.db2.gz MAVAGCUYGVVAKS-ONEGZZNKSA-N -2 3 292.251 1.147 20 0 CDADHL CCOc1n[n-]c(NC(=O)c2coc(C=CC(=O)[O-])c2)n1 ZINC001603885182 1175670987 /nfs/dbraw/zinc/67/09/87/1175670987.db2.gz MAVAGCUYGVVAKS-ONEGZZNKSA-N -2 3 292.251 1.147 20 0 CDADHL CCc1ccc(C(=O)NC(C)(C)CC(=O)[O-])c([O-])c1 ZINC001610060555 1165199521 /nfs/dbraw/zinc/19/95/21/1165199521.db2.gz VOYRURPUKUJBDC-UHFFFAOYSA-N -2 3 265.309 1.938 20 0 CDADHL CC(=O)c1cccc([O-])c1[N-]S(=O)(=O)CC1CC1 ZINC001188974206 921246311 /nfs/dbraw/zinc/24/63/11/921246311.db2.gz SLRCCQIHGUKZNI-UHFFFAOYSA-N -2 3 269.322 1.747 20 0 CDADHL O=C([O-])C1(C(=O)Nc2ncccc2[O-])CCCCC1 ZINC001180435250 916332437 /nfs/dbraw/zinc/33/24/37/916332437.db2.gz WQTYZSQZPFRYBW-UHFFFAOYSA-N -2 3 264.281 1.761 20 0 CDADHL Cc1ccc(CC(=O)NCCCCP(=O)([O-])[O-])cc1C ZINC001180464958 916396777 /nfs/dbraw/zinc/39/67/77/916396777.db2.gz YRBKCNHNJXTBGJ-UHFFFAOYSA-N -2 3 299.307 1.920 20 0 CDADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1c([O-])ccc(F)c1F ZINC001192785086 923244836 /nfs/dbraw/zinc/24/48/36/923244836.db2.gz CZNDYKCGYGRSGP-UHFFFAOYSA-N -2 3 297.261 1.380 20 0 CDADHL CC(=O)c1cccc([O-])c1NC(=O)c1cc(=O)[nH][n-]1 ZINC001193470320 923704707 /nfs/dbraw/zinc/70/47/07/923704707.db2.gz XIBYERILRYGALO-UHFFFAOYSA-N -2 3 261.237 1.276 20 0 CDADHL C[C@@H]1C[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195186206 924488611 /nfs/dbraw/zinc/48/86/11/924488611.db2.gz HBPMLYOWUILFJG-ANLVUFKYSA-N -2 3 291.275 1.350 20 0 CDADHL O=P([O-])([O-])CCNC(=S)Nc1ccccc1F ZINC001195792330 924734828 /nfs/dbraw/zinc/73/48/28/924734828.db2.gz ILMABYZOGXWHHZ-UHFFFAOYSA-N -2 3 278.245 1.290 20 0 CDADHL O=C(Nc1cncc([O-])c1)c1c[n-]c2cccnc2c1=O ZINC001153852090 937476543 /nfs/dbraw/zinc/47/65/43/937476543.db2.gz WIJXTZGQPSNPER-UHFFFAOYSA-N -2 3 282.259 1.276 20 0 CDADHL C[C@]1(C(=O)NCCCCP(=O)([O-])[O-])C[C@@H]2C=C[C@H]1C2 ZINC001144285641 931736830 /nfs/dbraw/zinc/73/68/30/931736830.db2.gz HOPVXRKYWVXHTH-MDZLAQPJSA-N -2 3 287.296 1.663 20 0 CDADHL CCC(CC)(NC(=O)c1c([O-])cccc1F)c1nnn[n-]1 ZINC001412109767 932271250 /nfs/dbraw/zinc/27/12/50/932271250.db2.gz MVRGYARDPVQZKK-UHFFFAOYSA-N -2 3 293.302 1.490 20 0 CDADHL CCC(CC)(NC(=O)c1c([O-])cccc1F)c1nn[n-]n1 ZINC001412109767 932271253 /nfs/dbraw/zinc/27/12/53/932271253.db2.gz MVRGYARDPVQZKK-UHFFFAOYSA-N -2 3 293.302 1.490 20 0 CDADHL O=P([O-])([O-])CCO[C@H]1CCc2c1nccc2Cl ZINC001224605918 941775107 /nfs/dbraw/zinc/77/51/07/941775107.db2.gz LAPVIJPOMWQTQX-VIFPVBQESA-N -2 3 277.644 1.917 20 0 CDADHL CCC[C@H](CC(=O)OC)OCCCCP(=O)([O-])[O-] ZINC001225018548 941814944 /nfs/dbraw/zinc/81/49/44/941814944.db2.gz AJYOSSZWYBSEIE-SNVBAGLBSA-N -2 3 282.273 1.693 20 0 CDADHL F[C@H]1COCC[C@H]1Oc1nc2ncnc-2c([S-])[n-]1 ZINC001226780859 942068327 /nfs/dbraw/zinc/06/83/27/942068327.db2.gz BVCNUPYGPRDTSF-NTSWFWBYSA-N -2 3 270.289 1.147 20 0 CDADHL COC(=O)[C@@]1(C)C[C@@H](Oc2nc3ncnc-3c([S-])[n-]2)C1 ZINC001226782176 942069346 /nfs/dbraw/zinc/06/93/46/942069346.db2.gz QGVSBDLARTUBSB-ZFUMSHNSSA-N -2 3 294.336 1.362 20 0 CDADHL O=c1nc(O[C@@H]2CCCc3ccccc32)[n-]c(=O)[n-]1 ZINC001227566132 942189779 /nfs/dbraw/zinc/18/97/79/942189779.db2.gz FSNOEDPWUKWGCF-SNVBAGLBSA-N -2 3 259.265 1.739 20 0 CDADHL COC1=CC[C@@H](Oc2[n-]c(=O)nc3cn[n-]c32)CC1 ZINC001233945119 943696510 /nfs/dbraw/zinc/69/65/10/943696510.db2.gz QSVPZIZNYLIRCX-MRVPVSSYSA-N -2 3 262.269 1.108 20 0 CDADHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-][C@H]2C[C@@H](F)C2)c1 ZINC001260218132 945810229 /nfs/dbraw/zinc/81/02/29/945810229.db2.gz UECSJVXFXDEITL-OCAPTIKFSA-N -2 3 291.275 1.303 20 0 CDADHL O=S(=O)([N-]c1cncc([O-])c1)c1cccc2nonc21 ZINC001260435732 945824834 /nfs/dbraw/zinc/82/48/34/945824834.db2.gz QCINSMIDVSPHDJ-UHFFFAOYSA-N -2 3 292.276 1.124 20 0 CDADHL O=S(=O)([O-])c1cccc(-c2ccc([O-])c(F)c2)n1 ZINC001240781618 946030291 /nfs/dbraw/zinc/03/02/91/946030291.db2.gz CAXAVLXMVUWDOO-UHFFFAOYSA-N -2 3 269.253 1.840 20 0 CDADHL O=C1[N-]S(=O)(=O)c2cc(-c3cccc(F)c3[O-])ccc21 ZINC001242351552 946688872 /nfs/dbraw/zinc/68/88/72/946688872.db2.gz ZNAOGVCAOYPYIP-UHFFFAOYSA-N -2 3 293.275 1.630 20 0 CDADHL O=C([O-])CC[C@@H](NCc1ncc(Cl)s1)C(=O)[O-] ZINC001650015486 1169610570 /nfs/dbraw/zinc/61/05/70/1169610570.db2.gz MEDLNMGUNQIVFY-RXMQYKEDSA-N -2 3 278.717 1.204 20 0 CDADHL O=C([O-])Cn1cc([N-]c2nc3ccccc3o2)cn1 ZINC001595148641 952129306 /nfs/dbraw/zinc/12/93/06/952129306.db2.gz SWWYIALDMVQJIJ-UHFFFAOYSA-N -2 3 258.237 1.853 20 0 CDADHL O=C([O-])c1ccc(C(=O)Nc2cccc([O-])c2F)cn1 ZINC001594810146 953807092 /nfs/dbraw/zinc/80/70/92/953807092.db2.gz BUUGFPNYCUZUIM-UHFFFAOYSA-N -2 3 276.223 1.877 20 0 CDADHL CCOC(=O)c1cnc(NC(=O)c2cccc([O-])c2F)[n-]1 ZINC001363383879 972129009 /nfs/dbraw/zinc/12/90/09/972129009.db2.gz HHFLPRBEUDSFHJ-UHFFFAOYSA-N -2 3 293.254 1.683 20 0 CDADHL CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001589217489 956737084 /nfs/dbraw/zinc/73/70/84/956737084.db2.gz KLGRDRHNIQZPRJ-SECBINFHSA-N -2 3 292.217 1.263 20 0 CDADHL CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC001589217489 956737093 /nfs/dbraw/zinc/73/70/93/956737093.db2.gz KLGRDRHNIQZPRJ-SECBINFHSA-N -2 3 292.217 1.263 20 0 CDADHL C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000036894104 957243590 /nfs/dbraw/zinc/24/35/90/957243590.db2.gz ABSNVDHPKNXYAK-UHFFFAOYSA-N -2 3 267.665 1.085 20 0 CDADHL COc1ccc(C(=O)N2CCSC[C@@H]2C(=O)[O-])c([O-])c1 ZINC000214809717 959741593 /nfs/dbraw/zinc/74/15/93/959741593.db2.gz JXGWWNWPXAFWEG-SNVBAGLBSA-N -2 3 297.332 1.043 20 0 CDADHL Cc1oc(CNC(=O)c2c([O-])cccc2O)cc1C(=O)[O-] ZINC000232428987 960268167 /nfs/dbraw/zinc/26/81/67/960268167.db2.gz QYJDHICTABIYII-UHFFFAOYSA-N -2 3 291.259 1.627 20 0 CDADHL C[C@H](C(=O)[O-])C(=O)N([O-])Cc1ccccc1Cl ZINC000033962563 967503338 /nfs/dbraw/zinc/50/33/38/967503338.db2.gz GHAOVNGIKKDVFP-ZETCQYMHSA-N -2 3 257.673 1.779 20 0 CDADHL CC1(C(=O)[O-])CCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000232429232 967741485 /nfs/dbraw/zinc/74/14/85/967741485.db2.gz BIOLSSSKZCFBSH-UHFFFAOYSA-N -2 3 279.292 1.425 20 0 CDADHL O=C([O-])C1=NO[C@@H](C(=O)Nc2c([O-])cccc2Cl)C1 ZINC001594888293 970273034 /nfs/dbraw/zinc/27/30/34/970273034.db2.gz BKCXSIIVXJKHMQ-MRVPVSSYSA-N -2 3 284.655 1.214 20 0 CDADHL C=C/C=C/CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000713492704 977638792 /nfs/dbraw/zinc/63/87/92/977638792.db2.gz VSSJUQPFHSTHBT-ONEGZZNKSA-N -2 3 271.294 1.388 20 0 CDADHL CCC(CC)(CC(=O)[O-])NC(=O)c1cccc2n[n-]nc21 ZINC001595053238 979285192 /nfs/dbraw/zinc/28/51/92/979285192.db2.gz HZRDFVCUTWAGGO-UHFFFAOYSA-N -2 3 290.323 1.721 20 0 CDADHL CC(C)(C)OCC[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001590388370 989908747 /nfs/dbraw/zinc/90/87/47/989908747.db2.gz ORMANPIPEOZVBB-UHFFFAOYSA-N -2 3 291.325 1.071 20 0 CDADHL CC(C)C[C@@H](CNC(=O)c1cccc2n[n-]nc21)C(=O)[O-] ZINC001591156190 991902138 /nfs/dbraw/zinc/90/21/38/991902138.db2.gz MYGYBLQOVFVBQH-VIFPVBQESA-N -2 3 290.323 1.435 20 0 CDADHL COC[C@H](OC(=O)c1cc(-c2ccc(C)o2)[n-]n1)C(=O)[O-] ZINC001599186480 997035868 /nfs/dbraw/zinc/03/58/68/997035868.db2.gz ZXRSTNXUWMPKFI-NSHDSACASA-N -2 3 294.263 1.235 20 0 CDADHL COC[C@@H]([N-]C(=O)C(F)(F)c1ccccc1F)C(=O)[O-] ZINC001599165627 998537380 /nfs/dbraw/zinc/53/73/80/998537380.db2.gz GHWVEIUJUDFEOB-SECBINFHSA-N -2 3 291.225 1.133 20 0 CDADHL CCOC(=O)c1ncc(NC(=O)CC(C)(C)CC(=O)[O-])[n-]1 ZINC001605581518 1163614412 /nfs/dbraw/zinc/61/44/12/1163614412.db2.gz XVFXJBZQZDHJKR-UHFFFAOYSA-N -2 3 297.311 1.416 20 0 CDADHL CCOC(=O)c1nc(NC(=O)CC(C)(C)CC(=O)[O-])c[n-]1 ZINC001605581518 1163614420 /nfs/dbraw/zinc/61/44/20/1163614420.db2.gz XVFXJBZQZDHJKR-UHFFFAOYSA-N -2 3 297.311 1.416 20 0 CDADHL CC(C)C[C@@](C)(CNC(=O)c1c([O-])cccc1O)C(=O)[O-] ZINC001573492473 1170672956 /nfs/dbraw/zinc/67/29/56/1170672956.db2.gz SDZCFLRDXMNFLT-HNNXBMFYSA-N -2 3 295.335 1.965 20 0 CDADHL O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccccc2F)C1 ZINC000097063676 342063164 /nfs/dbraw/zinc/06/31/64/342063164.db2.gz CVCRVDOKUZAQHU-BDAKNGLRSA-N -2 3 287.312 1.357 20 0 CDADHL CSc1ccc([O-])c(C(=O)N(C)Cc2nc(=O)o[n-]2)c1 ZINC000640456336 362311051 /nfs/dbraw/zinc/31/10/51/362311051.db2.gz USQYFOZVUOVKSQ-UHFFFAOYSA-N -2 3 295.320 1.063 20 0 CDADHL C=CCCC[C@H](C)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000398125808 345274970 /nfs/dbraw/zinc/27/49/70/345274970.db2.gz CNISDPQBOHRXJN-QMMMGPOBSA-N -2 3 287.341 1.131 20 0 CDADHL Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H](C)C(=O)[O-])cc1F ZINC000274929400 365858456 /nfs/dbraw/zinc/85/84/56/365858456.db2.gz ORVXDORMASYDPE-SSDOTTSWSA-N -2 3 293.291 1.272 20 0 CDADHL CCC(CC)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000092114015 180327502 /nfs/dbraw/zinc/32/75/02/180327502.db2.gz UKFBQEVMMKTRLW-UHFFFAOYSA-N -2 3 289.328 1.991 20 0 CDADHL C[C@H]1CCc2c(=O)n(-c3cn[n-]c(=O)c3Cl)[n-]c21 ZINC000634587084 356466662 /nfs/dbraw/zinc/46/66/62/356466662.db2.gz DXSWEPVFTIYABQ-NTSWFWBYSA-N -2 3 266.688 1.584 20 0 CDADHL C[C@H]1CCc2[n-]n(-c3cn[n-]c(=O)c3Cl)c(=O)c21 ZINC000634587456 356468601 /nfs/dbraw/zinc/46/86/01/356468601.db2.gz OSDBETASBQWQTE-XNCJUZBTSA-N -2 3 266.688 1.584 20 0 CDADHL C/C=C/C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000634653261 356640693 /nfs/dbraw/zinc/64/06/93/356640693.db2.gz OWRSSDKAZAPRMH-PBKGFPTLSA-N -2 3 287.312 1.523 20 0 CDADHL CCC[C@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)C(=O)[O-] ZINC000036838340 356886713 /nfs/dbraw/zinc/88/67/13/356886713.db2.gz BDRBCTAQJAMHGE-JTQLQIEISA-N -2 3 293.291 1.496 20 0 CDADHL Cc1cccc(S(=O)(=O)[N-]C[C@@H](C)C(=O)[O-])c1F ZINC000274945562 356850591 /nfs/dbraw/zinc/85/05/91/356850591.db2.gz RTGPBFUYQGKCRJ-MRVPVSSYSA-N -2 3 275.301 1.133 20 0 CDADHL COc1ccc(C(=O)N[C@@H](CC2CC2)C(=O)[O-])c([O-])c1 ZINC000312750279 357290026 /nfs/dbraw/zinc/29/00/26/357290026.db2.gz KSHUXAGOCULVET-NSHDSACASA-N -2 3 279.292 1.384 20 0 CDADHL CCN(CC)S(=O)(=O)[N-]c1cc(F)ccc1[O-] ZINC000085203637 358255601 /nfs/dbraw/zinc/25/56/01/358255601.db2.gz ZYXTYVUMDQVTRR-UHFFFAOYSA-N -2 3 262.306 1.530 20 0 CDADHL O=C([O-])[C@H]1CC[C@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000634824622 359413226 /nfs/dbraw/zinc/41/32/26/359413226.db2.gz YGYBLCSLLKTJLH-SFYZADRCSA-N -2 3 253.229 1.581 20 0 CDADHL Cc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])c([O-])c1 ZINC000019807158 364083329 /nfs/dbraw/zinc/08/33/29/364083329.db2.gz KKLGRJNBHRQIDS-NSHDSACASA-N -2 3 265.309 1.930 20 0 CDADHL O=c1[n-]c([C@H]2CCCCN2Cc2ncccc2[O-])n[nH]1 ZINC000566424976 370716287 /nfs/dbraw/zinc/71/62/87/370716287.db2.gz UCWTYOJCHPNXPS-SNVBAGLBSA-N -2 3 275.312 1.338 20 0 CDADHL CC(C)C[C@@H](C(=O)[O-])[S@](=O)c1ccc([O-])cc1 ZINC000566605314 370772911 /nfs/dbraw/zinc/77/29/11/370772911.db2.gz MFVYAYBCQWIHAE-APPDUMDISA-N -2 3 256.323 1.999 20 0 CDADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(F)cc2F)CCC1 ZINC000164949352 364844242 /nfs/dbraw/zinc/84/42/42/364844242.db2.gz ITACAPXUXZQKRT-UHFFFAOYSA-N -2 3 291.275 1.250 20 0 CDADHL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccco1 ZINC000567298451 370948621 /nfs/dbraw/zinc/94/86/21/370948621.db2.gz XOBFUSFBBRWULI-VHSXEESVSA-N -2 3 289.353 1.837 20 0 CDADHL CC(C)[C@H](C(=O)[O-])C(=O)Nc1cc(F)ccc1[O-] ZINC000573613564 371599171 /nfs/dbraw/zinc/59/91/71/371599171.db2.gz CFKKMULICIOSFI-JTQLQIEISA-N -2 3 255.245 1.827 20 0 CDADHL O=C([N-]c1nnc2n1CCCC2)C(=O)c1ccc([O-])cc1 ZINC000281136493 195117758 /nfs/dbraw/zinc/11/77/58/195117758.db2.gz YWJRTCYAEBOTPQ-UHFFFAOYSA-N -2 3 286.291 1.141 20 0 CDADHL O=C(C=Cc1ccc(F)c(F)c1)N=c1ccc([O-])n[n-]1 ZINC000492976315 253338126 /nfs/dbraw/zinc/33/81/26/253338126.db2.gz XPCABZIOEPFFAL-GORDUTHDSA-N -2 3 277.230 1.534 20 0 CDADHL CCc1nnsc1C(=O)[N-]c1n[n-]c(-c2ccco2)n1 ZINC000073974622 391891074 /nfs/dbraw/zinc/89/10/74/391891074.db2.gz NYLBEMRUUPKQRT-UHFFFAOYSA-N -2 3 290.308 1.731 20 0 CDADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H]1C=CCCC1 ZINC000645972705 393442018 /nfs/dbraw/zinc/44/20/18/393442018.db2.gz JLMVDOIXOBUUMA-SSDOTTSWSA-N -2 3 288.350 1.228 20 0 CDADHL Cc1nc(C=Cc2cncc(F)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000349106307 154052663 /nfs/dbraw/zinc/05/26/63/154052663.db2.gz HZGYSTUYZYPNNJ-NSCUHMNNSA-N -2 3 289.266 1.822 20 0 CDADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2CC[C@@H](F)C2)c1 ZINC000352180732 155002036 /nfs/dbraw/zinc/00/20/36/155002036.db2.gz SBGGISYQXXJCON-HTQZYQBOSA-N -2 3 293.341 1.615 20 0 CDADHL O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccccc1[O-] ZINC000021966113 171343575 /nfs/dbraw/zinc/34/35/75/171343575.db2.gz AVPUMHMECACQJM-CYBMUJFWSA-N -2 3 285.299 1.818 20 0 CDADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F)C1CC1 ZINC000035134831 172001454 /nfs/dbraw/zinc/00/14/54/172001454.db2.gz SDBDAWLOUZEFAD-ZETCQYMHSA-N -2 3 287.312 1.601 20 0 CDADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C)ccc1F)C(=O)[O-] ZINC000035410737 172181908 /nfs/dbraw/zinc/18/19/08/172181908.db2.gz QOQZRZHTCNUCEJ-SECBINFHSA-N -2 3 275.301 1.276 20 0 CDADHL CC[C@@H](C)CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000656715923 413596188 /nfs/dbraw/zinc/59/61/88/413596188.db2.gz BORSTDYUAGIFDQ-MRVPVSSYSA-N -2 3 275.326 1.692 20 0 CDADHL CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1cc(F)ccc1[O-] ZINC000663060280 413875722 /nfs/dbraw/zinc/87/57/22/413875722.db2.gz KQAXBNXNGOBZDH-CYBMUJFWSA-N -2 3 267.256 1.971 20 0 CDADHL COc1ccc([O-])c(C(=O)NC2(C(=O)[O-])CCCC2)c1 ZINC000037419631 173196690 /nfs/dbraw/zinc/19/66/90/173196690.db2.gz PXEKTIJZJYZOPO-UHFFFAOYSA-N -2 3 279.292 1.528 20 0 CDADHL CC(C)(CCNc1ccc(-c2nnn[n-]2)nc1)C(=O)[O-] ZINC001589276429 1173134474 /nfs/dbraw/zinc/13/44/74/1173134474.db2.gz YVWMZJZILJLBFZ-UHFFFAOYSA-N -2 3 276.300 1.175 20 0 CDADHL CC(C)(CCNc1ccc(-c2nn[n-]n2)nc1)C(=O)[O-] ZINC001589276429 1173134478 /nfs/dbraw/zinc/13/44/78/1173134478.db2.gz YVWMZJZILJLBFZ-UHFFFAOYSA-N -2 3 276.300 1.175 20 0 CDADHL CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1ccco1 ZINC000562999007 293239864 /nfs/dbraw/zinc/23/98/64/293239864.db2.gz FSWHSEIUTMKVPV-SCZZXKLOSA-N -2 3 275.326 1.303 20 0 CDADHL CC1CC([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000564327178 316448041 /nfs/dbraw/zinc/44/80/41/316448041.db2.gz PHBBJTTUIBFCGH-UHFFFAOYSA-N -2 3 259.283 1.055 20 0 CDADHL C/C=C\C[C@@H](NC(=O)c1cc(OC)ccc1[O-])C(=O)[O-] ZINC000569909623 316871763 /nfs/dbraw/zinc/87/17/63/316871763.db2.gz HVWMJJISAVDNQV-DLRQAJBASA-N -2 3 279.292 1.550 20 0 CDADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CC(C)C ZINC000576155953 317085911 /nfs/dbraw/zinc/08/59/11/317085911.db2.gz PCQXOOUEWLVWCO-UHFFFAOYSA-N -2 3 293.366 1.389 20 0 CDADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCC2CC2)c1 ZINC000088455005 482946359 /nfs/dbraw/zinc/94/63/59/482946359.db2.gz NKSDMNBUJYAENT-UHFFFAOYSA-N -2 3 275.351 1.525 20 0 CDADHL CC1([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CCC1 ZINC000167983537 482954041 /nfs/dbraw/zinc/95/40/41/482954041.db2.gz OICXWSRSVCHFLW-UHFFFAOYSA-N -2 3 259.283 1.199 20 0 CDADHL C[C@@H]1C[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000052276330 525331165 /nfs/dbraw/zinc/33/11/65/525331165.db2.gz UZNOTGSZNSYTDU-MUWHJKNJSA-N -2 3 273.285 1.211 20 0 CDADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C)C(F)F ZINC000414326910 535806860 /nfs/dbraw/zinc/80/68/60/535806860.db2.gz NZTGEDSTDRQVND-ZCFIWIBFSA-N -2 3 297.279 1.608 20 0 CDADHL Cc1c(C(=O)[O-])cc(CNc2cc(=O)[n-]c(C)n2)n1C ZINC001600717230 1174577245 /nfs/dbraw/zinc/57/72/45/1174577245.db2.gz ACAVWORBJVTIFU-UHFFFAOYSA-N -2 3 276.296 1.448 20 0 CDADHL Cc1oc(CN2CCC[C@@H](C(=O)[O-])C2)cc1C(=O)[O-] ZINC001600844598 1174639661 /nfs/dbraw/zinc/63/96/61/1174639661.db2.gz NTMVSDLONSQFPJ-SECBINFHSA-N -2 3 267.281 1.583 20 0 CDADHL O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000739553854 574451789 /nfs/dbraw/zinc/45/17/89/574451789.db2.gz SENLDYMOMTZLCQ-JGVFFNPUSA-N -2 3 290.254 1.270 20 0 CDADHL O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001601576152 1174905635 /nfs/dbraw/zinc/90/56/35/1174905635.db2.gz PCWJPGSBZIRAIN-IQIPOGNMSA-N -2 3 275.304 1.621 20 0 CDADHL O=C([O-])COc1ccc(C=Cc2nccc(=O)[n-]2)cc1 ZINC000764436897 575906869 /nfs/dbraw/zinc/90/68/69/575906869.db2.gz XANXTDLOXWNSBC-ZZXKWVIFSA-N -2 3 272.260 1.816 20 0 CDADHL Cc1cccc2c(=O)c(C(=O)NCCC(=O)[O-])c[n-]c12 ZINC000738747500 576108456 /nfs/dbraw/zinc/10/84/56/576108456.db2.gz HMZORTPIXIBHGJ-UHFFFAOYSA-N -2 3 274.276 1.041 20 0 CDADHL Cc1nonc1C(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000738957648 576142057 /nfs/dbraw/zinc/14/20/57/576142057.db2.gz WSLJFPCPMZHFES-UHFFFAOYSA-N -2 3 265.200 1.468 20 0 CDADHL Nc1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2)c([O-])c1 ZINC000013317236 601173456 /nfs/dbraw/zinc/17/34/56/601173456.db2.gz LHIJVFCUONBBLC-UHFFFAOYSA-N -2 3 286.287 1.603 20 0 CDADHL CC(C)C[C@@H](NC(=O)[O-])C(=O)Nc1ncccc1[O-] ZINC000833484945 605317735 /nfs/dbraw/zinc/31/77/35/605317735.db2.gz UITXJDLAPJZDGM-MRVPVSSYSA-N -2 3 267.285 1.408 20 0 CDADHL CO[C@H](CS(=O)(=O)[N-]c1n[n-]c(C(F)F)n1)C(C)C ZINC000903150820 625876339 /nfs/dbraw/zinc/87/63/39/625876339.db2.gz XELQZJXACCXHMZ-ZCFIWIBFSA-N -2 3 298.315 1.155 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@H]3CCC[C@@H]32)oc1C(=O)[O-] ZINC000903549686 626022243 /nfs/dbraw/zinc/02/22/43/626022243.db2.gz OTOPJJARGPBNNF-KXUCPTDWSA-N -2 3 299.348 1.753 20 0 CDADHL C[C@@H]1CC=CC[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000903554403 626024062 /nfs/dbraw/zinc/02/40/62/626024062.db2.gz MZLWMDGKXGIKKK-RKDXNWHRSA-N -2 3 285.321 1.611 20 0 CDADHL O=S(=O)(C[C@H]1CCCOC1)[N-]c1cc(F)ccc1[O-] ZINC000788138443 679150433 /nfs/dbraw/zinc/15/04/33/679150433.db2.gz CZTUVRYMKWCJEL-VIFPVBQESA-N -2 3 289.328 1.700 20 0 CDADHL C[C@@H]([N-]S(=O)(=O)c1occc1C(=O)[O-])C1CCC1 ZINC000871994642 679481841 /nfs/dbraw/zinc/48/18/41/679481841.db2.gz ZMYJVEZSLIQKOE-SSDOTTSWSA-N -2 3 273.310 1.445 20 0 CDADHL CC(C)OCCO[N-]C(=O)c1n[n-]c2ccccc2c1=O ZINC000812809124 678140142 /nfs/dbraw/zinc/14/01/42/678140142.db2.gz QSTFIODMCJQUQG-UHFFFAOYSA-N -2 3 291.307 1.422 20 0 CDADHL O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cnn[n-]1 ZINC000163695958 678895083 /nfs/dbraw/zinc/89/50/83/678895083.db2.gz CARKQWWLLVNMIB-UHFFFAOYSA-N -2 3 261.266 1.487 20 0 CDADHL O=C(Nc1ccc2[n-]c(=S)oc2c1)c1c[n-]nn1 ZINC000163695958 678895086 /nfs/dbraw/zinc/89/50/86/678895086.db2.gz CARKQWWLLVNMIB-UHFFFAOYSA-N -2 3 261.266 1.487 20 0 CDADHL O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cn[n-]n1 ZINC000163695958 678895087 /nfs/dbraw/zinc/89/50/87/678895087.db2.gz CARKQWWLLVNMIB-UHFFFAOYSA-N -2 3 261.266 1.487 20 0 CDADHL C[C@](CO)(NC(=O)c1cc([O-])c2ccccc2c1)C(=O)[O-] ZINC001604193085 1163120451 /nfs/dbraw/zinc/12/04/51/1163120451.db2.gz CTWLDRARYNBQBR-OAHLLOKOSA-N -2 3 289.287 1.111 20 0 CDADHL Cc1cc(NCC2(C(=O)[O-])CCC2)nc(-c2nnn[n-]2)c1 ZINC001605728662 1163654025 /nfs/dbraw/zinc/65/40/25/1163654025.db2.gz TYPAULBULLSWAN-UHFFFAOYSA-N -2 3 288.311 1.237 20 0 CDADHL O=C([O-])c1ncn(Cc2cc(=O)[n-]c(-c3ccccc3)n2)n1 ZINC001609002257 1164719334 /nfs/dbraw/zinc/71/93/34/1164719334.db2.gz KPDIQOMDHVUDAS-UHFFFAOYSA-N -2 3 297.274 1.187 20 0 CDADHL Cc1ccc([O-])c(CNC(C)(C)c2cc(C(=O)[O-])on2)n1 ZINC001610509328 1165334953 /nfs/dbraw/zinc/33/49/53/1165334953.db2.gz GPQDSGBVIIIQCW-UHFFFAOYSA-N -2 3 291.307 1.807 20 0 CDADHL O=C(Nc1ccccc1-c1nnn[n-]1)c1c([O-])cccc1F ZINC001631193433 1166259131 /nfs/dbraw/zinc/25/91/31/1166259131.db2.gz YFMDDBAXLMITKZ-UHFFFAOYSA-N -2 3 299.265 1.964 20 0 CDADHL O=C(Nc1ccccc1-c1nn[n-]n1)c1c([O-])cccc1F ZINC001631193433 1166259139 /nfs/dbraw/zinc/25/91/39/1166259139.db2.gz YFMDDBAXLMITKZ-UHFFFAOYSA-N -2 3 299.265 1.964 20 0 CDADHL O=C([O-])c1cncc(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000095233411 1166610887 /nfs/dbraw/zinc/61/08/87/1166610887.db2.gz LTIKWZINIPRLJZ-UHFFFAOYSA-N -2 3 267.248 1.627 20 0 CDADHL O=C([O-])c1cncc(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000095233411 1166610890 /nfs/dbraw/zinc/61/08/90/1166610890.db2.gz LTIKWZINIPRLJZ-UHFFFAOYSA-N -2 3 267.248 1.627 20 0 CDADHL CC[C@H](C)n1[n-]c(-c2cccc(-c3nn[n-]n3)c2)cc1=O ZINC001590412630 1173399067 /nfs/dbraw/zinc/39/90/67/1173399067.db2.gz NICVPDCJYQILTF-VIFPVBQESA-N -2 3 284.323 1.602 20 0 CDADHL Cc1ccc(-c2nnn[n-]2)c(NCC2(C(=O)[O-])CCC2)n1 ZINC001592084626 1173797535 /nfs/dbraw/zinc/79/75/35/1173797535.db2.gz WHBYLPWBRHJRJH-UHFFFAOYSA-N -2 3 288.311 1.237 20 0 CDADHL Cc1ccc(-c2nn[n-]n2)c(NCC2(C(=O)[O-])CCC2)n1 ZINC001592084626 1173797539 /nfs/dbraw/zinc/79/75/39/1173797539.db2.gz WHBYLPWBRHJRJH-UHFFFAOYSA-N -2 3 288.311 1.237 20 0 CDADHL Cc1ccc([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c(O)c1 ZINC001600463688 1174484155 /nfs/dbraw/zinc/48/41/55/1174484155.db2.gz GXDSJRLYTPKZLY-UHFFFAOYSA-N -2 3 287.337 1.553 20 0 CDADHL CSc1ccc([O-])c(C(=O)NC2(CC(=O)[O-])CC2)c1 ZINC001607410323 1164171313 /nfs/dbraw/zinc/17/13/13/1164171313.db2.gz VLMCIWVXTWBTCO-UHFFFAOYSA-N -2 3 281.333 1.851 20 0 CDADHL CCc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)c([O-])c1 ZINC001610060191 1165199438 /nfs/dbraw/zinc/19/94/38/1165199438.db2.gz HNFJAIGZRSJIII-UHFFFAOYSA-N -2 3 277.320 1.891 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)CCCc1cccs1 ZINC001601995111 1167813593 /nfs/dbraw/zinc/81/35/93/1167813593.db2.gz MHSMFCXIQTXMDJ-UHFFFAOYSA-N -2 3 271.338 1.983 20 0 CDADHL CC(C)(C)C(=O)OC1CC(OCCP(=O)([O-])[O-])C1 ZINC001224602220 909917265 /nfs/dbraw/zinc/91/72/65/909917265.db2.gz PBLCPTRXWCYTMR-UHFFFAOYSA-N -2 3 280.257 1.301 20 0 CDADHL Cc1ccc([O-])c(NC(=O)C(F)(F)C(F)(F)C(=O)[O-])n1 ZINC001180171148 916195093 /nfs/dbraw/zinc/19/50/93/916195093.db2.gz RPKHKTVNFLCKRC-UHFFFAOYSA-N -2 3 296.176 1.389 20 0 CDADHL O=C(C[C@H]1CCCCO1)NCCCCP(=O)([O-])[O-] ZINC001180413710 916354813 /nfs/dbraw/zinc/35/48/13/916354813.db2.gz LYFVHUBLACLPOR-SNVBAGLBSA-N -2 3 279.273 1.020 20 0 CDADHL CCOC(=O)c1cnc(NC(=O)c2ccc([O-])c(F)c2)[n-]1 ZINC001186202206 919919952 /nfs/dbraw/zinc/91/99/52/919919952.db2.gz METFPSSNXILQOC-UHFFFAOYSA-N -2 3 293.254 1.683 20 0 CDADHL CCOC(=O)c1c[n-]c(NC(=O)c2ccc([O-])c(F)c2)n1 ZINC001186202206 919919965 /nfs/dbraw/zinc/91/99/65/919919965.db2.gz METFPSSNXILQOC-UHFFFAOYSA-N -2 3 293.254 1.683 20 0 CDADHL [CH2]CC[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC001187985496 920768542 /nfs/dbraw/zinc/76/85/42/920768542.db2.gz UCHSRINSLVOQHK-UHFFFAOYSA-N -2 3 268.145 1.891 20 0 CDADHL O=S(=O)([N-]c1cc([O-])c(Cl)cc1F)c1ncc[nH]1 ZINC001190722191 922154935 /nfs/dbraw/zinc/15/49/35/922154935.db2.gz RRJOTPZTEYHZCS-UHFFFAOYSA-N -2 3 291.691 1.709 20 0 CDADHL Cc1cc(O)cc([O-])c1C(=O)Nc1cc(=O)[n-]c(Cl)n1 ZINC001193923137 923988108 /nfs/dbraw/zinc/98/81/08/923988108.db2.gz WVKYJFSZVVFQBG-UHFFFAOYSA-N -2 3 295.682 1.808 20 0 CDADHL O=C1[N-]S(=O)(=O)c2ccc(-c3ccc([O-])c(F)c3)cc21 ZINC001240785532 925932805 /nfs/dbraw/zinc/93/28/05/925932805.db2.gz DCGZUENSNNFGOS-UHFFFAOYSA-N -2 3 293.275 1.630 20 0 CDADHL O=P([O-])([O-])CCCCO[C@H]1CCOC[C@@H]1F ZINC001225020955 941814274 /nfs/dbraw/zinc/81/42/74/941814274.db2.gz YPAOSSXXWYGDQZ-IUCAKERBSA-N -2 3 256.210 1.088 20 0 CDADHL CCOC(=O)[C@H]1CCC[C@H]1OCCCCP(=O)([O-])[O-] ZINC001225022371 941816344 /nfs/dbraw/zinc/81/63/44/941816344.db2.gz NYHJVTZAKKVTJS-WDEREUQCSA-N -2 3 294.284 1.693 20 0 CDADHL [S-]c1[n-]c(O[C@H]2CCCOC2)nc2ncnc1-2 ZINC001226780792 942067767 /nfs/dbraw/zinc/06/77/67/942067767.db2.gz UYQFTCJXWQCROD-LURJTMIESA-N -2 3 252.299 1.199 20 0 CDADHL CC[C@H]1CCCC[C@@H]1Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233934616 943693682 /nfs/dbraw/zinc/69/36/82/943693682.db2.gz MFHMHPZQJGNWEM-WPRPVWTQSA-N -2 3 262.313 1.994 20 0 CDADHL COc1ccc([C@H](C)Oc2[n-]c(=O)nc3cn[n-]c32)cn1 ZINC001233939627 943695826 /nfs/dbraw/zinc/69/58/26/943695826.db2.gz MBWVCGKMCHZUNQ-ZETCQYMHSA-N -2 3 287.279 1.190 20 0 CDADHL Cc1ccc([O-])c([N-]S(=O)(=O)CCC(F)(F)F)n1 ZINC001259866296 945668300 /nfs/dbraw/zinc/66/83/00/945668300.db2.gz UFQNEXPWZZSKKU-UHFFFAOYSA-N -2 3 284.259 1.790 20 0 CDADHL CC[C@H](C)S(=O)(=O)[N-]c1cc(C(=O)OC)ccc1[O-] ZINC001260738177 945881480 /nfs/dbraw/zinc/88/14/80/945881480.db2.gz JJLLQLSRDFKSSL-QMMMGPOBSA-N -2 3 287.337 1.719 20 0 CDADHL O=C([O-])c1cnc(F)c(-c2cncc(-c3nnn[n-]3)c2)c1 ZINC001244763371 947464837 /nfs/dbraw/zinc/46/48/37/947464837.db2.gz YLKIWDIITFIVKN-UHFFFAOYSA-N -2 3 286.226 1.161 20 0 CDADHL O=C([O-])c1cnc(F)c(-c2cncc(-c3nn[n-]n3)c2)c1 ZINC001244763371 947464842 /nfs/dbraw/zinc/46/48/42/947464842.db2.gz YLKIWDIITFIVKN-UHFFFAOYSA-N -2 3 286.226 1.161 20 0 CDADHL O=c1cc(-c2ccccn2)[n-]n1-c1cc(=O)[n-]cn1 ZINC001245914728 947843595 /nfs/dbraw/zinc/84/35/95/947843595.db2.gz HFDQNZZWAHQGLY-UHFFFAOYSA-N -2 3 255.237 1.136 20 0 CDADHL CCC[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)OC ZINC000378850631 971586742 /nfs/dbraw/zinc/58/67/42/971586742.db2.gz VOOXIVHCYQIMBE-QMMMGPOBSA-N -2 3 291.325 1.071 20 0 CDADHL O=S(=O)([N-]c1cncc([O-])c1)c1cccs1 ZINC001250867260 950436648 /nfs/dbraw/zinc/43/66/48/950436648.db2.gz ILYLCLMJBVPQQO-UHFFFAOYSA-N -2 3 256.308 1.650 20 0 CDADHL O=C([O-])C1(CNC(=O)c2cc(=O)[n-]c(C3CC3)n2)CCC1 ZINC001594741449 953363970 /nfs/dbraw/zinc/36/39/70/953363970.db2.gz URDGMWMOLBGOIT-UHFFFAOYSA-N -2 3 291.307 1.044 20 0 CDADHL COc1cccc([O-])c1C(=O)N(CC(=O)[O-])CC1CC1 ZINC000404725128 953380712 /nfs/dbraw/zinc/38/07/12/953380712.db2.gz NEWCGVVBNKQUJI-UHFFFAOYSA-N -2 3 279.292 1.338 20 0 CDADHL COc1cccc([O-])c1C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000404725614 953381228 /nfs/dbraw/zinc/38/12/28/953381228.db2.gz NNOKVRNKNMMWAC-AWEZNQCLSA-N -2 3 279.292 1.338 20 0 CDADHL O=C([O-])[C@H](CC(F)(F)F)NC(=O)c1ccccc1[O-] ZINC000311588046 963493655 /nfs/dbraw/zinc/49/36/55/963493655.db2.gz FRSRTIKXETWRGN-ZETCQYMHSA-N -2 3 277.198 1.528 20 0 CDADHL C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CS1 ZINC000397811968 973023426 /nfs/dbraw/zinc/02/34/26/973023426.db2.gz POFPTJBIFPXAFA-NKWVEPMBSA-N -2 3 291.350 1.150 20 0 CDADHL O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)c1ccccc1[O-] ZINC000405339978 973835176 /nfs/dbraw/zinc/83/51/76/973835176.db2.gz MHHHJBNDQSDOLU-GXSJLCMTSA-N -2 3 263.293 1.765 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@]23C[C@H]2CCC3)o1 ZINC000693554222 976643170 /nfs/dbraw/zinc/64/31/70/976643170.db2.gz QXCXPDLXPHRDQI-PELKAZGASA-N -2 3 285.321 1.446 20 0 CDADHL CC[C@@H](C)[C@@H](OC(=O)c1cncc([O-])c1)C(=O)[O-] ZINC001594926833 982517053 /nfs/dbraw/zinc/51/70/53/982517053.db2.gz KXKVSHIOMAEGQQ-GMSGAONNSA-N -2 3 253.254 1.443 20 0 CDADHL C[C@@H]1C[C@H](C(=O)Nc2cc(Cl)ccc2[O-])O[C@H]1C(=O)[O-] ZINC001599875662 989414870 /nfs/dbraw/zinc/41/48/70/989414870.db2.gz HLMFYJAWNFCNLK-DIMCTHFVSA-N -2 3 299.710 1.862 20 0 CDADHL CC[C@H](C(=O)[O-])C(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001604873351 1163361779 /nfs/dbraw/zinc/36/17/79/1163361779.db2.gz JDGOXKFBNPDKHH-QMMMGPOBSA-N -2 3 291.307 1.013 20 0 CDADHL CS(=O)(=O)[N-]c1cccnc1SCCC(=O)[O-] ZINC001599762340 992139609 /nfs/dbraw/zinc/13/96/09/992139609.db2.gz MBRCWJWBLSBECW-UHFFFAOYSA-N -2 3 276.339 1.020 20 0 CDADHL Cc1[n-][nH]c(=O)c1CCNc1ncc(C(=O)[O-])cc1Cl ZINC001594113579 998226315 /nfs/dbraw/zinc/22/63/15/998226315.db2.gz LPOQDJWTLSFAAA-QMMMGPOBSA-N -2 3 296.714 1.357 20 0 CDADHL CC(C)OCCO[N-]C(=O)C(=O)c1ccc([O-])cc1 ZINC000812806744 1163735379 /nfs/dbraw/zinc/73/53/79/1163735379.db2.gz NMKADWBLYUNNPR-UHFFFAOYSA-N -2 3 267.281 1.048 20 0 CDADHL CC(C)(C)[C@@H](NC(=O)c1ccc2n[n-]nc2c1)C(=O)[O-] ZINC000035389673 539138532 /nfs/dbraw/zinc/13/85/32/539138532.db2.gz PTDKFFIITGJPNE-JTQLQIEISA-N -2 3 276.296 1.187 20 0 CDADHL O=C([O-])C1([N-]S(=O)(=O)c2cccs2)CCC1 ZINC000088048787 357383600 /nfs/dbraw/zinc/38/36/00/357383600.db2.gz FFYUUHRKOIHUFD-UHFFFAOYSA-N -2 3 261.324 1.034 20 0 CDADHL COc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)c([O-])c1 ZINC000019439902 358062241 /nfs/dbraw/zinc/06/22/41/358062241.db2.gz ABYPFYXEIPGHMT-VIFPVBQESA-N -2 3 279.292 1.338 20 0 CDADHL CC1([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CCCCC1 ZINC000564923892 358239873 /nfs/dbraw/zinc/23/98/73/358239873.db2.gz WPSAPULJLPICNY-UHFFFAOYSA-N -2 3 287.337 1.979 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CCC[C@@H](C)[C@H]2C(=O)[O-])n1 ZINC000424273613 359987765 /nfs/dbraw/zinc/98/77/65/359987765.db2.gz TZXAEQFXCGHASL-RNCFNFMXSA-N -2 3 279.340 1.430 20 0 CDADHL O=C(N=c1cc(-c2ccccc2)[n-][nH]1)c1cncc([O-])c1 ZINC000348798053 360626489 /nfs/dbraw/zinc/62/64/89/360626489.db2.gz GEZILMJLTMNCKT-UHFFFAOYSA-N -2 3 280.287 1.852 20 0 CDADHL CCCN(CC(=O)[O-])Cc1nc(CC)cc(=O)[n-]1 ZINC000184908520 189398753 /nfs/dbraw/zinc/39/87/53/189398753.db2.gz AWPHAUVLCYILGH-UHFFFAOYSA-N -2 3 253.302 1.041 20 0 CDADHL O=c1[n-]nc([C@H]2CCCN(Cc3ncccc3[O-])C2)o1 ZINC000582308884 370389990 /nfs/dbraw/zinc/38/99/90/370389990.db2.gz AXCHQHPBNHWSIE-VIFPVBQESA-N -2 3 276.296 1.255 20 0 CDADHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000277360333 193630582 /nfs/dbraw/zinc/63/05/82/193630582.db2.gz YFBXWAUCWDKWOE-QMMMGPOBSA-N -2 3 275.326 1.447 20 0 CDADHL CC[C@H](Sc1nc2c(cnn2C)c(=O)[n-]1)C(=O)[O-] ZINC000581610675 373128262 /nfs/dbraw/zinc/12/82/62/373128262.db2.gz ZFBMHEVOXPWAGI-LURJTMIESA-N -2 3 268.298 1.024 20 0 CDADHL Cc1cccc([O-])c1C(=O)NCCCc1cc(=O)[nH][n-]1 ZINC000627312663 374205474 /nfs/dbraw/zinc/20/54/74/374205474.db2.gz FMPVBGCGLRJMRP-UHFFFAOYSA-N -2 3 275.308 1.087 20 0 CDADHL Cc1nc([N-]C(=O)c2cc(F)c(F)c([O-])c2F)nn1C ZINC000344508620 376521803 /nfs/dbraw/zinc/52/18/03/376521803.db2.gz DNAUKXXXYKCSLU-UHFFFAOYSA-N -2 3 286.213 1.499 20 0 CDADHL O=C([O-])c1ccc(F)cc1[N-]S(=O)(=O)C1CC1 ZINC000080935510 390830762 /nfs/dbraw/zinc/83/07/62/390830762.db2.gz XGTAKSFAMZEKBV-UHFFFAOYSA-N -2 3 259.258 1.428 20 0 CDADHL COC(=O)c1ccc(C(=O)Nc2ccc(F)cc2[O-])[n-]1 ZINC000343885568 152340250 /nfs/dbraw/zinc/34/02/50/152340250.db2.gz HTGJTHHFCGYWHS-UHFFFAOYSA-N -2 3 278.239 1.898 20 0 CDADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@]12C[C@@H]1CCC2 ZINC000656719411 413597581 /nfs/dbraw/zinc/59/75/81/413597581.db2.gz XESGFAUELHATCM-WKEGUHRASA-N -2 3 288.350 1.062 20 0 CDADHL CSc1ccc([O-])c(C(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000663025995 413834561 /nfs/dbraw/zinc/83/45/61/413834561.db2.gz DNJQNGSVRJVJNG-JTQLQIEISA-N -2 3 297.332 1.040 20 0 CDADHL CO[C@@](C)(C(=O)[O-])C(=O)Nc1ccc(C)cc1[O-] ZINC000663039861 413848988 /nfs/dbraw/zinc/84/89/88/413848988.db2.gz XRAFSZZFWBCRIK-GFCCVEGCSA-N -2 3 253.254 1.129 20 0 CDADHL O=C([O-])C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000037406062 173181776 /nfs/dbraw/zinc/18/17/76/173181776.db2.gz XYTKIUDQRCLYIV-UHFFFAOYSA-N -2 3 284.120 1.356 20 0 CDADHL Cc1cc(=O)[n-]c([C@@H](C)N2CCC[C@@](C)(C(=O)[O-])C2)n1 ZINC000518200408 260355574 /nfs/dbraw/zinc/35/55/74/260355574.db2.gz JFTLLBYFPVBKST-QMTHXVAHSA-N -2 3 279.340 1.738 20 0 CDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccoc1)c1ccccc1F ZINC000551909852 290024911 /nfs/dbraw/zinc/02/49/11/290024911.db2.gz HINOZWVNPVFFTM-LLVKDONJSA-N -2 3 299.279 1.523 20 0 CDADHL CCC[C@](C)(NCc1nc(-c2nnn[n-]2)cs1)C(=O)[O-] ZINC001590543571 1173458263 /nfs/dbraw/zinc/45/82/63/1173458263.db2.gz OKSSNMOLKBNPQP-NSHDSACASA-N -2 3 296.356 1.056 20 0 CDADHL CCC[C@](C)(NCc1nc(-c2nn[n-]n2)cs1)C(=O)[O-] ZINC001590543571 1173458268 /nfs/dbraw/zinc/45/82/68/1173458268.db2.gz OKSSNMOLKBNPQP-NSHDSACASA-N -2 3 296.356 1.056 20 0 CDADHL O=C([O-])c1ccc(CC[N-]S(=O)(=O)c2ccco2)cc1 ZINC000562310888 293133243 /nfs/dbraw/zinc/13/32/43/293133243.db2.gz VLMLIFNUYBRPCD-UHFFFAOYSA-N -2 3 295.316 1.499 20 0 CDADHL Cc1cc(=O)[n-]c([C@H](C)N2CCSC[C@H]2CC(=O)[O-])n1 ZINC000569128989 294164671 /nfs/dbraw/zinc/16/46/71/294164671.db2.gz FZOZEZCUOAWBEB-VHSXEESVSA-N -2 3 297.380 1.444 20 0 CDADHL CC1(C)C[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000569841357 316861546 /nfs/dbraw/zinc/86/15/46/316861546.db2.gz SIMWQLDKMPRUQP-QMMMGPOBSA-N -2 3 273.310 1.302 20 0 CDADHL CC(=O)c1ccc(C(=O)N[C@H](C(=O)[O-])C(C)C)cc1[O-] ZINC000575311782 316984438 /nfs/dbraw/zinc/98/44/38/316984438.db2.gz XLTSTTGKYIVSQK-LBPRGKRZSA-N -2 3 279.292 1.434 20 0 CDADHL Cc1csc(S(=O)(=O)[N-]CC[C@@H](C)CC(=O)[O-])c1 ZINC000582285636 324945669 /nfs/dbraw/zinc/94/56/69/324945669.db2.gz UWMMSUZVHDHWPP-MRVPVSSYSA-N -2 3 291.394 1.836 20 0 CDADHL O=C([O-])C1(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000095159593 482311157 /nfs/dbraw/zinc/31/11/57/482311157.db2.gz XQKGPNGAJSWJHR-UHFFFAOYSA-N -2 3 287.279 1.060 20 0 CDADHL O=C([O-])C1(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000095159593 482311161 /nfs/dbraw/zinc/31/11/61/482311161.db2.gz XQKGPNGAJSWJHR-UHFFFAOYSA-N -2 3 287.279 1.060 20 0 CDADHL C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000052276336 525499633 /nfs/dbraw/zinc/49/96/33/525499633.db2.gz UZNOTGSZNSYTDU-HZGVNTEJSA-N -2 3 273.285 1.211 20 0 CDADHL Cc1cccc([C@@H](CC(=O)[O-])NC(=O)c2cn[n-]n2)c1 ZINC001600516151 1174493644 /nfs/dbraw/zinc/49/36/44/1174493644.db2.gz LDQIHPRDTWPPIL-SNVBAGLBSA-N -2 3 274.280 1.059 20 0 CDADHL O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1n[n-]c(-c2cccs2)n1 ZINC000739552626 576252456 /nfs/dbraw/zinc/25/24/56/576252456.db2.gz JHGTWNAYOHFINT-PHDIDXHHSA-N -2 3 278.293 1.192 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)Cc1cccc2cccnc21 ZINC001601995962 1175104650 /nfs/dbraw/zinc/10/46/50/1175104650.db2.gz XHZPPEHOEDPMDE-UHFFFAOYSA-N -2 3 288.303 1.690 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)CCC(=O)c1cccc(F)c1 ZINC001601995744 1175104813 /nfs/dbraw/zinc/10/48/13/1175104813.db2.gz UNFTYGHHVPOAQE-UHFFFAOYSA-N -2 3 297.282 1.701 20 0 CDADHL CCc1cccc(C(=O)N(C)[C@@H](C)C(=O)[O-])c1[O-] ZINC000820485790 598146158 /nfs/dbraw/zinc/14/61/58/598146158.db2.gz PAILIDNMNZCLPK-QMMMGPOBSA-N -2 3 251.282 1.500 20 0 CDADHL O=C([O-])C[C@H]1CCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000833209926 604686550 /nfs/dbraw/zinc/68/65/50/604686550.db2.gz OKEPCRPVUQCCHW-SNVBAGLBSA-N -2 3 296.298 1.680 20 0 CDADHL C[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)C[C@@H](C(=O)[O-])O1 ZINC000910230166 628916038 /nfs/dbraw/zinc/91/60/38/628916038.db2.gz HZCXCVMQHSJODU-HQJQHLMTSA-N -2 3 299.710 1.360 20 0 CDADHL COc1ccc(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])c([O-])c1 ZINC000910434523 629064223 /nfs/dbraw/zinc/06/42/23/629064223.db2.gz JCRKXKXPEAAQMH-XVKPBYJWSA-N -2 3 283.255 1.038 20 0 CDADHL O=C([O-])c1ccc(CCC(=O)[N-]OC[C@H]2CCOC2)cc1 ZINC000911801719 629530649 /nfs/dbraw/zinc/53/06/49/629530649.db2.gz CVBFVZMAIWMJCZ-LBPRGKRZSA-N -2 3 293.319 1.402 20 0 CDADHL CC1(C)C[C@@]1(C)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000701975034 679712417 /nfs/dbraw/zinc/71/24/17/679712417.db2.gz VUEVTPLMWMZDJH-LBPRGKRZSA-N -2 3 287.337 1.692 20 0 CDADHL COc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)c([O-])c1 ZINC000313757595 683896302 /nfs/dbraw/zinc/89/63/02/683896302.db2.gz HROPGLVFJVGUKK-MWLCHTKSSA-N -2 3 293.319 1.584 20 0 CDADHL CC(C)[C@@H]([N-]S(=O)(=O)c1occc1C(=O)[O-])C1CC1 ZINC000871995221 683971977 /nfs/dbraw/zinc/97/19/77/683971977.db2.gz NREXOLMLYXHTEQ-SNVBAGLBSA-N -2 3 287.337 1.691 20 0 CDADHL Cc1cc(=O)[n-]c(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)n1 ZINC000846270840 684053713 /nfs/dbraw/zinc/05/37/13/684053713.db2.gz OALPBWJGOXKJAZ-ZDUSSCGKSA-N -2 3 299.330 1.675 20 0 CDADHL O=C([O-])c1nccc(NCCc2c(F)cc([O-])cc2F)n1 ZINC001608999585 1164716350 /nfs/dbraw/zinc/71/63/50/1164716350.db2.gz HMOFRWBFBGPYCF-UHFFFAOYSA-N -2 3 295.245 1.235 20 0 CDADHL O=C([O-])c1ccc(CC(=O)[N-]OC2CCOCC2)cc1 ZINC001610674036 1165403745 /nfs/dbraw/zinc/40/37/45/1165403745.db2.gz KYEASKRFXROGFV-UHFFFAOYSA-N -2 3 279.292 1.154 20 0 CDADHL CC(C)[C@@H](CNc1cnccc1-c1nnn[n-]1)C(=O)[O-] ZINC001589460679 1173146834 /nfs/dbraw/zinc/14/68/34/1173146834.db2.gz RCJXIXTZBPXKAK-SECBINFHSA-N -2 3 276.300 1.030 20 0 CDADHL CC(C)[C@@H](CNc1cnccc1-c1nn[n-]n1)C(=O)[O-] ZINC001589460679 1173146838 /nfs/dbraw/zinc/14/68/38/1173146838.db2.gz RCJXIXTZBPXKAK-SECBINFHSA-N -2 3 276.300 1.030 20 0 CDADHL Cc1oc(C(=O)[O-])cc1C(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC001600719975 1174579612 /nfs/dbraw/zinc/57/96/12/1174579612.db2.gz UHGDQXBGAOMNHO-UHFFFAOYSA-N -2 3 293.235 1.048 20 0 CDADHL Cc1nocc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)(C)C ZINC001600817930 1174627096 /nfs/dbraw/zinc/62/70/96/1174627096.db2.gz GIQNCWKTFFGAOI-VIFPVBQESA-N -2 3 290.341 1.151 20 0 CDADHL O=C([O-])c1ccnc(NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC001601362077 1174846168 /nfs/dbraw/zinc/84/61/68/1174846168.db2.gz WPULNSTXZWNXEF-UHFFFAOYSA-N -2 3 290.250 1.806 20 0 CDADHL C/C(=C/c1ccccn1)C(=O)[N-]OCCCC(=O)[O-] ZINC001602986176 1175472124 /nfs/dbraw/zinc/47/21/24/1175472124.db2.gz WRUFJZYXHCHZBK-KTKRTIGZSA-N -2 3 264.281 1.398 20 0 CDADHL CC(C)([N-]S(=O)(=O)c1occc1C(=O)[O-])C1CCC1 ZINC001603686292 1175597202 /nfs/dbraw/zinc/59/72/02/1175597202.db2.gz RGLUCSOIVOEAMC-UHFFFAOYSA-N -2 3 287.337 1.835 20 0 CDADHL COC1CCC(CC(=O)[N-]OCCCC(=O)[O-])CC1 ZINC001606728848 1163974600 /nfs/dbraw/zinc/97/46/00/1163974600.db2.gz FRQWHBPFGRRVSS-UHFFFAOYSA-N -2 3 273.329 1.494 20 0 CDADHL CON(C(=O)c1ccccc1[O-])[C@@H](C)CC(=O)[O-] ZINC001606988314 1164051800 /nfs/dbraw/zinc/05/18/00/1164051800.db2.gz RVQHHEDWMCXTFS-QMMMGPOBSA-N -2 3 253.254 1.259 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)C[C@H]1CC[C@H](C2CC2)O1 ZINC001608715680 1164617914 /nfs/dbraw/zinc/61/79/14/1164617914.db2.gz ALVKCBSWNLIISM-GHMZBOCLSA-N -2 3 271.313 1.247 20 0 CDADHL O=C([O-])c1nnc(NC(=O)Cc2ccc([O-])c(F)c2)s1 ZINC001574302864 1167635070 /nfs/dbraw/zinc/63/50/70/1167635070.db2.gz QXMAXKSPGDUAEP-UHFFFAOYSA-N -2 3 297.267 1.262 20 0 CDADHL COc1cc(C(=O)[O-])ccc1Nc1cnc[n-]c1=O ZINC001174674861 913281199 /nfs/dbraw/zinc/28/11/99/913281199.db2.gz OUFQJZTZPHFFII-UHFFFAOYSA-N -2 3 261.237 1.633 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])NC1CCCC1 ZINC001185914934 919816679 /nfs/dbraw/zinc/81/66/79/919816679.db2.gz ZQZJCYYEDDAVSO-UHFFFAOYSA-N -2 3 264.262 1.186 20 0 CDADHL O=P([O-])([O-])CCCCO[C@H]1CCOC[C@H]1F ZINC001225020953 941815097 /nfs/dbraw/zinc/81/50/97/941815097.db2.gz YPAOSSXXWYGDQZ-BDAKNGLRSA-N -2 3 256.210 1.088 20 0 CDADHL C[C@H]1CC[C@H](NC(=O)NCCP(=O)([O-])[O-])CC1 ZINC001191837454 922788735 /nfs/dbraw/zinc/78/87/35/922788735.db2.gz WQZNVCGNRWJPBC-KYZUINATSA-N -2 3 264.262 1.042 20 0 CDADHL CCCCCCNC(=S)NCCCCP(=O)([O-])[O-] ZINC001200959161 926170221 /nfs/dbraw/zinc/17/02/21/926170221.db2.gz WBXUASDOTZYJNZ-UHFFFAOYSA-N -2 3 296.373 1.989 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])Nc1cccc(F)c1 ZINC001202235780 926511016 /nfs/dbraw/zinc/51/10/16/926511016.db2.gz IOBQXJNEEYZDMT-UHFFFAOYSA-N -2 3 290.231 1.905 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1cc2cccnn2c1 ZINC001154592105 937563088 /nfs/dbraw/zinc/56/30/88/937563088.db2.gz ZLEANJBRPVTOJD-UHFFFAOYSA-N -2 3 297.251 1.022 20 0 CDADHL O=C(CC1=CCCCC1)NCCCCP(=O)([O-])[O-] ZINC001146749165 932304572 /nfs/dbraw/zinc/30/45/72/932304572.db2.gz MOLBAEXWSPIBCB-UHFFFAOYSA-N -2 3 275.285 1.951 20 0 CDADHL O=P([O-])([O-])CCCCNS(=O)(=O)C1CCCCC1 ZINC001259817680 935890297 /nfs/dbraw/zinc/89/02/97/935890297.db2.gz ZLCBOCOCGOXBFM-UHFFFAOYSA-N -2 3 299.329 1.196 20 0 CDADHL O=C([O-])c1sccc1Nc1c(O)nc[n-]c1=O ZINC001215390414 940882717 /nfs/dbraw/zinc/88/27/17/940882717.db2.gz YBLIOOSVPTZVBP-UHFFFAOYSA-N -2 3 253.239 1.391 20 0 CDADHL CO[C@H](C)CO[C@@H](C)COCCCCP(=O)([O-])[O-] ZINC001225020545 941814728 /nfs/dbraw/zinc/81/47/28/941814728.db2.gz PMHVVQLTPHQETI-MNOVXSKESA-N -2 3 284.289 1.401 20 0 CDADHL C[C@@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1cccnc1 ZINC001233933621 943693750 /nfs/dbraw/zinc/69/37/50/943693750.db2.gz DQIBAGOOCHMJRA-SSDOTTSWSA-N -2 3 257.253 1.181 20 0 CDADHL O=S(=O)([N-]c1ncc([O-])cc1Cl)c1cccnc1 ZINC001259603122 945599694 /nfs/dbraw/zinc/59/96/94/945599694.db2.gz MLLAECLVCXDANC-UHFFFAOYSA-N -2 3 285.712 1.636 20 0 CDADHL O=C1[N-]S(=O)(=O)c2cc(-c3ccc([O-])c(F)c3)ccc21 ZINC001240786880 946036716 /nfs/dbraw/zinc/03/67/16/946036716.db2.gz ZQAFGLMHZJXJMT-UHFFFAOYSA-N -2 3 293.275 1.630 20 0 CDADHL CCCS(=O)(=O)[N-]c1cccc(C(C)=O)c1[O-] ZINC001253698105 952037339 /nfs/dbraw/zinc/03/73/39/952037339.db2.gz GMCKOILLYJQSIX-UHFFFAOYSA-N -2 3 257.311 1.747 20 0 CDADHL COc1cccc([O-])c1C(=O)NCCCCCC(=O)[O-] ZINC000404714687 953381144 /nfs/dbraw/zinc/38/11/44/953381144.db2.gz GQWNDDGJSWKMBO-UHFFFAOYSA-N -2 3 281.308 1.776 20 0 CDADHL Cn1nccc1[C@H](NCc1cccc([O-])c1Cl)C(=O)[O-] ZINC001594594759 956077432 /nfs/dbraw/zinc/07/74/32/956077432.db2.gz ILWNNWRSTBHOAJ-LBPRGKRZSA-N -2 3 295.726 1.695 20 0 CDADHL COc1ccc(C(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])c([O-])c1 ZINC000070522728 957677114 /nfs/dbraw/zinc/67/71/14/957677114.db2.gz JLQYTQZAAOVOQS-MWLCHTKSSA-N -2 3 279.292 1.384 20 0 CDADHL CON(C(=O)c1ccc(C)c(C)c1[O-])[C@H](C)C(=O)[O-] ZINC001594039886 957855352 /nfs/dbraw/zinc/85/53/52/957855352.db2.gz QONUNXRMUFBEIS-SECBINFHSA-N -2 3 267.281 1.486 20 0 CDADHL O=C([O-])C1CCC(NC(=O)c2cccc(O)c2[O-])CC1 ZINC000125999818 958577401 /nfs/dbraw/zinc/57/74/01/958577401.db2.gz YUTADNZJCUPIGP-UHFFFAOYSA-N -2 3 279.292 1.471 20 0 CDADHL C[C@H](NC(=O)c1cc2sccc2c([O-])c1)C(=O)[O-] ZINC001594238310 959517224 /nfs/dbraw/zinc/51/72/24/959517224.db2.gz PPYFZGXKXWXYAC-LURJTMIESA-N -2 3 265.290 1.810 20 0 CDADHL C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1ccc(O)cc1[O-] ZINC000235345280 960416185 /nfs/dbraw/zinc/41/61/85/960416185.db2.gz QLTVCAOEQMTVDF-RKDXNWHRSA-N -2 3 279.292 1.423 20 0 CDADHL CC(C)[C@H](C(=O)[O-])C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001588808032 961490499 /nfs/dbraw/zinc/49/04/99/961490499.db2.gz NLHWXTKOGMVOQS-NSHDSACASA-N -2 3 293.323 1.033 20 0 CDADHL O=C(Nc1c[n-][nH]c1=O)c1c([O-])cccc1Cl ZINC001558988336 965384912 /nfs/dbraw/zinc/38/49/12/965384912.db2.gz MOSCSYLJBXWAFZ-UHFFFAOYSA-N -2 3 253.645 1.727 20 0 CDADHL O=C([O-])C[C@@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000126005948 967621527 /nfs/dbraw/zinc/62/15/27/967621527.db2.gz ILQDFXJDTVXPOJ-VIFPVBQESA-N -2 3 279.292 1.567 20 0 CDADHL C[C@@](CC(=O)[O-])([N-]S(=O)(=O)c1cscn1)C1CC1 ZINC001592333919 977776046 /nfs/dbraw/zinc/77/60/46/977776046.db2.gz LEQQVNDZGSABSR-JTQLQIEISA-N -2 3 290.366 1.065 20 0 CDADHL O=C([O-])c1ccc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)nc1 ZINC001595222044 980056208 /nfs/dbraw/zinc/05/62/08/980056208.db2.gz QCHVXGWQTUNISP-UHFFFAOYSA-N -2 3 298.258 1.614 20 0 CDADHL CC(C)(C)c1coc([N-]C(=O)c2cc(C(=O)[O-])no2)n1 ZINC001573475612 983045433 /nfs/dbraw/zinc/04/54/33/983045433.db2.gz TXCZEJMHTNGPNN-UHFFFAOYSA-N -2 3 279.252 1.911 20 0 CDADHL O=C([O-])c1cc(C(=O)NCc2ccc([O-])c(F)c2)on1 ZINC001574409309 983238075 /nfs/dbraw/zinc/23/80/75/983238075.db2.gz WNMWNCCBCUISMW-UHFFFAOYSA-N -2 3 280.211 1.148 20 0 CDADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccccc1F ZINC000123921697 342065941 /nfs/dbraw/zinc/06/59/41/342065941.db2.gz AFXJXGRQUMYQBQ-VIFPVBQESA-N -2 3 289.328 1.605 20 0 CDADHL O=C(N=c1ccc([O-])n[n-]1)C1(Oc2ccccc2F)CC1 ZINC000441298530 361997351 /nfs/dbraw/zinc/99/73/51/361997351.db2.gz WBSRCPBEILGHAT-UHFFFAOYSA-N -2 3 289.266 1.293 20 0 CDADHL CCc1ccc([O-])c(C(=O)NC(C)(C)c2nnn[n-]2)c1 ZINC000354882216 365751008 /nfs/dbraw/zinc/75/10/08/365751008.db2.gz SPNYRKWSOVPNTA-UHFFFAOYSA-N -2 3 275.312 1.133 20 0 CDADHL CCc1ccc([O-])c(C(=O)NC(C)(C)c2nn[n-]n2)c1 ZINC000354882216 365751013 /nfs/dbraw/zinc/75/10/13/365751013.db2.gz SPNYRKWSOVPNTA-UHFFFAOYSA-N -2 3 275.312 1.133 20 0 CDADHL CC(C)[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)C(=O)[O-] ZINC000036972766 346340973 /nfs/dbraw/zinc/34/09/73/346340973.db2.gz LLXSVZOLRWAFBE-GFCCVEGCSA-N -2 3 288.303 1.367 20 0 CDADHL C[C@H](CN(C)C(=O)c1cc([O-])ccc1Cl)c1nnn[n-]1 ZINC000293486705 370654919 /nfs/dbraw/zinc/65/49/19/370654919.db2.gz LWSNGFMVQSQRRZ-SSDOTTSWSA-N -2 3 295.730 1.434 20 0 CDADHL C[C@H](CN(C)C(=O)c1cc([O-])ccc1Cl)c1nn[n-]n1 ZINC000293486705 370654922 /nfs/dbraw/zinc/65/49/22/370654922.db2.gz LWSNGFMVQSQRRZ-SSDOTTSWSA-N -2 3 295.730 1.434 20 0 CDADHL Cc1ccc(C(=O)N2CCSC[C@@H]2CC(=O)[O-])c([O-])c1 ZINC000091128074 180099327 /nfs/dbraw/zinc/09/93/27/180099327.db2.gz DNFOECYNALGSPD-JTQLQIEISA-N -2 3 295.360 1.733 20 0 CDADHL C[C@H]([C@@H]([N-]S(=O)(=O)c1ccco1)C(=O)[O-])C1CC1 ZINC000558686782 290416774 /nfs/dbraw/zinc/41/67/74/290416774.db2.gz VFGFVDTUQRUJML-OIBJUYFYSA-N -2 3 273.310 1.057 20 0 CDADHL C/C=C\C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000634653260 356640939 /nfs/dbraw/zinc/64/09/39/356640939.db2.gz OWRSSDKAZAPRMH-MXQLGCADSA-N -2 3 287.312 1.523 20 0 CDADHL O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000634816463 358812642 /nfs/dbraw/zinc/81/26/42/358812642.db2.gz QWYCUONNYGYPQM-RNFRBKRXSA-N -2 3 255.657 1.705 20 0 CDADHL Cc1cc([N-]S(=O)(=O)c2ccc([O-])cc2)no1 ZINC000013602392 359145381 /nfs/dbraw/zinc/14/53/81/359145381.db2.gz RLFQVIBCZPHHSW-UHFFFAOYSA-N -2 3 254.267 1.489 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)c(F)c1 ZINC000296852977 200015706 /nfs/dbraw/zinc/01/57/06/200015706.db2.gz CREQNGOAZLBNTH-UHFFFAOYSA-N -2 3 287.312 1.277 20 0 CDADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cnc(C)s1)C(=O)[O-] ZINC000230276113 360280560 /nfs/dbraw/zinc/28/05/60/360280560.db2.gz YZUXPDXTRIBVLJ-RCOVLWMOSA-N -2 3 292.382 1.229 20 0 CDADHL Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)[N-]OCC1CC1 ZINC000293673987 370742265 /nfs/dbraw/zinc/74/22/65/370742265.db2.gz AISGDTIQAOCLAI-UHFFFAOYSA-N -2 3 279.340 1.860 20 0 CDADHL C[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000159588144 364238029 /nfs/dbraw/zinc/23/80/29/364238029.db2.gz AXKBNOZSOKZBGK-LURJTMIESA-N -2 3 295.719 1.478 20 0 CDADHL Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)c([O-])c1 ZINC000092915973 139692080 /nfs/dbraw/zinc/69/20/80/139692080.db2.gz KDFDRVFFNCQTDZ-ZJUUUORDSA-N -2 3 263.293 1.636 20 0 CDADHL C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000567298452 370947907 /nfs/dbraw/zinc/94/79/07/370947907.db2.gz XOBFUSFBBRWULI-ZJUUUORDSA-N -2 3 289.353 1.837 20 0 CDADHL C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000564922860 370299397 /nfs/dbraw/zinc/29/93/97/370299397.db2.gz HLYBHNOQAHPMOQ-WPRPVWTQSA-N -2 3 287.337 1.835 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2C=CCCC2)o1 ZINC000572599299 371257629 /nfs/dbraw/zinc/25/76/29/371257629.db2.gz YCDBFDJZOPZWLF-QMMMGPOBSA-N -2 3 271.294 1.365 20 0 CDADHL CC(C)CC[C@@H](C)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000037732065 374031601 /nfs/dbraw/zinc/03/16/01/374031601.db2.gz PTOJHHWIRDFZRG-MRVPVSSYSA-N -2 3 289.357 1.211 20 0 CDADHL Cc1ccc([O-])c(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC000062912825 378249257 /nfs/dbraw/zinc/24/92/57/378249257.db2.gz JVVLYSQSQBTXBD-CQSZACIVSA-N -2 3 263.293 1.637 20 0 CDADHL C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])c2c([O-])cccc21 ZINC000647741409 391047975 /nfs/dbraw/zinc/04/79/75/391047975.db2.gz FYKAGBHSHVSUMX-JMJZKYOTSA-N -2 3 275.304 1.953 20 0 CDADHL C[C@H]([C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)[O-])C1CC1 ZINC000548990700 391900175 /nfs/dbraw/zinc/90/01/75/391900175.db2.gz CHSKRRCNDHDSIP-OIBJUYFYSA-N -2 3 289.378 1.526 20 0 CDADHL Cc1[n-][nH]c(=O)c1NC(=O)c1csc(=NC2CC2)[n-]1 ZINC000646412769 392425563 /nfs/dbraw/zinc/42/55/63/392425563.db2.gz NEUZJMIXRBNXEJ-UHFFFAOYSA-N -2 3 279.325 1.129 20 0 CDADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2ccco2)o1 ZINC000517646493 392906326 /nfs/dbraw/zinc/90/63/26/392906326.db2.gz DLXXXAZWYJPFGF-UHFFFAOYSA-N -2 3 271.250 1.049 20 0 CDADHL CC(C)C[C@H](C)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134673991 393276887 /nfs/dbraw/zinc/27/68/87/393276887.db2.gz AWYJUXCUYMFDRB-ZETCQYMHSA-N -2 3 292.382 1.554 20 0 CDADHL O=C([O-])CCCC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000070198375 397896105 /nfs/dbraw/zinc/89/61/05/397896105.db2.gz OTCGKMDLHXBKSF-UHFFFAOYSA-N -2 3 293.291 1.498 20 0 CDADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@]23C[C@@H]2CCC3)c1 ZINC000656715907 413596089 /nfs/dbraw/zinc/59/60/89/413596089.db2.gz CPBGZSCLEALDOT-KWQFWETISA-N -2 3 287.362 1.667 20 0 CDADHL Cc1csc(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)c1 ZINC000654776061 413702128 /nfs/dbraw/zinc/70/21/28/413702128.db2.gz SGEOVJOKZSHMJS-UHFFFAOYSA-N -2 3 275.351 1.342 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC2CCCC2)o1 ZINC000037258383 173069305 /nfs/dbraw/zinc/06/93/05/173069305.db2.gz UDMUXDMDZDMYFX-UHFFFAOYSA-N -2 3 273.310 1.446 20 0 CDADHL Cc1cnc(C[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)o1 ZINC000185038414 262301477 /nfs/dbraw/zinc/30/14/77/262301477.db2.gz BOJFIHBWJAKOJC-UHFFFAOYSA-N -2 3 296.304 1.160 20 0 CDADHL O=C([O-])CCC1CCN(c2nc3nncc-3c(O)[n-]2)CC1 ZINC000519161965 265349228 /nfs/dbraw/zinc/34/92/28/265349228.db2.gz VFGFXVYNNCHUNW-UHFFFAOYSA-N -2 3 291.311 1.140 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC2CC=CC2)o1 ZINC000530153452 271117041 /nfs/dbraw/zinc/11/70/41/271117041.db2.gz VMYLVDDUKDEKFX-UHFFFAOYSA-N -2 3 271.294 1.222 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]CC2CC=CC2)cc1C(=O)[O-] ZINC000530153936 271117790 /nfs/dbraw/zinc/11/77/90/271117790.db2.gz YCHLZCISSGDRNZ-UHFFFAOYSA-N -2 3 285.321 1.531 20 0 CDADHL CC[C@@](C)([N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000086796976 279252983 /nfs/dbraw/zinc/25/29/83/279252983.db2.gz DFUKFIQAYHGTED-SECBINFHSA-N -2 3 263.340 1.280 20 0 CDADHL C[C@H](C[N-]S(=O)(=O)c1cccs1)CC(=O)[O-] ZINC000087980860 279257161 /nfs/dbraw/zinc/25/71/61/279257161.db2.gz OMOMUMPKIGAGOU-ZETCQYMHSA-N -2 3 263.340 1.137 20 0 CDADHL Cc1csc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CCC2)c1 ZINC000562643686 293163507 /nfs/dbraw/zinc/16/35/07/293163507.db2.gz ALTCRCOUSBEEAR-SNVBAGLBSA-N -2 3 289.378 1.588 20 0 CDADHL CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1ccc(C)o1)C(=O)[O-] ZINC000573365611 294804029 /nfs/dbraw/zinc/80/40/29/294804029.db2.gz ZXRMVAZMIDKJMO-WPRPVWTQSA-N -2 3 289.353 1.756 20 0 CDADHL CCc1cc(=O)[n-]c(CN2C[C@@H](C)[C@](C)(C(=O)[O-])C2)n1 ZINC000583877650 325259705 /nfs/dbraw/zinc/25/97/05/325259705.db2.gz TXBWTEUKXNBHNO-YMTOWFKASA-N -2 3 279.340 1.287 20 0 CDADHL CC(C)[C@@H](CNC(=O)c1ccccc1[O-])C(=O)[O-] ZINC000087478283 482858356 /nfs/dbraw/zinc/85/83/56/482858356.db2.gz VKLXSEQSWIEJRZ-SNVBAGLBSA-N -2 3 251.282 1.479 20 0 CDADHL Cc1cc(=O)[n-]c(N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)n1 ZINC001600285892 1174438922 /nfs/dbraw/zinc/43/89/22/1174438922.db2.gz SVEYGFQVWJNBPC-IONNQARKSA-N -2 3 251.286 1.038 20 0 CDADHL COc1cccc(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)c1[O-] ZINC000738083181 576037514 /nfs/dbraw/zinc/03/75/14/576037514.db2.gz NFPGFKDLGWQFLI-VIFPVBQESA-N -2 3 294.307 1.273 20 0 CDADHL CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(OC)cc1[O-] ZINC000828637989 601134523 /nfs/dbraw/zinc/13/45/23/601134523.db2.gz BYMSEBXDDDTACR-AWEZNQCLSA-N -2 3 281.308 1.774 20 0 CDADHL CC[C@](C)(CC(=O)[O-])NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000828628954 601462315 /nfs/dbraw/zinc/46/23/15/601462315.db2.gz WHORSRRTTLOGGA-CQSZACIVSA-N -2 3 295.339 1.101 20 0 CDADHL CC(C)C[C@@H](CNC(=O)c1c([O-])cccc1O)C(=O)[O-] ZINC000232429804 604774121 /nfs/dbraw/zinc/77/41/21/604774121.db2.gz KOQXBKTYFBJRPA-VIFPVBQESA-N -2 3 281.308 1.575 20 0 CDADHL CCc1ccc(C(=O)NCCc2n[n-]c(=S)o2)c([O-])c1 ZINC000841425122 618687524 /nfs/dbraw/zinc/68/75/24/618687524.db2.gz YMJHLCJVEATEFG-UHFFFAOYSA-N -2 3 293.348 1.599 20 0 CDADHL C/C=C\C[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909048092 628490378 /nfs/dbraw/zinc/49/03/78/628490378.db2.gz LMHTVSYKBRDMMJ-OTDNITJGSA-N -2 3 296.298 1.750 20 0 CDADHL O=C([O-])C1(O)CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000386837145 684821364 /nfs/dbraw/zinc/82/13/64/684821364.db2.gz SXDWVTOSHVZXLL-UHFFFAOYSA-N -2 3 299.710 1.097 20 0 CDADHL O=C([O-])CCCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000016481573 685740881 /nfs/dbraw/zinc/74/08/81/685740881.db2.gz ZOXRUHXFJVRNIC-UHFFFAOYSA-N -2 3 275.268 1.060 20 0 CDADHL O=C([O-])CCCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000016481573 685740888 /nfs/dbraw/zinc/74/08/88/685740888.db2.gz ZOXRUHXFJVRNIC-UHFFFAOYSA-N -2 3 275.268 1.060 20 0 CDADHL O=C([O-])[C@@H]1CC[C@H]([N-]C(=O)C(F)(F)C(F)F)C1 ZINC000230916632 685982820 /nfs/dbraw/zinc/98/28/20/685982820.db2.gz WJCXGKDVVTVLMY-UHNVWZDZSA-N -2 3 257.183 1.256 20 0 CDADHL CC(C)[S@](C)(=O)=NC(=O)c1ccc([O-])cc1[O-] ZINC000926056990 686765106 /nfs/dbraw/zinc/76/51/06/686765106.db2.gz QWZJJSCQTLHLFH-KRWDZBQOSA-N -2 3 257.311 1.744 20 0 CDADHL C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC001604633116 1163256559 /nfs/dbraw/zinc/25/65/59/1163256559.db2.gz HUFVRJKZGLAZJY-WCBMZHEXSA-N -2 3 296.298 1.536 20 0 CDADHL Cc1cc(=O)[n-]c(NCC2(C(=O)[O-])CCCC2)n1 ZINC001607698728 1164273110 /nfs/dbraw/zinc/27/31/10/1164273110.db2.gz FPGBARJJGRSBBT-UHFFFAOYSA-N -2 3 251.286 1.548 20 0 CDADHL O=C([O-])c1ccc(C(=O)NCc2ncccc2[O-])c(F)c1 ZINC001608875186 1164668657 /nfs/dbraw/zinc/66/86/57/1164668657.db2.gz VRYUOOUYUYGOAY-UHFFFAOYSA-N -2 3 290.250 1.555 20 0 CDADHL O=C([O-])CCCNc1cccc(Cl)c1-c1nnn[n-]1 ZINC000095150750 1166598739 /nfs/dbraw/zinc/59/87/39/1166598739.db2.gz WBFJLBDQNPAWRV-UHFFFAOYSA-N -2 3 281.703 1.797 20 0 CDADHL O=C([O-])CCCNc1cccc(Cl)c1-c1nn[n-]n1 ZINC000095150750 1166598740 /nfs/dbraw/zinc/59/87/40/1166598740.db2.gz WBFJLBDQNPAWRV-UHFFFAOYSA-N -2 3 281.703 1.797 20 0 CDADHL O=C([O-])C1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC001593276199 1174044878 /nfs/dbraw/zinc/04/48/78/1174044878.db2.gz HTWGRXAPMZOLLR-UHFFFAOYSA-N -2 3 291.286 1.307 20 0 CDADHL O=C([O-])C1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC001593276199 1174044885 /nfs/dbraw/zinc/04/48/85/1174044885.db2.gz HTWGRXAPMZOLLR-UHFFFAOYSA-N -2 3 291.286 1.307 20 0 CDADHL O=C([O-])CC1(Nc2ccc(-c3nn[n-]n3)cc2F)CCC1 ZINC001593275796 1174047196 /nfs/dbraw/zinc/04/71/96/1174047196.db2.gz FJNIHXHFOJOFRL-UHFFFAOYSA-N -2 3 291.286 1.815 20 0 CDADHL O=C([O-])c1ccc(CNc2cc(-c3nnn[n-]3)ccn2)cc1 ZINC001593283128 1174049429 /nfs/dbraw/zinc/04/94/29/1174049429.db2.gz LQYDBQUSMXSAAP-UHFFFAOYSA-N -2 3 296.290 1.572 20 0 CDADHL O=C([O-])c1ccc(CNc2cc(-c3nn[n-]n3)ccn2)cc1 ZINC001593283128 1174049435 /nfs/dbraw/zinc/04/94/35/1174049435.db2.gz LQYDBQUSMXSAAP-UHFFFAOYSA-N -2 3 296.290 1.572 20 0 CDADHL O=C([O-])[C@@H](NC(=O)c1ccc(O)cc1[O-])c1ccccn1 ZINC001601402499 1174855782 /nfs/dbraw/zinc/85/57/82/1174855782.db2.gz SIWAMKGQYBEHEE-LBPRGKRZSA-N -2 3 288.259 1.049 20 0 CDADHL O=C([O-])c1cncc(NC(=O)NCc2ncccc2[O-])c1 ZINC001601551957 1174898693 /nfs/dbraw/zinc/89/86/93/1174898693.db2.gz JVMYIZPVBOBJHZ-UHFFFAOYSA-N -2 3 288.263 1.202 20 0 CDADHL C/C(=C\CSc1nc2c(cnn2C)c(=O)[n-]1)C(=O)[O-] ZINC001602982052 1175471925 /nfs/dbraw/zinc/47/19/25/1175471925.db2.gz SSNNRNWDXVXGQO-ZZXKWVIFSA-N -2 3 280.309 1.192 20 0 CDADHL CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cc(=O)[n-]cn2)C1 ZINC001603252892 1175526854 /nfs/dbraw/zinc/52/68/54/1175526854.db2.gz KVCUZFJSYYYHFD-VIFPVBQESA-N -2 3 293.323 1.145 20 0 CDADHL CCC[C@H](CNC(=O)c1c([O-])cccc1OC)C(=O)[O-] ZINC000404911770 1186548592 /nfs/dbraw/zinc/54/85/92/1186548592.db2.gz FOXBUNDQCPYTJT-SECBINFHSA-N -2 3 281.308 1.632 20 0 CDADHL Cn1cc(CN(CCC(=O)[O-])CC(=O)[O-])c(C(C)(C)C)n1 ZINC001608114541 1164414474 /nfs/dbraw/zinc/41/44/74/1164414474.db2.gz ZIQNQFYTFYBMRL-UHFFFAOYSA-N -2 3 297.355 1.079 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)Cc1c[nH]c2cc(F)ccc12 ZINC001608716489 1164619348 /nfs/dbraw/zinc/61/93/48/1164619348.db2.gz PLMKWGAHDXHRAK-UHFFFAOYSA-N -2 3 294.282 1.762 20 0 CDADHL Cc1ccc(OC[C@@H](C)OCCP(=O)([O-])[O-])cc1 ZINC001224602222 909915324 /nfs/dbraw/zinc/91/53/24/909915324.db2.gz PCRUXZUGHZZGJR-LLVKDONJSA-N -2 3 274.253 1.957 20 0 CDADHL C[C@@H](NC(=O)NCCP(=O)([O-])[O-])C1CCCCC1 ZINC001186353055 919987236 /nfs/dbraw/zinc/98/72/36/919987236.db2.gz CYQGHCBFYSVSQO-SECBINFHSA-N -2 3 278.289 1.432 20 0 CDADHL C[C@@H]1COCC[C@H]1OCCCCP(=O)([O-])[O-] ZINC001225019305 941815388 /nfs/dbraw/zinc/81/53/88/941815388.db2.gz CJFBQSIGXAUKHQ-NXEZZACHSA-N -2 3 252.247 1.386 20 0 CDADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc([O-])c(F)c1F ZINC001192841837 923294047 /nfs/dbraw/zinc/29/40/47/923294047.db2.gz CHPHGKPSDVHPLZ-UHFFFAOYSA-N -2 3 297.261 1.380 20 0 CDADHL CC(C)CCOC(=O)[C@@H](C)OCCCCP(=O)([O-])[O-] ZINC001225018908 941814673 /nfs/dbraw/zinc/81/46/73/941814673.db2.gz LIJMSJIRKYJHQL-LLVKDONJSA-N -2 3 296.300 1.939 20 0 CDADHL COC(=O)C1CCC(OCCCCP(=O)([O-])[O-])CC1 ZINC001225021139 941814550 /nfs/dbraw/zinc/81/45/50/941814550.db2.gz DVLXBJOTUJCLMR-UHFFFAOYSA-N -2 3 294.284 1.693 20 0 CDADHL C[C@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1ccccc1F ZINC001233936209 943694911 /nfs/dbraw/zinc/69/49/11/943694911.db2.gz XQFYJCRNXAGCGA-ZETCQYMHSA-N -2 3 274.255 1.925 20 0 CDADHL O=S(=O)([N-]c1cncc([O-])c1)c1ccc2c(c1)CCO2 ZINC001259350010 945561177 /nfs/dbraw/zinc/56/11/77/945561177.db2.gz LHIPVTGKVUOJCH-UHFFFAOYSA-N -2 3 292.316 1.523 20 0 CDADHL CC(C)CNC(=S)NCCCCP(=O)([O-])[O-] ZINC001245260774 947611978 /nfs/dbraw/zinc/61/19/78/947611978.db2.gz JWNLSYASDYUTPO-UHFFFAOYSA-N -2 3 268.319 1.064 20 0 CDADHL COc1cccc(Cc2cc(=O)n(-c3cc(=O)[n-]cn3)[n-]2)c1 ZINC001245939148 947856676 /nfs/dbraw/zinc/85/66/76/947856676.db2.gz DFFURIBQRLPWIY-UHFFFAOYSA-N -2 3 298.302 1.673 20 0 CDADHL Cc1ccc(C(=O)Nc2cc(C(=O)[O-])n[nH]2)c([O-])c1 ZINC000080670311 949011179 /nfs/dbraw/zinc/01/11/79/949011179.db2.gz YGSGNULGXYYAFM-UHFFFAOYSA-N -2 3 261.237 1.374 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]c2cncc([O-])c2)cc1 ZINC001252093285 951136286 /nfs/dbraw/zinc/13/62/86/951136286.db2.gz WPFVXSIXDPWRIE-UHFFFAOYSA-N -2 3 264.306 1.896 20 0 CDADHL COc1cccc([O-])c1[N-]S(=O)(=O)C(F)(F)F ZINC001252355092 951209880 /nfs/dbraw/zinc/20/98/80/951209880.db2.gz KPQUZPBTIQWCGB-UHFFFAOYSA-N -2 3 271.216 1.662 20 0 CDADHL CC(C)c1ccoc1C(=O)NCc1nc([O-])cc(=O)[n-]1 ZINC001363150841 971927888 /nfs/dbraw/zinc/92/78/88/971927888.db2.gz PGTVDOKAIXSEFA-UHFFFAOYSA-N -2 3 277.280 1.534 20 0 CDADHL Cn1nc(C(=O)[O-])cc1C[N-]c1nnc(C(F)F)o1 ZINC001594574937 955908554 /nfs/dbraw/zinc/90/85/54/955908554.db2.gz JXXOGDXGUFTPIR-UHFFFAOYSA-N -2 3 273.199 1.051 20 0 CDADHL COc1cc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cc(OC)c1[O-] ZINC001594051449 957996436 /nfs/dbraw/zinc/99/64/36/957996436.db2.gz PXJZHUYNPGPCNI-DTORHVGOSA-N -2 3 295.291 1.002 20 0 CDADHL Cc1cc(=O)[n-]c(NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)n1 ZINC001594326709 958179690 /nfs/dbraw/zinc/17/96/90/958179690.db2.gz IJBQPISZULINKR-XIRUVYRFSA-N -2 3 293.323 1.315 20 0 CDADHL Cc1nc(N2CCC(CCC(=O)[O-])CC2)cc(=O)[n-]1 ZINC000163132297 959226995 /nfs/dbraw/zinc/22/69/95/959226995.db2.gz BPKFLGXIZWMDIZ-UHFFFAOYSA-N -2 3 265.313 1.572 20 0 CDADHL CN(CCCC(=O)[O-])CC(=O)[N-]OCc1ccccc1 ZINC001604161649 972576358 /nfs/dbraw/zinc/57/63/58/972576358.db2.gz LLNGFQHXGWXYMH-UHFFFAOYSA-N -2 3 280.324 1.031 20 0 CDADHL COc1cccc([O-])c1C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000404661625 973741583 /nfs/dbraw/zinc/74/15/83/973741583.db2.gz WOISHMBSVCJPBG-RKDXNWHRSA-N -2 3 279.292 1.194 20 0 CDADHL CC(C)OC(=O)c1cc(NC(=O)[C@@H](C)CC(=O)[O-])[n-]n1 ZINC001591685627 975482868 /nfs/dbraw/zinc/48/28/68/975482868.db2.gz KIRSNGBEJPWOKD-ZETCQYMHSA-N -2 3 283.284 1.024 20 0 CDADHL CC(C)OC(=O)c1cc(NC(=O)[C@@H](C)CC(=O)[O-])n[n-]1 ZINC001591685627 975482871 /nfs/dbraw/zinc/48/28/71/975482871.db2.gz KIRSNGBEJPWOKD-ZETCQYMHSA-N -2 3 283.284 1.024 20 0 CDADHL O=C([O-])C[C@@H](CNC(=O)c1ccccc1[O-])C1CC1 ZINC000690494550 976308264 /nfs/dbraw/zinc/30/82/64/976308264.db2.gz MUKITNKSRONADW-JTQLQIEISA-N -2 3 263.293 1.623 20 0 CDADHL Cc1cccc([O-])c1C(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000706610464 977357368 /nfs/dbraw/zinc/35/73/68/977357368.db2.gz QWASZSVZUKCILK-SNVBAGLBSA-N -2 3 263.293 1.684 20 0 CDADHL CC[C@H](C(=O)[O-])C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001594757570 981679210 /nfs/dbraw/zinc/67/92/10/981679210.db2.gz GVGJMJHHHODNIV-ZETCQYMHSA-N -2 3 297.311 1.414 20 0 CDADHL CC[C@H](C(=O)[O-])C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001594757570 981679214 /nfs/dbraw/zinc/67/92/14/981679214.db2.gz GVGJMJHHHODNIV-ZETCQYMHSA-N -2 3 297.311 1.414 20 0 CDADHL CCc1ccc(C(=O)N[C@]2(C(=O)[O-])CCSC2)c([O-])c1 ZINC001597500350 988055006 /nfs/dbraw/zinc/05/50/06/988055006.db2.gz KFHKMMHFDMXRHM-CQSZACIVSA-N -2 3 295.360 1.645 20 0 CDADHL CC(C)(C)n1ncc2c1nc(SCCC(=O)[O-])[n-]c2=O ZINC001590601197 990257185 /nfs/dbraw/zinc/25/71/85/990257185.db2.gz BBGJLEGBGLMSEI-UHFFFAOYSA-N -2 3 296.352 1.854 20 0 CDADHL CC(C)[C@@]1(C)C[C@H]1[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001591061313 991499531 /nfs/dbraw/zinc/49/95/31/991499531.db2.gz GPUBOYQUQMOAPO-BXKDBHETSA-N -2 3 287.337 1.691 20 0 CDADHL C[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001594359400 999358134 /nfs/dbraw/zinc/35/81/34/999358134.db2.gz GJWGBPAEHKDJQF-RKDXNWHRSA-N -2 3 287.337 1.692 20 0 CDADHL CCCCOc1ccc(C(=O)N[C@@H](C)C(=O)[O-])c([O-])c1 ZINC001574494393 1170987500 /nfs/dbraw/zinc/98/75/00/1170987500.db2.gz IXPIQYPCESOVBF-VIFPVBQESA-N -2 3 281.308 1.774 20 0 CDADHL CCC(CC)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000124750874 342065528 /nfs/dbraw/zinc/06/55/28/342065528.db2.gz SMGOQVWLPRHRNS-UHFFFAOYSA-N -2 3 275.326 1.692 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]CCCC(=O)[O-])c(F)c1F ZINC000629292313 361815648 /nfs/dbraw/zinc/81/56/48/361815648.db2.gz HZYGUGLATUGYDI-UHFFFAOYSA-N -2 3 293.291 1.416 20 0 CDADHL O=C([O-])CC1([N-]S(=O)(=O)c2ccco2)CCCCC1 ZINC000584838416 346451435 /nfs/dbraw/zinc/45/14/35/346451435.db2.gz SFUIPZLXJCRFKL-UHFFFAOYSA-N -2 3 287.337 1.736 20 0 CDADHL CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C)C(=O)[O-])nc2)n1 ZINC000263439272 359280564 /nfs/dbraw/zinc/28/05/64/359280564.db2.gz WJEHRNBEWWGNDB-MRVPVSSYSA-N -2 3 288.307 1.692 20 0 CDADHL CCc1cc(=O)[n-]c(CN(CC(=O)[O-])CC(C)C)n1 ZINC000566361170 370695345 /nfs/dbraw/zinc/69/53/45/370695345.db2.gz DROQYAGNJDKEAW-UHFFFAOYSA-N -2 3 267.329 1.287 20 0 CDADHL O=C(Nc1ccncc1[O-])c1ccc([O-])c(Cl)c1 ZINC000436663384 361553693 /nfs/dbraw/zinc/55/36/93/361553693.db2.gz IOSWYZHGMJCTKG-UHFFFAOYSA-N -2 3 264.668 1.820 20 0 CDADHL CCCC[C@H]([N-]S(=O)(=O)c1cscn1)C(=O)[O-] ZINC000573802549 371663333 /nfs/dbraw/zinc/66/33/33/371663333.db2.gz MOBVMPNFOYGXLA-ZETCQYMHSA-N -2 3 278.355 1.065 20 0 CDADHL O=C([O-])c1cccc(CN2CCC(C(=O)[O-])CC2)c1 ZINC000058006757 377851800 /nfs/dbraw/zinc/85/18/00/377851800.db2.gz ZOJLKVKWQKXRHE-UHFFFAOYSA-N -2 3 263.293 1.681 20 0 CDADHL CO[C@H](CS(=O)(=O)[N-]c1ccccc1[O-])C(C)C ZINC000647122568 390475391 /nfs/dbraw/zinc/47/53/91/390475391.db2.gz MDQCVJGZORVVLN-GFCCVEGCSA-N -2 3 273.354 1.805 20 0 CDADHL O=C(C=Cc1ccc(F)cc1)N=c1ccc([O-])n[n-]1 ZINC000493692833 392719053 /nfs/dbraw/zinc/71/90/53/392719053.db2.gz NNOJCLHFECGNSR-CLTKARDFSA-N -2 3 259.240 1.395 20 0 CDADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C1CCC1 ZINC000645971329 393440821 /nfs/dbraw/zinc/44/08/21/393440821.db2.gz BZMVVJFTBZHITB-ZETCQYMHSA-N -2 3 273.310 1.445 20 0 CDADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@H]1C=CCCC1 ZINC000645972788 393441745 /nfs/dbraw/zinc/44/17/45/393441745.db2.gz TXPXLGJYJJLGPG-ZETCQYMHSA-N -2 3 288.350 1.228 20 0 CDADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@H]1C=CCCC1 ZINC000645972708 393441797 /nfs/dbraw/zinc/44/17/97/393441797.db2.gz JLMVDOIXOBUUMA-ZETCQYMHSA-N -2 3 288.350 1.228 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCC2CCC2)o1 ZINC000656726288 413606234 /nfs/dbraw/zinc/60/62/34/413606234.db2.gz BZPOKOWXWAKITL-UHFFFAOYSA-N -2 3 287.337 1.836 20 0 CDADHL COc1ccc([O-])c(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])c1 ZINC000070523724 413999951 /nfs/dbraw/zinc/99/99/51/413999951.db2.gz MIXYIZVNKABDGN-KOLCDFICSA-N -2 3 279.292 1.384 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]CC2(C)CC2)oc1C(=O)[O-] ZINC000663422205 414245677 /nfs/dbraw/zinc/24/56/77/414245677.db2.gz BUTKJVHILDPNHJ-UHFFFAOYSA-N -2 3 273.310 1.365 20 0 CDADHL CC1(C)C[C@]1(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000663442570 414258260 /nfs/dbraw/zinc/25/82/60/414258260.db2.gz BVVUDFXNXZBDNO-NSHDSACASA-N -2 3 273.310 1.445 20 0 CDADHL O=C([O-])CC[C@@H](NC(=O)c1c[n-]nn1)c1ccccc1 ZINC000071215095 176086110 /nfs/dbraw/zinc/08/61/10/176086110.db2.gz GBCYMQXPMOXYGN-SNVBAGLBSA-N -2 3 274.280 1.141 20 0 CDADHL O=C([O-])CC[C@@H](NC(=O)c1cn[n-]n1)c1ccccc1 ZINC000071215095 176086111 /nfs/dbraw/zinc/08/61/11/176086111.db2.gz GBCYMQXPMOXYGN-SNVBAGLBSA-N -2 3 274.280 1.141 20 0 CDADHL O=C([O-])CC[C@@H](NC(=O)c1cnn[n-]1)c1ccccc1 ZINC000071215095 176086113 /nfs/dbraw/zinc/08/61/13/176086113.db2.gz GBCYMQXPMOXYGN-SNVBAGLBSA-N -2 3 274.280 1.141 20 0 CDADHL CC[C@H](C)N(CC(=O)[O-])C(=O)c1cccc(OC)c1[O-] ZINC000037589665 270224353 /nfs/dbraw/zinc/22/43/53/270224353.db2.gz VBLVEMCUIKVVCT-VIFPVBQESA-N -2 3 281.308 1.726 20 0 CDADHL CC(=O)c1cccc([N-]S(=O)(=O)C[C@H]2CCCO2)c1[O-] ZINC000555879710 290243779 /nfs/dbraw/zinc/24/37/79/290243779.db2.gz RYZBFIZUCDCMRJ-SNVBAGLBSA-N -2 3 299.348 1.516 20 0 CDADHL Cc1ccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c([O-])c1 ZINC000019423692 301498664 /nfs/dbraw/zinc/49/86/64/301498664.db2.gz UXCJXDAZQASXKH-LLVKDONJSA-N -2 3 263.293 1.780 20 0 CDADHL CC1([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CCC1 ZINC000563709314 316359811 /nfs/dbraw/zinc/35/98/11/316359811.db2.gz QYRCKNDHKTTXCU-UHFFFAOYSA-N -2 3 259.283 1.199 20 0 CDADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@H]1CC=CCC1 ZINC000566177410 316502544 /nfs/dbraw/zinc/50/25/44/316502544.db2.gz QMMRHBXPGGOBGN-ZETCQYMHSA-N -2 3 288.350 1.228 20 0 CDADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccccc1F ZINC000391760821 323823511 /nfs/dbraw/zinc/82/35/11/323823511.db2.gz HKWVXTJHDIIQID-VIFPVBQESA-N -2 3 289.328 1.747 20 0 CDADHL COc1ccc([O-])c(C(=O)N2CC[C@](F)(C(=O)[O-])C2)c1 ZINC000262258406 536818351 /nfs/dbraw/zinc/81/83/51/536818351.db2.gz YOKBFJYFZQFJNK-CYBMUJFWSA-N -2 3 283.255 1.040 20 0 CDADHL CN(CCC(=O)[O-])c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000095294395 1174519030 /nfs/dbraw/zinc/51/90/30/1174519030.db2.gz WVAPKSKYLKCOEQ-UHFFFAOYSA-N -2 3 281.703 1.431 20 0 CDADHL CN(CCC(=O)[O-])c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000095294395 1174519037 /nfs/dbraw/zinc/51/90/37/1174519037.db2.gz WVAPKSKYLKCOEQ-UHFFFAOYSA-N -2 3 281.703 1.431 20 0 CDADHL O=C([O-])[C@@H](CCF)[N-]C(=O)C(F)(F)c1ccccc1F ZINC001601645413 1174926989 /nfs/dbraw/zinc/92/69/89/1174926989.db2.gz QZDUMYAXZZVFEL-SECBINFHSA-N -2 3 293.216 1.847 20 0 CDADHL CCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)nc1)C(=O)[O-] ZINC000764917444 575964259 /nfs/dbraw/zinc/96/42/59/575964259.db2.gz SOWIYBOHJACKRP-MRVPVSSYSA-N -2 3 292.744 1.267 20 0 CDADHL O=C([O-])[C@H]1CCC[C@@H](C(=O)NCc2ncccc2[O-])C1 ZINC001601803846 1175014043 /nfs/dbraw/zinc/01/40/43/1175014043.db2.gz UCPDOUCFVFHWEV-ZJUUUORDSA-N -2 3 278.308 1.294 20 0 CDADHL O=C([O-])c1cccc(C(=O)Nc2ncccc2[O-])c1 ZINC000821550667 598153655 /nfs/dbraw/zinc/15/36/55/598153655.db2.gz MFONIQFQPHVOKU-UHFFFAOYSA-N -2 3 258.233 1.738 20 0 CDADHL Cc1cnccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000111238509 600520284 /nfs/dbraw/zinc/52/02/84/600520284.db2.gz AYRYSZPAFQXQGX-UHFFFAOYSA-N -2 3 292.316 1.889 20 0 CDADHL Cc1nc(NC(=O)c2ccc(N)cc2[O-])sc1C(=O)[O-] ZINC000833002246 601378708 /nfs/dbraw/zinc/37/87/08/601378708.db2.gz QWSPRYODHXZHPR-UHFFFAOYSA-N -2 3 293.304 1.690 20 0 CDADHL COc1ccc(C(=O)N[C@@H](CC(=O)[O-])C2CC2)c([O-])c1 ZINC000137153058 601563323 /nfs/dbraw/zinc/56/33/23/601563323.db2.gz RIOBIIFVXZTHMZ-NSHDSACASA-N -2 3 279.292 1.384 20 0 CDADHL C[C@]1(C(=O)[O-])CCN(C(=O)c2cc3c(cc2[O-])OCO3)C1 ZINC000828012649 602053276 /nfs/dbraw/zinc/05/32/76/602053276.db2.gz INACTDUNZYEXCY-AWEZNQCLSA-N -2 3 293.275 1.058 20 0 CDADHL CC[C@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)C(=O)[O-] ZINC000833643385 605053430 /nfs/dbraw/zinc/05/34/30/605053430.db2.gz VKGMHDBIKLYVCI-QMMMGPOBSA-N -2 3 283.280 1.002 20 0 CDADHL C[C@](NC(=O)Cc1ccc([O-])c(F)c1)(C(=O)[O-])C1CC1 ZINC000909324177 618010687 /nfs/dbraw/zinc/01/06/87/618010687.db2.gz XRZQTQBBPIQTJU-CQSZACIVSA-N -2 3 281.283 1.443 20 0 CDADHL CCc1ncc(S(=O)(=O)[N-]C/C=C(\C)C(=O)[O-])s1 ZINC000903047291 625818813 /nfs/dbraw/zinc/81/88/13/625818813.db2.gz LAOVYLAGJDHNAP-QPJJXVBHSA-N -2 3 290.366 1.015 20 0 CDADHL CC(=O)c1ccc(C(=O)N(CCC(=O)[O-])C(C)C)cc1[O-] ZINC000908962713 628437203 /nfs/dbraw/zinc/43/72/03/628437203.db2.gz JNWHXCPIQMJBHR-UHFFFAOYSA-N -2 3 293.319 1.920 20 0 CDADHL C[C@@H](C(=O)[O-])N(C(=O)NCc1ccc([O-])c(F)c1)C1CC1 ZINC000909047077 628489457 /nfs/dbraw/zinc/48/94/57/628489457.db2.gz DMFKSNWLUSOOHF-QMMMGPOBSA-N -2 3 296.298 1.678 20 0 CDADHL O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000909997000 628807274 /nfs/dbraw/zinc/80/72/74/628807274.db2.gz LDJKYDJTXPCWCR-XYPYZODXSA-N -2 3 295.310 1.833 20 0 CDADHL O=C([O-])C12CCC(CC1)N2C(=O)Cc1ccc([O-])c(F)c1 ZINC000910295038 629004016 /nfs/dbraw/zinc/00/40/16/629004016.db2.gz LBMPBVAPXXFZQM-UHFFFAOYSA-N -2 3 293.294 1.682 20 0 CDADHL O=C([O-])[C@@H]1[C@H](O)CCCN1C(=O)c1cc([O-])ccc1Cl ZINC000911640106 629360532 /nfs/dbraw/zinc/36/05/32/629360532.db2.gz WRWUAJRZPGNQLS-MNOVXSKESA-N -2 3 299.710 1.096 20 0 CDADHL O=C(N=c1nc(-c2ccccc2)[n-]s1)[N-]OCCO ZINC000790577217 692846947 /nfs/dbraw/zinc/84/69/47/692846947.db2.gz VPOMNXRDYSDKKP-UHFFFAOYSA-N -2 3 280.309 1.251 20 0 CDADHL O=C([O-])c1cccc(CNC2(c3nn[n-]n3)CCCC2)c1 ZINC000263385498 694793761 /nfs/dbraw/zinc/79/37/61/694793761.db2.gz CTLZFGUJDGEQFW-UHFFFAOYSA-N -2 3 287.323 1.457 20 0 CDADHL O=C([O-])c1cccc(CNC2(c3nnn[n-]3)CCCC2)c1 ZINC000263385498 694793762 /nfs/dbraw/zinc/79/37/62/694793762.db2.gz CTLZFGUJDGEQFW-UHFFFAOYSA-N -2 3 287.323 1.457 20 0 CDADHL O=C([N-]OC/C=C\Cl)c1cc(=O)[n-]c(C2CC2)n1 ZINC000848104697 694818933 /nfs/dbraw/zinc/81/89/33/694818933.db2.gz ANVNUOFCCBEHIA-RJRFIUFISA-N -2 3 269.688 1.474 20 0 CDADHL CSCCO[N-]C(=O)c1n[n-]c2ccccc2c1=O ZINC000794188044 694852917 /nfs/dbraw/zinc/85/29/17/694852917.db2.gz NWRULEZQEYQODH-UHFFFAOYSA-N -2 3 279.321 1.360 20 0 CDADHL Cc1cc(=O)[n-]c(N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)n1 ZINC001607700280 1164275076 /nfs/dbraw/zinc/27/50/76/1164275076.db2.gz ZCQJKOANRRILIC-INIZCTEOSA-N -2 3 299.330 1.723 20 0 CDADHL O=C([O-])c1cc(C(=O)Nc2ccccc2-c2nnn[n-]2)c[nH]1 ZINC001608521228 1164531705 /nfs/dbraw/zinc/53/17/05/1164531705.db2.gz UZFJBCFKFMZIGY-UHFFFAOYSA-N -2 3 298.262 1.145 20 0 CDADHL O=C([O-])c1cc(C(=O)Nc2ccccc2-c2nn[n-]n2)c[nH]1 ZINC001608521228 1164531710 /nfs/dbraw/zinc/53/17/10/1164531710.db2.gz UZFJBCFKFMZIGY-UHFFFAOYSA-N -2 3 298.262 1.145 20 0 CDADHL O=C([O-])[C@H]1[C@@H]2CN(C(=O)NCc3ccc([O-])c(F)c3)C[C@@H]21 ZINC001608816514 1164647341 /nfs/dbraw/zinc/64/73/41/1164647341.db2.gz OWTQSLMCJPQNIN-GDGBQDQQSA-N -2 3 294.282 1.003 20 0 CDADHL O=C([O-])c1cnc(NCc2cc(=O)[n-]c(C3CC3)n2)cn1 ZINC001574416925 1170976025 /nfs/dbraw/zinc/97/60/25/1170976025.db2.gz CUWWKBALZGISDB-UHFFFAOYSA-N -2 3 287.279 1.160 20 0 CDADHL CC(C)[C@H](CNc1ccc(-c2nnn[n-]2)nc1)C(=O)[O-] ZINC001589457604 1173145780 /nfs/dbraw/zinc/14/57/80/1173145780.db2.gz WCXSYNWEZYJABZ-VIFPVBQESA-N -2 3 276.300 1.030 20 0 CDADHL CC(C)[C@H](CNc1ccc(-c2nn[n-]n2)nc1)C(=O)[O-] ZINC001589457604 1173145786 /nfs/dbraw/zinc/14/57/86/1173145786.db2.gz WCXSYNWEZYJABZ-VIFPVBQESA-N -2 3 276.300 1.030 20 0 CDADHL CC[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)C(=O)[O-] ZINC001590446500 1173411786 /nfs/dbraw/zinc/41/17/86/1173411786.db2.gz SZAPJJNDHLROOX-LURJTMIESA-N -2 3 296.718 1.438 20 0 CDADHL CC[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)C(=O)[O-] ZINC001590446500 1173411788 /nfs/dbraw/zinc/41/17/88/1173411788.db2.gz SZAPJJNDHLROOX-LURJTMIESA-N -2 3 296.718 1.438 20 0 CDADHL CN(CC(=O)[O-])c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000095293983 1174522469 /nfs/dbraw/zinc/52/24/69/1174522469.db2.gz MAIINQYQKQFZBG-UHFFFAOYSA-N -2 3 267.676 1.041 20 0 CDADHL CN(CC(=O)[O-])c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000095293983 1174522473 /nfs/dbraw/zinc/52/24/73/1174522473.db2.gz MAIINQYQKQFZBG-UHFFFAOYSA-N -2 3 267.676 1.041 20 0 CDADHL O=C([O-])c1csc(NC(=O)NCc2ncccc2[O-])c1 ZINC001601551724 1174898724 /nfs/dbraw/zinc/89/87/24/1174898724.db2.gz AIPIXDZVXKKZCC-UHFFFAOYSA-N -2 3 293.304 1.869 20 0 CDADHL COc1cccc([O-])c1C(=O)N[C@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000404597404 1186527341 /nfs/dbraw/zinc/52/73/41/1186527341.db2.gz SGIDTPWHYRNKEF-XHDPSFHLSA-N -2 3 293.319 1.774 20 0 CDADHL O=C([O-])[C@]1(NC(=O)c2cc([O-])ccc2Cl)CCOC1 ZINC000236448816 723690888 /nfs/dbraw/zinc/69/08/88/723690888.db2.gz ZVCWNTSOOXWBPB-LBPRGKRZSA-N -2 3 285.683 1.019 20 0 CDADHL O=C([O-])C[C@@H](O)CNC(=O)c1cc2sccc2c([O-])c1 ZINC001608676332 1164599820 /nfs/dbraw/zinc/59/98/20/1164599820.db2.gz ZBCMMIVKKSRBFN-MRVPVSSYSA-N -2 3 295.316 1.172 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)CCSc1ccccn1 ZINC001608716626 1164618765 /nfs/dbraw/zinc/61/87/65/1164618765.db2.gz XDTLSFLQHCLENP-UHFFFAOYSA-N -2 3 284.337 1.476 20 0 CDADHL COC(=O)CCCS(=O)(=O)[N-]c1ccc(F)cc1[O-] ZINC000111058816 1166985183 /nfs/dbraw/zinc/98/51/83/1166985183.db2.gz HTKOXRPPNCVQAV-UHFFFAOYSA-N -2 3 291.300 1.226 20 0 CDADHL O=C([O-])C[C@H]1COCCN1C(=O)c1cc([O-])ccc1Cl ZINC000300180611 914243213 /nfs/dbraw/zinc/24/32/13/914243213.db2.gz CRDGNRKRNSGBIF-QMMMGPOBSA-N -2 3 299.710 1.361 20 0 CDADHL O=S(=O)([N-]c1ccc(F)c([O-])c1)c1nccs1 ZINC001187890012 920747072 /nfs/dbraw/zinc/74/70/72/920747072.db2.gz AAZGBTIQYHAKNM-UHFFFAOYSA-N -2 3 274.298 1.789 20 0 CDADHL O=C1CCC(S(=O)(=O)[N-]c2ccc(F)cc2[O-])CC1 ZINC001194794594 924340891 /nfs/dbraw/zinc/34/08/91/924340891.db2.gz QJJNWJBZMFAOPB-UHFFFAOYSA-N -2 3 287.312 1.785 20 0 CDADHL Cn1cnc([N-]C(=O)c2c([O-])c(F)c(F)c(F)c2F)n1 ZINC001195277593 924520679 /nfs/dbraw/zinc/52/06/79/924520679.db2.gz FMKRBNLPTWLFFQ-UHFFFAOYSA-N -2 3 290.176 1.329 20 0 CDADHL CCc1nn(C)cc1S(=O)(=O)[N-]c1cc([O-])cc(F)c1 ZINC000882709860 930062341 /nfs/dbraw/zinc/06/23/41/930062341.db2.gz IIJHMVBNQMTZLL-UHFFFAOYSA-N -2 3 299.327 1.628 20 0 CDADHL FC1(F)CC(Oc2nc3ncnc-3c([S-])[n-]2)C1 ZINC001226787197 942072596 /nfs/dbraw/zinc/07/25/96/942072596.db2.gz WJMCFOHSDNQGBY-UHFFFAOYSA-N -2 3 258.253 1.818 20 0 CDADHL C[C@@H](Oc1[n-]c(=O)nc2nc(Br)[n-]c21)C1CC1 ZINC001227593626 942191828 /nfs/dbraw/zinc/19/18/28/942191828.db2.gz FOGIJBNVVKNZSO-SCSAIBSYSA-N -2 3 299.128 1.998 20 0 CDADHL O=c1nc2cn[n-]c2c(O[C@@H]2CCCC[C@@H]2F)[n-]1 ZINC001233939922 943696906 /nfs/dbraw/zinc/69/69/06/943696906.db2.gz QOPXEDHNVIDIOP-POYBYMJQSA-N -2 3 252.249 1.306 20 0 CDADHL Cn1cc(S(=O)(=O)[N-]c2cc([O-])cc(Cl)c2)cn1 ZINC001259826614 945654186 /nfs/dbraw/zinc/65/41/86/945654186.db2.gz CSTMLLHTGQAHHG-UHFFFAOYSA-N -2 3 287.728 1.580 20 0 CDADHL CC(=O)c1cccc([N-]S(=O)(=O)C2CCOCC2)c1[O-] ZINC001259915320 945701032 /nfs/dbraw/zinc/70/10/32/945701032.db2.gz ZCZFRHPKAWSPMD-UHFFFAOYSA-N -2 3 299.348 1.516 20 0 CDADHL CCc1ccc(NC(=S)NCCP(=O)([O-])[O-])cc1 ZINC001247353725 948616910 /nfs/dbraw/zinc/61/69/10/948616910.db2.gz HLSCZOCMTNNFFD-UHFFFAOYSA-N -2 3 288.309 1.713 20 0 CDADHL CC(C)c1scnc1C(=O)NCc1nc([O-])cc(=O)[n-]1 ZINC001362720453 971559064 /nfs/dbraw/zinc/55/90/64/971559064.db2.gz BUDAQDMADWUPRR-UHFFFAOYSA-N -2 3 294.336 1.398 20 0 CDADHL O=C([O-])CCC(=O)Nc1cc(Br)ccc1[O-] ZINC000110329499 949218862 /nfs/dbraw/zinc/21/88/62/949218862.db2.gz KKGPZKAEKHJCHV-UHFFFAOYSA-N -2 3 288.097 1.958 20 0 CDADHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1cccc(F)c1Cl ZINC001364206136 954323354 /nfs/dbraw/zinc/32/33/54/954323354.db2.gz NMUDJRBIEJCPBD-UHFFFAOYSA-N -2 3 297.673 1.610 20 0 CDADHL O=C([O-])C[C@H]1CSCCN1C(=O)c1cccc(O)c1[O-] ZINC000126058414 958579834 /nfs/dbraw/zinc/57/98/34/958579834.db2.gz KULPFKFVHRDLJB-QMMMGPOBSA-N -2 3 297.332 1.130 20 0 CDADHL CC(C)[C@@H](C(=O)[O-])C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001588809166 961506519 /nfs/dbraw/zinc/50/65/19/961506519.db2.gz CUCHBRSYVMKLTP-SCSAIBSYSA-N -2 3 280.206 1.119 20 0 CDADHL CC(C)[C@@H](C(=O)[O-])C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC001588809166 961506532 /nfs/dbraw/zinc/50/65/32/961506532.db2.gz CUCHBRSYVMKLTP-SCSAIBSYSA-N -2 3 280.206 1.119 20 0 CDADHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1cccnc1C1CC1 ZINC001454190171 968442819 /nfs/dbraw/zinc/44/28/19/968442819.db2.gz QYKGXTFTAWXBFO-UHFFFAOYSA-N -2 3 286.291 1.090 20 0 CDADHL O=C([O-])C[N-]S(=O)(=O)c1cnc(-c2ccccc2)s1 ZINC001574371645 969858211 /nfs/dbraw/zinc/85/82/11/969858211.db2.gz HWIYQDCYEPDEAD-UHFFFAOYSA-N -2 3 298.345 1.173 20 0 CDADHL C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCc1ccc([O-])c(F)c1 ZINC001605035178 972649422 /nfs/dbraw/zinc/64/94/22/972649422.db2.gz YFYHXVMXQVBFNC-UHLUBPPHSA-N -2 3 267.256 1.258 20 0 CDADHL COC(=O)c1[n-]cnc1NC(=O)c1cccc(F)c1[O-] ZINC001417448077 973115863 /nfs/dbraw/zinc/11/58/63/973115863.db2.gz FSBQFWFPFJACQO-UHFFFAOYSA-N -2 3 279.227 1.293 20 0 CDADHL COC(=O)c1nc[n-]c1NC(=O)c1cccc(F)c1[O-] ZINC001417448077 973115872 /nfs/dbraw/zinc/11/58/72/973115872.db2.gz FSBQFWFPFJACQO-UHFFFAOYSA-N -2 3 279.227 1.293 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C2CC2)o1 ZINC000698298727 976887674 /nfs/dbraw/zinc/88/76/74/976887674.db2.gz NIRHTUYTMFLXGI-IUCAKERBSA-N -2 3 285.321 1.302 20 0 CDADHL CSc1nc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)n[n-]1 ZINC001599828765 988638358 /nfs/dbraw/zinc/63/83/58/988638358.db2.gz FVWIFTHCYFZSES-LJGSYFOKSA-N -2 3 284.341 1.356 20 0 CDADHL CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001573671780 1170726747 /nfs/dbraw/zinc/72/67/47/1170726747.db2.gz DZRHHAGDYMXTNW-NKWVEPMBSA-N -2 3 289.357 1.129 20 0 CDADHL CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000400385576 342279108 /nfs/dbraw/zinc/27/91/08/342279108.db2.gz JWWHVIDMZWGYCN-BDAKNGLRSA-N -2 3 291.394 1.916 20 0 CDADHL O=C([O-])[C@H](CNC(=O)c1ccc2n[n-]nc2c1)CC1CC1 ZINC000405341930 349783833 /nfs/dbraw/zinc/78/38/33/349783833.db2.gz DGPLCNAWEYDRAX-JTQLQIEISA-N -2 3 288.307 1.189 20 0 CDADHL CSC[C@H](C)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000596089893 343234026 /nfs/dbraw/zinc/23/40/26/343234026.db2.gz YZZHWKZXLNROOK-ZETCQYMHSA-N -2 3 293.366 1.316 20 0 CDADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](C)CCC(=O)[O-] ZINC000275032769 365899248 /nfs/dbraw/zinc/89/92/48/365899248.db2.gz QEBAJVGHOFBHGB-VIFPVBQESA-N -2 3 289.328 1.666 20 0 CDADHL COc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C(=O)[O-])c([O-])c1 ZINC000125332994 351428476 /nfs/dbraw/zinc/42/84/76/351428476.db2.gz BKTCYYFLJHNZDU-SKDRFNHKSA-N -2 3 293.319 1.726 20 0 CDADHL CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccco1 ZINC000276869451 366192667 /nfs/dbraw/zinc/19/26/67/366192667.db2.gz CPSOWYKTGRNFMZ-VIFPVBQESA-N -2 3 289.353 1.837 20 0 CDADHL O=C([O-])CC1(NC(=O)c2ccc3n[n-]nc3c2)CCCC1 ZINC000084143225 357117578 /nfs/dbraw/zinc/11/75/78/357117578.db2.gz STFNGZHABQWFIM-UHFFFAOYSA-N -2 3 288.307 1.475 20 0 CDADHL Cc1cccc([C@@H]2C[C@H]2C(=O)N=c2ccc([O-])n[n-]2)c1 ZINC000637129817 359250513 /nfs/dbraw/zinc/25/05/13/359250513.db2.gz RPBQPCUMXSPIGM-NWDGAFQWSA-N -2 3 269.304 1.655 20 0 CDADHL CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1ccco1 ZINC000263557783 359301490 /nfs/dbraw/zinc/30/14/90/359301490.db2.gz PJBACUNFNRDJCP-UHFFFAOYSA-N -2 3 261.299 1.201 20 0 CDADHL COc1ccc([O-])c([N-]S(=O)(=O)C[C@@H](C)OC)c1 ZINC000337752565 360403044 /nfs/dbraw/zinc/40/30/44/360403044.db2.gz JYRMCOQJBUBQOR-MRVPVSSYSA-N -2 3 275.326 1.177 20 0 CDADHL Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccccc1[O-] ZINC000436794963 361575743 /nfs/dbraw/zinc/57/57/43/361575743.db2.gz DFTVFZFUODTJED-UHFFFAOYSA-N -2 3 261.237 1.154 20 0 CDADHL Cc1ncc(CNC(=O)c2cc(F)ccc2[O-])c(=O)[n-]1 ZINC000436827395 361583876 /nfs/dbraw/zinc/58/38/76/361583876.db2.gz NSEQCACFUWZXGK-UHFFFAOYSA-N -2 3 277.255 1.265 20 0 CDADHL COc1cccc(C(=O)N2CCC(C(=O)[O-])CC2)c1[O-] ZINC000019440762 361643572 /nfs/dbraw/zinc/64/35/72/361643572.db2.gz HLUDDIBOBCMYLZ-UHFFFAOYSA-N -2 3 279.292 1.338 20 0 CDADHL Cc1cccc([O-])c1C(=O)N(C)Cc1n[n-]c(=O)o1 ZINC000630008124 364416847 /nfs/dbraw/zinc/41/68/47/364416847.db2.gz DCKVWQRQANSTDT-UHFFFAOYSA-N -2 3 263.253 1.061 20 0 CDADHL O=C([O-])c1cccc([N-]S(=O)(=O)Cc2ccon2)c1 ZINC000547884421 369678665 /nfs/dbraw/zinc/67/86/65/369678665.db2.gz UNWYCDQVQZFZNZ-UHFFFAOYSA-N -2 3 282.277 1.315 20 0 CDADHL O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(F)ccc1[O-] ZINC000081936510 370006382 /nfs/dbraw/zinc/00/63/82/370006382.db2.gz RSSQAEMPBPMWKW-UHFFFAOYSA-N -2 3 290.176 1.921 20 0 CDADHL O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc(F)ccc1[O-] ZINC000081936510 370006387 /nfs/dbraw/zinc/00/63/87/370006387.db2.gz RSSQAEMPBPMWKW-UHFFFAOYSA-N -2 3 290.176 1.921 20 0 CDADHL O=C(Nc1n[n-]c(C(F)(F)F)n1)c1cc(F)ccc1[O-] ZINC000081936510 370006392 /nfs/dbraw/zinc/00/63/92/370006392.db2.gz RSSQAEMPBPMWKW-UHFFFAOYSA-N -2 3 290.176 1.921 20 0 CDADHL O=C([O-])CC1CCN(Cc2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC000572532823 370194732 /nfs/dbraw/zinc/19/47/32/370194732.db2.gz FKZRUZSTMSNOIX-UHFFFAOYSA-N -2 3 291.351 1.746 20 0 CDADHL C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000169109320 372071892 /nfs/dbraw/zinc/07/18/92/372071892.db2.gz PFLYRZVOQMXDCQ-IONNQARKSA-N -2 3 287.312 1.458 20 0 CDADHL CC(C)(C)c1n[n-]c(CN=c2[n-]nc(C3CC3)s2)n1 ZINC000413404652 391023639 /nfs/dbraw/zinc/02/36/39/391023639.db2.gz DRPGCYXCLIANRY-UHFFFAOYSA-N -2 3 278.385 1.865 20 0 CDADHL CCC(C)(CC)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000519715614 391689067 /nfs/dbraw/zinc/68/90/67/391689067.db2.gz YKTGURNTCQFRAH-UHFFFAOYSA-N -2 3 292.382 1.698 20 0 CDADHL Cn1nccc1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000573941941 392473105 /nfs/dbraw/zinc/47/31/05/392473105.db2.gz QMVBWSAYJBRHIR-UHFFFAOYSA-N -2 3 271.273 1.066 20 0 CDADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(Cl)cc1[O-] ZINC000524147513 393337761 /nfs/dbraw/zinc/33/77/61/393337761.db2.gz RPIGILMCDGRPQF-VIFPVBQESA-N -2 3 295.726 1.287 20 0 CDADHL CCc1n[n-]c([N-]C(=O)c2cc(COC(C)(C)C)on2)n1 ZINC000186137535 140055156 /nfs/dbraw/zinc/05/51/56/140055156.db2.gz UFKXXOGDUKWVON-UHFFFAOYSA-N -2 3 293.327 1.923 20 0 CDADHL C[C@H]1SCC[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000386580820 398076531 /nfs/dbraw/zinc/07/65/31/398076531.db2.gz ZSLIVDUZRCEDMW-RNFRBKRXSA-N -2 3 291.350 1.150 20 0 CDADHL O=C([O-])CCCN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000262247886 149039889 /nfs/dbraw/zinc/03/98/89/149039889.db2.gz PAQUOSLSDRDCOX-UHFFFAOYSA-N -2 3 292.335 1.015 20 0 CDADHL Cn1cc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)[O-] ZINC000022159360 171363828 /nfs/dbraw/zinc/36/38/28/171363828.db2.gz JYGSPWACGROUIO-UHFFFAOYSA-N -2 3 298.295 1.663 20 0 CDADHL CC[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)C(=O)[O-] ZINC000035409611 172180818 /nfs/dbraw/zinc/18/08/18/172180818.db2.gz CXEBAFBCPNFQHV-JTQLQIEISA-N -2 3 274.276 1.121 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@]23C[C@H]2CCC3)o1 ZINC000656718805 413599177 /nfs/dbraw/zinc/59/91/77/413599177.db2.gz QRLFTZCSKIRCFZ-RDDDGLTNSA-N -2 3 271.294 1.199 20 0 CDADHL C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000037413012 173189463 /nfs/dbraw/zinc/18/94/63/173189463.db2.gz IODTXYPOTZLFNO-LURJTMIESA-N -2 3 279.264 1.106 20 0 CDADHL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000037413168 173189721 /nfs/dbraw/zinc/18/97/21/173189721.db2.gz GLSLOEUVLCWERW-RXMQYKEDSA-N -2 3 283.758 1.543 20 0 CDADHL C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000071207692 176080921 /nfs/dbraw/zinc/08/09/21/176080921.db2.gz QSNYPGNFLUUMRZ-APPZFPTMSA-N -2 3 289.378 1.913 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CCC[C@@]2(C)C(=O)[O-])n1 ZINC000652480943 424480834 /nfs/dbraw/zinc/48/08/34/424480834.db2.gz WQEWBYMIWZMUOG-ZDUSSCGKSA-N -2 3 265.313 1.184 20 0 CDADHL O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000563081319 293266383 /nfs/dbraw/zinc/26/63/83/293266383.db2.gz PVKPLTQGJHBAEZ-OLQVQODUSA-N -2 3 295.769 1.543 20 0 CDADHL C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1ccco1 ZINC000574973295 295082029 /nfs/dbraw/zinc/08/20/29/295082029.db2.gz DZXVOKBXVLBFDN-JOYOIKCWSA-N -2 3 287.337 1.591 20 0 CDADHL Cc1oc(C)c(S(=O)(=O)[N-]CC[C@@H](C)F)c1C(=O)[O-] ZINC000414346895 302871404 /nfs/dbraw/zinc/87/14/04/302871404.db2.gz VPPKESUOHSEESD-ZCFIWIBFSA-N -2 3 293.316 1.621 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](F)C2)o1 ZINC000576940058 317234063 /nfs/dbraw/zinc/23/40/63/317234063.db2.gz BFVSFNNYEBSSJQ-HTQZYQBOSA-N -2 3 291.300 1.537 20 0 CDADHL CCOC(=O)c1cc([N-]S(=O)(=O)CCCCF)n[n-]1 ZINC000582323785 324954262 /nfs/dbraw/zinc/95/42/62/324954262.db2.gz PTBSWXRSGDDGLV-UHFFFAOYSA-N -2 3 293.320 1.078 20 0 CDADHL CSC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000583932539 325269814 /nfs/dbraw/zinc/26/98/14/325269814.db2.gz VBUROWQXWUIZLE-ZCFIWIBFSA-N -2 3 293.366 1.316 20 0 CDADHL COc1cccc(C(=O)N(C)C(C)(C)C(=O)[O-])c1[O-] ZINC000061150086 525787194 /nfs/dbraw/zinc/78/71/94/525787194.db2.gz CJKHIRIQDBPUIK-UHFFFAOYSA-N -2 3 267.281 1.336 20 0 CDADHL N[C@@H](CCC(=O)[O-])C(=O)Nc1cccc(Cl)c1[O-] ZINC001601177477 1174773386 /nfs/dbraw/zinc/77/33/86/1174773386.db2.gz NYWGGHLXKJDNBW-ZETCQYMHSA-N -2 3 272.688 1.176 20 0 CDADHL C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1 ZINC000736099531 575571904 /nfs/dbraw/zinc/57/19/04/575571904.db2.gz JEYUPZZPBHTOOX-LURJTMIESA-N -2 3 285.229 1.606 20 0 CDADHL C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1 ZINC000736099531 575571906 /nfs/dbraw/zinc/57/19/06/575571906.db2.gz JEYUPZZPBHTOOX-LURJTMIESA-N -2 3 285.229 1.606 20 0 CDADHL O=C([O-])Cc1nc([N-]C(=O)c2cc3ccccc3o2)n[nH]1 ZINC000739909355 576396770 /nfs/dbraw/zinc/39/67/70/576396770.db2.gz HNZDCLWPWOGCBJ-UHFFFAOYSA-N -2 3 286.247 1.430 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccccc2)o1 ZINC000821099052 598165030 /nfs/dbraw/zinc/16/50/30/598165030.db2.gz WXOFSPKBZASANV-LBPRGKRZSA-N -2 3 295.316 1.692 20 0 CDADHL CCc1cccc(C(=O)N2CC[C@H](C(=O)[O-])C2)c1[O-] ZINC000818339409 601285947 /nfs/dbraw/zinc/28/59/47/601285947.db2.gz ZMBJAUMABOOQFJ-JTQLQIEISA-N -2 3 263.293 1.501 20 0 CDADHL CC(C)C([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(C)C ZINC000826717299 604411310 /nfs/dbraw/zinc/41/13/10/604411310.db2.gz POQOTMLWDXQPLE-UHFFFAOYSA-N -2 3 289.353 1.937 20 0 CDADHL CSCC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000903555642 626024319 /nfs/dbraw/zinc/02/43/19/626024319.db2.gz VRQMDNRUNJADJO-UHFFFAOYSA-N -2 3 293.366 1.398 20 0 CDADHL O=C([O-])C1(NC(=O)Cc2ccc([O-])c(F)c2)CCCCC1 ZINC000908596812 628285989 /nfs/dbraw/zinc/28/59/89/628285989.db2.gz DODTVPRZRNDMKS-UHFFFAOYSA-N -2 3 295.310 1.978 20 0 CDADHL CN(C(=O)NCc1ccc([O-])c(F)c1)C(C)(C)C(=O)[O-] ZINC000909050181 628491532 /nfs/dbraw/zinc/49/15/32/628491532.db2.gz YESHDTQQBOYRGD-UHFFFAOYSA-N -2 3 284.287 1.536 20 0 CDADHL COCCO[N-]C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000911807871 629539364 /nfs/dbraw/zinc/53/93/64/629539364.db2.gz PGJMCGLOWWWJQT-UHFFFAOYSA-N -2 3 271.313 1.106 20 0 CDADHL C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000841774751 695780766 /nfs/dbraw/zinc/78/07/66/695780766.db2.gz QAESIKMGGXYJGI-YFKPBYRVSA-N -2 3 296.707 1.016 20 0 CDADHL C[C@H](CNC(=O)c1cc([O-])ccc1Cl)CC(=O)[O-] ZINC000235451480 695814853 /nfs/dbraw/zinc/81/48/53/695814853.db2.gz HBVZRTGMUNYWJS-ZETCQYMHSA-N -2 3 271.700 1.886 20 0 CDADHL CSCCCC[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871993463 696028576 /nfs/dbraw/zinc/02/85/76/696028576.db2.gz LAUIKJVCTDVOIY-UHFFFAOYSA-N -2 3 293.366 1.399 20 0 CDADHL O=c1[n-]c2nc(=O)[n-]c(N=c3cccc(Cl)n3F)c2[nH]1 ZINC001170219112 1162302625 /nfs/dbraw/zinc/30/26/25/1162302625.db2.gz XUGRDGOFOBYSAR-UHFFFAOYSA-N -2 3 296.649 1.136 20 0 CDADHL CCCS(=O)(=O)[N-]c1sccc1-c1nn[n-]n1 ZINC001604234993 1163130990 /nfs/dbraw/zinc/13/09/90/1163130990.db2.gz WZNXPWIWIQRYKX-UHFFFAOYSA-N -2 3 273.343 1.080 20 0 CDADHL O=C([O-])c1ccc(CSCCc2nnn[n-]2)cc1F ZINC001608891018 1164678173 /nfs/dbraw/zinc/67/81/73/1164678173.db2.gz VEYUNQWXVSWAKB-UHFFFAOYSA-N -2 3 282.300 1.513 20 0 CDADHL O=C([O-])c1ccc(CSCCc2nn[n-]n2)cc1F ZINC001608891018 1164678177 /nfs/dbraw/zinc/67/81/77/1164678177.db2.gz VEYUNQWXVSWAKB-UHFFFAOYSA-N -2 3 282.300 1.513 20 0 CDADHL O=C([O-])c1coc(CN2CCC(c3n[nH]c(=O)[n-]3)CC2)c1 ZINC001608987349 1164709315 /nfs/dbraw/zinc/70/93/15/1164709315.db2.gz NXCTUBNDROMMRA-UHFFFAOYSA-N -2 3 292.295 1.181 20 0 CDADHL CCc1ccc(C(=O)N(C)C(C)(C)C(=O)[O-])c([O-])c1 ZINC001610060650 1165199369 /nfs/dbraw/zinc/19/93/69/1165199369.db2.gz ZCTUJGPLLPONHD-UHFFFAOYSA-N -2 3 265.309 1.890 20 0 CDADHL CC(C)C[C@H](Nc1ncccc1-c1nnn[n-]1)C(=O)[O-] ZINC000095206673 1166608551 /nfs/dbraw/zinc/60/85/51/1166608551.db2.gz NWZOQGLKTGALGM-VIFPVBQESA-N -2 3 276.300 1.173 20 0 CDADHL CC(C)C[C@H](Nc1ncccc1-c1nn[n-]n1)C(=O)[O-] ZINC000095206673 1166608554 /nfs/dbraw/zinc/60/85/54/1166608554.db2.gz NWZOQGLKTGALGM-VIFPVBQESA-N -2 3 276.300 1.173 20 0 CDADHL O=C([O-])C1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000095338414 1166624967 /nfs/dbraw/zinc/62/49/67/1166624967.db2.gz NZCDEGAQKVVMCC-UHFFFAOYSA-N -2 3 291.286 1.307 20 0 CDADHL O=C([O-])C1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000095338414 1166624971 /nfs/dbraw/zinc/62/49/71/1166624971.db2.gz NZCDEGAQKVVMCC-UHFFFAOYSA-N -2 3 291.286 1.307 20 0 CDADHL C[C@H](CN(C)c1ncc(-c2nnn[n-]2)cc1Cl)C(=O)[O-] ZINC001589846577 1173189698 /nfs/dbraw/zinc/18/96/98/1173189698.db2.gz CWSDFXVXGOTXGW-ZCFIWIBFSA-N -2 3 296.718 1.072 20 0 CDADHL C[C@H](CN(C)c1ncc(-c2nn[n-]n2)cc1Cl)C(=O)[O-] ZINC001589846577 1173189699 /nfs/dbraw/zinc/18/96/99/1173189699.db2.gz CWSDFXVXGOTXGW-ZCFIWIBFSA-N -2 3 296.718 1.072 20 0 CDADHL Cc1cc(-c2nnn[n-]2)cc(NC[C@@H](C(=O)[O-])C(C)C)n1 ZINC001591858003 1173723548 /nfs/dbraw/zinc/72/35/48/1173723548.db2.gz MBJYVQUQVFNGFW-SNVBAGLBSA-N -2 3 290.327 1.339 20 0 CDADHL Cc1cc(-c2nn[n-]n2)cc(NC[C@@H](C(=O)[O-])C(C)C)n1 ZINC001591858003 1173723551 /nfs/dbraw/zinc/72/35/51/1173723551.db2.gz MBJYVQUQVFNGFW-SNVBAGLBSA-N -2 3 290.327 1.339 20 0 CDADHL Cc1ccc(-c2nnn[n-]2)c(NCCCCCC(=O)[O-])n1 ZINC001592089465 1173796944 /nfs/dbraw/zinc/79/69/44/1173796944.db2.gz KDOMPUNTUNYKMK-UHFFFAOYSA-N -2 3 290.327 1.627 20 0 CDADHL Cc1ccc(-c2nn[n-]n2)c(NCCCCCC(=O)[O-])n1 ZINC001592089465 1173796953 /nfs/dbraw/zinc/79/69/53/1173796953.db2.gz KDOMPUNTUNYKMK-UHFFFAOYSA-N -2 3 290.327 1.627 20 0 CDADHL O=C([O-])[C@@H]1[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C[C@@H]21 ZINC001593278794 1174048746 /nfs/dbraw/zinc/04/87/46/1174048746.db2.gz BIGJYFYAEAIEMB-GRYCIOLGSA-N -2 3 285.307 1.024 20 0 CDADHL O=C([O-])C[C@@H]1CCCCN1Cc1cc(C(=O)[O-])no1 ZINC001601949671 1175082719 /nfs/dbraw/zinc/08/27/19/1175082719.db2.gz UGXKTQRANZGHND-QMMMGPOBSA-N -2 3 268.269 1.202 20 0 CDADHL O=C([O-])[C@@H]1C[C@H]1c1ccc(N=c2ncnc3[nH][n-]cc2-3)cc1 ZINC001602202557 1175161637 /nfs/dbraw/zinc/16/16/37/1175161637.db2.gz TWWPIWIFBMPUCT-WDEREUQCSA-N -2 3 295.302 1.658 20 0 CDADHL CC[C@H](C)CONC(=O)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001604004227 1175717868 /nfs/dbraw/zinc/71/78/68/1175717868.db2.gz OKBWUVVXEDHRSB-QMMMGPOBSA-N -2 3 291.311 1.280 20 0 CDADHL CC[C@@H](CNc1nc(C)cc(C)c1-c1nn[n-]n1)C(=O)[O-] ZINC001604040677 1175732405 /nfs/dbraw/zinc/73/24/05/1175732405.db2.gz UDUKSSHRJCVSAU-VIFPVBQESA-N -2 3 290.327 1.401 20 0 CDADHL CCc1ccc([O-])c(C(=O)N(C)C[C@@H](C)C(=O)[O-])c1 ZINC000263282113 724810636 /nfs/dbraw/zinc/81/06/36/724810636.db2.gz XKKYAPJMPZFOSK-SECBINFHSA-N -2 3 265.309 1.747 20 0 CDADHL CCC(=O)[N-][N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000091011184 724813745 /nfs/dbraw/zinc/81/37/45/724813745.db2.gz XUEIDDRXGXMICI-UHFFFAOYSA-N -2 3 262.356 1.084 20 0 CDADHL Nc1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c([O-])c1 ZINC000844934486 723757911 /nfs/dbraw/zinc/75/79/11/723757911.db2.gz GHZNSBAPWMEPIM-SNVBAGLBSA-N -2 3 292.335 1.691 20 0 CDADHL O=P([O-])([O-])CCCCO[C@@H]1COc2cnccc21 ZINC001225020528 911596731 /nfs/dbraw/zinc/59/67/31/911596731.db2.gz PBKMWMOMULJXPU-LLVKDONJSA-N -2 3 273.225 1.490 20 0 CDADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)CCCF ZINC001189921510 921727585 /nfs/dbraw/zinc/72/75/85/921727585.db2.gz PUXOICBSILXFDT-UHFFFAOYSA-N -2 3 291.300 1.280 20 0 CDADHL O=P([O-])([O-])OCCNc1ccncc1C(F)(F)F ZINC001168590992 919351510 /nfs/dbraw/zinc/35/15/10/919351510.db2.gz FTQMFZZAQRLOAI-UHFFFAOYSA-N -2 3 286.146 1.044 20 0 CDADHL Cc1ccc(F)cc1NC(=O)NCCP(=O)([O-])[O-] ZINC001191428085 922553968 /nfs/dbraw/zinc/55/39/68/922553968.db2.gz RRLAMNSUFZQMAX-UHFFFAOYSA-N -2 3 276.204 1.433 20 0 CDADHL O=P([O-])([O-])CCNC(=S)Nc1ccc(F)cc1F ZINC001200936938 926165755 /nfs/dbraw/zinc/16/57/55/926165755.db2.gz WMPJDPIGDAUBAY-UHFFFAOYSA-N -2 3 296.235 1.429 20 0 CDADHL CSc1ccsc1C(=O)NCc1nc([O-])cc(=O)[n-]1 ZINC001412377289 932399653 /nfs/dbraw/zinc/39/96/53/932399653.db2.gz RWVQEPXPNQAIEG-UHFFFAOYSA-N -2 3 297.361 1.601 20 0 CDADHL Nc1ccc(N)c(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1 ZINC001208200518 940307245 /nfs/dbraw/zinc/30/72/45/940307245.db2.gz XNZWJXNLYPHBCK-UHFFFAOYSA-N -2 3 297.311 1.497 20 0 CDADHL C[C@H]1[C@H](OCCP(=O)([O-])[O-])CN1C(=O)OC(C)(C)C ZINC001224603133 941774597 /nfs/dbraw/zinc/77/45/97/941774597.db2.gz VMHFWGFGJXSMRN-DTWKUNHWSA-N -2 3 295.272 1.189 20 0 CDADHL CCCOC[C@H](C)OCCCCP(=O)([O-])[O-] ZINC001225018570 941814458 /nfs/dbraw/zinc/81/44/58/941814458.db2.gz AZKVSLMTQDYTOD-JTQLQIEISA-N -2 3 254.263 1.776 20 0 CDADHL CC(=O)N1CCC(Oc2nc3ncnc-3c([S-])[n-]2)CC1 ZINC001226780729 942067792 /nfs/dbraw/zinc/06/77/92/942067792.db2.gz SXVLGVWIUWATIP-UHFFFAOYSA-N -2 3 293.352 1.031 20 0 CDADHL COc1cccc(-c2nc([C@H](C)C(=O)[O-])no2)c1[O-] ZINC001611060898 970874557 /nfs/dbraw/zinc/87/45/57/970874557.db2.gz ZUXSWFUJXUKYPH-LURJTMIESA-N -2 3 264.237 1.639 20 0 CDADHL Cc1ccc(OC(C)C)c(COc2nc(=O)[n-]c(=O)[n-]2)c1 ZINC001227569724 942190657 /nfs/dbraw/zinc/19/06/57/942190657.db2.gz FTZXEIAQDDFEHT-UHFFFAOYSA-N -2 3 291.307 1.957 20 0 CDADHL Cc1ccc(OC[C@@H](C)Oc2nc(=O)[n-]c(=O)[n-]2)cc1 ZINC001227571508 942190938 /nfs/dbraw/zinc/19/09/38/942190938.db2.gz VJDDDDSUZXYQON-SECBINFHSA-N -2 3 277.280 1.438 20 0 CDADHL CCOc1ccc([C@@H](C)Oc2nc(=O)[n-]c(=O)[n-]2)cc1 ZINC001227571643 942191214 /nfs/dbraw/zinc/19/12/14/942191214.db2.gz XNFJMBRFRZGLNS-MRVPVSSYSA-N -2 3 277.280 1.822 20 0 CDADHL O=C(/C=C/c1ccc(C(=O)[O-])o1)[N-]OCc1cccnc1 ZINC001601236271 970959803 /nfs/dbraw/zinc/95/98/03/970959803.db2.gz OBEFYLNCOUGYJD-GQCTYLIASA-N -2 3 288.259 1.634 20 0 CDADHL Cc1cn2c(n1)[C@H](Oc1[n-]c(=O)nc3cn[n-]c31)CCC2 ZINC001233939090 943694743 /nfs/dbraw/zinc/69/47/43/943694743.db2.gz HRGOCJKGJHRSHU-SECBINFHSA-N -2 3 286.295 1.065 20 0 CDADHL CC[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C1CC1 ZINC000324384995 971114631 /nfs/dbraw/zinc/11/46/31/971114631.db2.gz ZTBNYLBNGAWTCF-SSDOTTSWSA-N -2 3 290.366 1.308 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](C2CC2)C2CCC2)o1 ZINC000324438255 971120556 /nfs/dbraw/zinc/12/05/56/971120556.db2.gz BDHMHEZVWVTWJY-GFCCVEGCSA-N -2 3 299.348 1.835 20 0 CDADHL COCCS(=O)(=O)[N-]c1cc([O-])c(Cl)cc1F ZINC001259971356 945767178 /nfs/dbraw/zinc/76/71/78/945767178.db2.gz QHXUJFFDZOXFJQ-UHFFFAOYSA-N -2 3 283.708 1.573 20 0 CDADHL NCc1cccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242159449 946610983 /nfs/dbraw/zinc/61/09/83/946610983.db2.gz OMFKKOOUIXDJFG-UHFFFAOYSA-N -2 3 272.260 1.604 20 0 CDADHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1csc(Cl)c1 ZINC001363036282 971832603 /nfs/dbraw/zinc/83/26/03/971832603.db2.gz GNBNCCUVGGSTGK-UHFFFAOYSA-N -2 3 285.712 1.533 20 0 CDADHL CC[C@@H](CNC(=O)c1c(C)cccc1[O-])C(=O)[O-] ZINC000706577813 954953145 /nfs/dbraw/zinc/95/31/45/954953145.db2.gz YHPRKTULBYDYMC-VIFPVBQESA-N -2 3 251.282 1.541 20 0 CDADHL COc1cc(C)ccc1[N-]S(=O)(=O)CCC(=O)[O-] ZINC000037789779 957327272 /nfs/dbraw/zinc/32/72/72/957327272.db2.gz RQABHHJJHQQWBO-UHFFFAOYSA-N -2 3 273.310 1.220 20 0 CDADHL CCCN(CC(=O)[O-])C(=O)c1ccc(O)cc1[O-] ZINC000038019413 957345967 /nfs/dbraw/zinc/34/59/67/957345967.db2.gz ZFDXDARLIPMVLH-UHFFFAOYSA-N -2 3 253.254 1.035 20 0 CDADHL C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(O)cc1[O-] ZINC000092916806 958182363 /nfs/dbraw/zinc/18/23/63/958182363.db2.gz JOHWETXKJIDNMT-CBAPKCEASA-N -2 3 265.265 1.033 20 0 CDADHL O=C([O-])[C@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000125989479 958575030 /nfs/dbraw/zinc/57/50/30/958575030.db2.gz VIWJQQFUQSHJBP-GFCCVEGCSA-N -2 3 287.271 1.654 20 0 CDADHL Cc1nc(NC[C@@H](C(=O)[O-])c2ccccc2)cc(=O)[n-]1 ZINC000163147264 959227177 /nfs/dbraw/zinc/22/71/77/959227177.db2.gz NPZDZJNMHBANJT-LLVKDONJSA-N -2 3 273.292 1.771 20 0 CDADHL C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1c([O-])cccc1O ZINC000232429752 960268361 /nfs/dbraw/zinc/26/83/61/960268361.db2.gz BDSXZPDIUJHTQN-YUMQZZPRSA-N -2 3 265.265 1.033 20 0 CDADHL O=C([O-])CC1([N-]C(=O)C(F)(F)C(F)F)CCCC1 ZINC000236421824 960575291 /nfs/dbraw/zinc/57/52/91/960575291.db2.gz YWAFDGKVJQNVFR-UHFFFAOYSA-N -2 3 271.210 1.791 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CCc1ccccc1 ZINC001571054761 960707477 /nfs/dbraw/zinc/70/74/77/960707477.db2.gz LCFQUHSKMASKOP-UHFFFAOYSA-N -2 3 295.316 1.499 20 0 CDADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCCC(F)F)c1 ZINC001335370928 961917584 /nfs/dbraw/zinc/91/75/84/961917584.db2.gz OWVLBOOWQBJRSI-UHFFFAOYSA-N -2 3 299.320 1.770 20 0 CDADHL CC(C)C[C@H](OC(=O)c1cccc2nn[n-]c21)C(=O)[O-] ZINC001588862464 962007117 /nfs/dbraw/zinc/00/71/17/962007117.db2.gz GOKIAORONXHYGP-JTQLQIEISA-N -2 3 277.280 1.614 20 0 CDADHL CC(C)C[C@H](OC(=O)c1cccc2n[n-]nc21)C(=O)[O-] ZINC001588862464 962007120 /nfs/dbraw/zinc/00/71/20/962007120.db2.gz GOKIAORONXHYGP-JTQLQIEISA-N -2 3 277.280 1.614 20 0 CDADHL COc1cccc([O-])c1C(=O)NCCCCC(=O)[O-] ZINC000404652377 973739905 /nfs/dbraw/zinc/73/99/05/973739905.db2.gz RQHJOIXLDRUFHB-UHFFFAOYSA-N -2 3 267.281 1.386 20 0 CDADHL CCOCCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694148736 976669229 /nfs/dbraw/zinc/66/92/29/976669229.db2.gz POAYLRWGSHNEAJ-UHFFFAOYSA-N -2 3 291.325 1.073 20 0 CDADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C1(C2CC2)CC1 ZINC000697383346 976842027 /nfs/dbraw/zinc/84/20/27/976842027.db2.gz ZWKAZXMZEALLNE-UHFFFAOYSA-N -2 3 288.350 1.062 20 0 CDADHL C[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C1(C)CC1 ZINC000706549394 977353287 /nfs/dbraw/zinc/35/32/87/977353287.db2.gz MIWGGKKPMKJWAF-ZCFIWIBFSA-N -2 3 290.366 1.308 20 0 CDADHL O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)c1ccc(O)cc1[O-])C2 ZINC000712957446 977623199 /nfs/dbraw/zinc/62/31/99/977623199.db2.gz GFKLKZITXFNXKP-KXEKKFMESA-N -2 3 277.276 1.081 20 0 CDADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C1(C2CCC2)CCC1 ZINC000717854550 977922297 /nfs/dbraw/zinc/92/22/97/977922297.db2.gz XQHGSBQRQJZEDC-UHFFFAOYSA-N -2 3 299.352 1.109 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C2(C3CC3)CCC2)o1 ZINC000717864158 977923338 /nfs/dbraw/zinc/92/33/38/977923338.db2.gz USUSFGZEQRTJCT-UHFFFAOYSA-N -2 3 285.321 1.589 20 0 CDADHL CCCCC[C@H](NC(=O)c1ccc(N)cc1[O-])C(=O)[O-] ZINC001595680938 982158618 /nfs/dbraw/zinc/15/86/18/982158618.db2.gz IOANNRQCTOAEHN-NSHDSACASA-N -2 3 280.324 1.738 20 0 CDADHL CCc1cccc(C(=O)N2CC[C@@](OC)(C(=O)[O-])C2)c1[O-] ZINC001597570494 988345389 /nfs/dbraw/zinc/34/53/89/988345389.db2.gz LVPCBRCKNIGJRM-HNNXBMFYSA-N -2 3 293.319 1.270 20 0 CDADHL CC(C)C[C@H](CNC(=O)c1cccc2n[n-]nc21)C(=O)[O-] ZINC001591156188 991901541 /nfs/dbraw/zinc/90/15/41/991901541.db2.gz MYGYBLQOVFVBQH-SECBINFHSA-N -2 3 290.323 1.435 20 0 CDADHL COc1cccc([O-])c1C(=O)NCc1nc(C(=O)[O-])co1 ZINC001599680330 994970204 /nfs/dbraw/zinc/97/02/04/994970204.db2.gz LTEYUMWDGXIIFR-UHFFFAOYSA-N -2 3 292.247 1.017 20 0 CDADHL COC(=O)c1cc(C(=O)OCc2occc2C(=O)[O-])c[n-]1 ZINC001598926960 997665975 /nfs/dbraw/zinc/66/59/75/997665975.db2.gz WREJQAVGGXQZES-UHFFFAOYSA-N -2 3 293.231 1.450 20 0 CDADHL COc1ccc(CCCC(=O)[N-]OCCCC(=O)[O-])cc1 ZINC001599554132 998061043 /nfs/dbraw/zinc/06/10/43/998061043.db2.gz WWDVDJQZIDKPKJ-UHFFFAOYSA-N -2 3 295.335 1.931 20 0 CDADHL C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134708716 342071270 /nfs/dbraw/zinc/07/12/70/342071270.db2.gz GDYWVIDLNBSXND-NKWVEPMBSA-N -2 3 290.366 1.308 20 0 CDADHL Cc1nsc([N-]S(=O)(=O)c2ccc([O-])cc2)n1 ZINC000128297582 187362950 /nfs/dbraw/zinc/36/29/50/187362950.db2.gz LEHSELWVPQSQAP-UHFFFAOYSA-N -2 3 271.323 1.353 20 0 CDADHL Cc1ccc([O-])c(C(=O)N[C@H]2CCC[C@@H]2C(=O)[O-])c1 ZINC000085321358 179014974 /nfs/dbraw/zinc/01/49/74/179014974.db2.gz JUXCFWGIFNHIHL-ONGXEEELSA-N -2 3 263.293 1.684 20 0 CDADHL O=C(NCCCc1cc(=O)[nH][n-]1)c1ccc(Cl)cc1[O-] ZINC000614921968 348273512 /nfs/dbraw/zinc/27/35/12/348273512.db2.gz KZERYHNDVWQFKU-UHFFFAOYSA-N -2 3 295.726 1.432 20 0 CDADHL COc1ccc(C(=O)N2CC[C@H](C)C[C@@H]2C(=O)[O-])c([O-])c1 ZINC000125333483 351428545 /nfs/dbraw/zinc/42/85/45/351428545.db2.gz BKTCYYFLJHNZDU-JOYOIKCWSA-N -2 3 293.319 1.726 20 0 CDADHL CCC[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000036838139 356440604 /nfs/dbraw/zinc/44/06/04/356440604.db2.gz OLKOWUZXDPJLJS-SSDOTTSWSA-N -2 3 263.340 1.280 20 0 CDADHL Cc1ccc(C(=O)N2CCC[C@]2(C)C(=O)[O-])c([O-])c1 ZINC000079477588 358072208 /nfs/dbraw/zinc/07/22/08/358072208.db2.gz QKSATRBXXUMILM-CQSZACIVSA-N -2 3 263.293 1.780 20 0 CDADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cccs1 ZINC000297228323 200119805 /nfs/dbraw/zinc/11/98/05/200119805.db2.gz ORPCOWYZXWHUTM-QMMMGPOBSA-N -2 3 277.367 1.670 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)CC(=O)[O-])sc1Cl ZINC000231806609 360483108 /nfs/dbraw/zinc/48/31/08/360483108.db2.gz CWNUZBPSROUMLU-LURJTMIESA-N -2 3 297.785 1.851 20 0 CDADHL O=C([N-]c1nnc2ccccn21)C(=O)c1ccc([O-])cc1 ZINC000437001869 361637059 /nfs/dbraw/zinc/63/70/59/361637059.db2.gz FETMWTRKGLEKNE-UHFFFAOYSA-N -2 3 282.259 1.256 20 0 CDADHL O=C(Nc1nnn[n-]1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000179586248 364995541 /nfs/dbraw/zinc/99/55/41/364995541.db2.gz HLNTZQWRIZBXME-UHFFFAOYSA-N -2 3 297.274 1.950 20 0 CDADHL O=C(Nc1nn[n-]n1)c1cc(Oc2ccccc2)ccc1[O-] ZINC000179586248 364995545 /nfs/dbraw/zinc/99/55/45/364995545.db2.gz HLNTZQWRIZBXME-UHFFFAOYSA-N -2 3 297.274 1.950 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@H](C)C(=O)[O-])sc1Cl ZINC000231806501 367556055 /nfs/dbraw/zinc/55/60/55/367556055.db2.gz DEWOTFFMKFRIDO-RXMQYKEDSA-N -2 3 283.758 1.461 20 0 CDADHL CO[C@H](C)CS(=O)(=O)[N-]c1c(C)cccc1C(=O)[O-] ZINC000282259294 294298552 /nfs/dbraw/zinc/29/85/52/294298552.db2.gz SCANJNBMGWTEPR-SECBINFHSA-N -2 3 287.337 1.470 20 0 CDADHL Cc1cccc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)c1[O-] ZINC000263362817 370541242 /nfs/dbraw/zinc/54/12/42/370541242.db2.gz SJCXTYPMKWYGGP-GXSJLCMTSA-N -2 3 277.320 1.883 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C=CCCC2)o1 ZINC000572599298 371257520 /nfs/dbraw/zinc/25/75/20/371257520.db2.gz YCDBFDJZOPZWLF-MRVPVSSYSA-N -2 3 271.294 1.365 20 0 CDADHL CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000042556746 374336998 /nfs/dbraw/zinc/33/69/98/374336998.db2.gz JSPALWKBXBKKHY-SFYZADRCSA-N -2 3 275.326 1.691 20 0 CDADHL CC(C)[C@@](C)(CC(=O)[O-])NC(=O)c1ccc2n[n-]nc2c1 ZINC000262974457 190065345 /nfs/dbraw/zinc/06/53/45/190065345.db2.gz MXSAYRCPSOBWNJ-CQSZACIVSA-N -2 3 290.323 1.577 20 0 CDADHL O=C([O-])CCCCC[N-]S(=O)(=O)c1ccccn1 ZINC000417418943 377038088 /nfs/dbraw/zinc/03/80/88/377038088.db2.gz CGVLHAOWSKMKAY-UHFFFAOYSA-N -2 3 272.326 1.005 20 0 CDADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(C)cs1 ZINC000571737925 377502599 /nfs/dbraw/zinc/50/25/99/377502599.db2.gz VHGBFZXVJGQAMH-VIFPVBQESA-N -2 3 291.394 1.978 20 0 CDADHL O=C(Nc1cc(Cl)c([O-])cc1F)c1nc[n-]n1 ZINC000345577495 391262452 /nfs/dbraw/zinc/26/24/52/391262452.db2.gz BNHFFUOFMSVTKR-UHFFFAOYSA-N -2 3 256.624 1.555 20 0 CDADHL Cc1oc(S(=O)(=O)[N-][C@H](C)C2CC2)cc1C(=O)[O-] ZINC000645951767 393427455 /nfs/dbraw/zinc/42/74/55/393427455.db2.gz MYEMHNRJQMWVKE-ZCFIWIBFSA-N -2 3 273.310 1.363 20 0 CDADHL CC[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C(C)C ZINC000645958333 393434248 /nfs/dbraw/zinc/43/42/48/393434248.db2.gz IMTNVBHLODSOOT-ZETCQYMHSA-N -2 3 292.382 1.554 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CC[C@H](C(=O)[O-])[C@@H]2C)n1 ZINC000518782784 397989409 /nfs/dbraw/zinc/98/94/09/397989409.db2.gz MBWVBUCBQWUBEQ-WPRPVWTQSA-N -2 3 265.313 1.040 20 0 CDADHL CCC(CC)(CC(=O)[O-])NC(=O)c1ccc2n[n-]nc2c1 ZINC000262077112 149011109 /nfs/dbraw/zinc/01/11/09/149011109.db2.gz JRAXVGHIEAGSRU-UHFFFAOYSA-N -2 3 290.323 1.721 20 0 CDADHL CCn1nccc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000349113070 154054135 /nfs/dbraw/zinc/05/41/35/154054135.db2.gz PRGVKJBCKWKNMV-SNAWJCMRSA-N -2 3 288.307 1.505 20 0 CDADHL O=C(N=c1ccc([O-])n[n-]1)C1C2CC3CC(C2)CC1C3 ZINC000362171383 159090098 /nfs/dbraw/zinc/09/00/98/159090098.db2.gz KAYRKNXSKGZLCX-UHFFFAOYSA-N -2 3 273.336 1.615 20 0 CDADHL C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000037462448 173224734 /nfs/dbraw/zinc/22/47/34/173224734.db2.gz ZMUQIFQHEWXVAE-YFKPBYRVSA-N -2 3 281.692 1.231 20 0 CDADHL COc1ccc([O-])c(C(=O)NC2CCC(C(=O)[O-])CC2)c1 ZINC000037561453 173271968 /nfs/dbraw/zinc/27/19/68/173271968.db2.gz YLOZEEPDEGJSFF-UHFFFAOYSA-N -2 3 293.319 1.774 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]C[C@H]2C[C@H]2C)oc1C(=O)[O-] ZINC000663419780 414244577 /nfs/dbraw/zinc/24/45/77/414244577.db2.gz UQOLKVQYAMBIPO-HTRCEHHLSA-N -2 3 273.310 1.221 20 0 CDADHL COc1ccc(Cl)c([N-]S(=O)(=O)CCC(=O)[O-])c1 ZINC000043317949 175005247 /nfs/dbraw/zinc/00/52/47/175005247.db2.gz XTUYXKDGQAGJHH-UHFFFAOYSA-N -2 3 293.728 1.565 20 0 CDADHL Cc1ccc(C(=O)N[C@]2(C(=O)[O-])CCSC2)c([O-])c1 ZINC000043508489 175059885 /nfs/dbraw/zinc/05/98/85/175059885.db2.gz PWDANXPXHJKVLK-CYBMUJFWSA-N -2 3 281.333 1.391 20 0 CDADHL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000570497774 294250177 /nfs/dbraw/zinc/25/01/77/294250177.db2.gz VHFWOEGQPZKOJP-MRVPVSSYSA-N -2 3 275.326 1.447 20 0 CDADHL Cc1cccc([N-]S(=O)(=O)[C@H]2CCCOC2)c1C(=O)[O-] ZINC000274987913 302005576 /nfs/dbraw/zinc/00/55/76/302005576.db2.gz YPMJVXPOKFUEMV-JTQLQIEISA-N -2 3 299.348 1.614 20 0 CDADHL Nc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc1 ZINC000001695088 323206674 /nfs/dbraw/zinc/20/66/74/323206674.db2.gz KGQGBLKODLWURR-UHFFFAOYSA-N -2 3 292.316 1.768 20 0 CDADHL CNC(=O)c1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc1 ZINC000670369804 482844529 /nfs/dbraw/zinc/84/45/29/482844529.db2.gz COAMMKIUIWUUBX-DAXSKMNVSA-N -2 3 299.286 1.410 20 0 CDADHL O=C([O-])c1cnc(C=Cc2cccc(O)c2)[n-]c1=O ZINC000670370188 482845873 /nfs/dbraw/zinc/84/58/73/482845873.db2.gz LLAXTEIXELCKLD-SNAWJCMRSA-N -2 3 258.233 1.756 20 0 CDADHL CC[C@@H](CNC(=O)c1ccc(C)cc1[O-])C(=O)[O-] ZINC000087483041 482863256 /nfs/dbraw/zinc/86/32/56/482863256.db2.gz ZQNKAJCQKLQHHJ-VIFPVBQESA-N -2 3 251.282 1.541 20 0 CDADHL CN(C(=O)c1cc(=O)c2ccccc2[n-]1)C(C)(C)C(=O)[O-] ZINC000061150559 523917683 /nfs/dbraw/zinc/91/76/83/523917683.db2.gz FFPQNTDHNKYVKP-UHFFFAOYSA-N -2 3 288.303 1.463 20 0 CDADHL COc1ccc([O-])c(C(=O)N[C@@H](CC2CC2)C(=O)[O-])c1 ZINC000261728098 536821368 /nfs/dbraw/zinc/82/13/68/536821368.db2.gz KVPGPIMBQIIMJX-NSHDSACASA-N -2 3 279.292 1.384 20 0 CDADHL C[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)[O-] ZINC000737714593 574721349 /nfs/dbraw/zinc/72/13/49/574721349.db2.gz QJCXLYLZVWIOPX-VKHMYHEASA-N -2 3 252.053 1.951 20 0 CDADHL O=C(OCc1n[nH]c(=O)[n-]1)c1cc(F)cc(Cl)c1[O-] ZINC000774964213 575256212 /nfs/dbraw/zinc/25/62/12/575256212.db2.gz SPBBZYARMVFNLO-UHFFFAOYSA-N -2 3 287.634 1.365 20 0 CDADHL CC(C)c1ccc(C(=O)N2CCO[C@H](C(=O)[O-])C2)c([O-])c1 ZINC000736512349 575681795 /nfs/dbraw/zinc/68/17/95/575681795.db2.gz JRIHLXWLMUGULD-ZDUSSCGKSA-N -2 3 293.319 1.441 20 0 CDADHL CC1(C)Cc2ccc(C(=O)NCCCC(=O)[O-])c([O-])c2O1 ZINC000736736941 575731291 /nfs/dbraw/zinc/73/12/91/575731291.db2.gz KDKYZGNTJJEQON-UHFFFAOYSA-N -2 3 293.319 1.700 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)C[C@H](O)c1cccc(F)c1 ZINC001601995277 1175104031 /nfs/dbraw/zinc/10/40/31/1175104031.db2.gz NSDZCQGQNQQKBQ-NSHDSACASA-N -2 3 285.271 1.162 20 0 CDADHL O=C([O-])c1ccc(CNC(=O)c2ccc(O)cc2[O-])o1 ZINC000094554441 600477916 /nfs/dbraw/zinc/47/79/16/600477916.db2.gz UOCNZHBFCGCYFM-UHFFFAOYSA-N -2 3 277.232 1.319 20 0 CDADHL O=C([O-])[C@H]1CCCCN1C(=O)c1ccc(O)cc1[O-] ZINC000019260442 601628002 /nfs/dbraw/zinc/62/80/02/601628002.db2.gz ZOOUFANJSNDAPD-SNVBAGLBSA-N -2 3 265.265 1.177 20 0 CDADHL Cc1ccc(-c2nnn[n-]2)nc1NCC1(C(=O)[O-])CCC1 ZINC001605804507 1163676765 /nfs/dbraw/zinc/67/67/65/1163676765.db2.gz MCNGCNUWPFANPR-UHFFFAOYSA-N -2 3 288.311 1.237 20 0 CDADHL COC(=O)c1[n-]cnc1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001606635367 1163942139 /nfs/dbraw/zinc/94/21/39/1163942139.db2.gz BKBNYEPPAYKDEI-HTQZYQBOSA-N -2 3 295.295 1.026 20 0 CDADHL COC(=O)c1nc[n-]c1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001606635367 1163942145 /nfs/dbraw/zinc/94/21/45/1163942145.db2.gz BKBNYEPPAYKDEI-HTQZYQBOSA-N -2 3 295.295 1.026 20 0 CDADHL O=S(=O)(CCC1CC1)[N-]c1sccc1-c1nn[n-]n1 ZINC001607057367 1164069546 /nfs/dbraw/zinc/06/95/46/1164069546.db2.gz DXEQCGLFXLGVIT-UHFFFAOYSA-N -2 3 299.381 1.470 20 0 CDADHL Cc1cccc([O-])c1C(=O)NCc1cc(C(=O)[O-])co1 ZINC001607858181 1164310249 /nfs/dbraw/zinc/31/02/49/1164310249.db2.gz LFCMXZNHDZAKJA-UHFFFAOYSA-N -2 3 275.260 1.922 20 0 CDADHL Nc1ccc(C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])c([O-])c1 ZINC001608271573 1164475993 /nfs/dbraw/zinc/47/59/93/1164475993.db2.gz CJWSBZCHNUTFRV-IYYTYJHQSA-N -2 3 290.319 1.300 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccco2)o1 ZINC001608913392 1164683343 /nfs/dbraw/zinc/68/33/43/1164683343.db2.gz KARONXPJYYQBII-HTQZYQBOSA-N -2 3 297.288 1.405 20 0 CDADHL CC(C)[C@@H](CNc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC001589457328 1173147188 /nfs/dbraw/zinc/14/71/88/1173147188.db2.gz TVCSIHUNCIEINR-LLVKDONJSA-N -2 3 275.312 1.635 20 0 CDADHL CC1(C(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC001590068259 1173244413 /nfs/dbraw/zinc/24/44/13/1173244413.db2.gz FDMHDBLNXTUBKM-UHFFFAOYSA-N -2 3 287.323 1.857 20 0 CDADHL Cc1cc(=O)[n-]c(N2CCc3ccc(C(=O)[O-])nc3C2)n1 ZINC001600285300 1174437669 /nfs/dbraw/zinc/43/76/69/1174437669.db2.gz INQJHXQVOFIEHA-UHFFFAOYSA-N -2 3 286.291 1.147 20 0 CDADHL Cc1c(C(=O)[O-])cc(CNc2nc(C)cc(=O)[n-]2)n1C ZINC001600285838 1174439110 /nfs/dbraw/zinc/43/91/10/1174439110.db2.gz RQBOAWCCUHGMKQ-UHFFFAOYSA-N -2 3 276.296 1.448 20 0 CDADHL Nc1ccc(C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])c([O-])c1 ZINC001601214875 1174792455 /nfs/dbraw/zinc/79/24/55/1174792455.db2.gz NWPMOWXENBDXOS-SSDOTTSWSA-N -2 3 292.213 1.110 20 0 CDADHL O=C([O-])C(=O)CCCOC(=O)c1cccc(Cl)c1[O-] ZINC001601636450 1174920058 /nfs/dbraw/zinc/92/00/58/1174920058.db2.gz KDHLUQZGLNGJQF-UHFFFAOYSA-N -2 3 286.667 1.636 20 0 CDADHL C[C@H](CN(C)c1cccc(Cl)c1-c1nnn[n-]1)C(=O)[O-] ZINC001603512257 1175560872 /nfs/dbraw/zinc/56/08/72/1175560872.db2.gz QMZYUTYHQSNEKE-SSDOTTSWSA-N -2 3 295.730 1.677 20 0 CDADHL C[C@H](CN(C)c1cccc(Cl)c1-c1nn[n-]n1)C(=O)[O-] ZINC001603512257 1175560879 /nfs/dbraw/zinc/56/08/79/1175560879.db2.gz QMZYUTYHQSNEKE-SSDOTTSWSA-N -2 3 295.730 1.677 20 0 CDADHL CC(C)(NC(=O)c1ccccc1[O-])c1nocc1C(=O)[O-] ZINC001603680156 1175595277 /nfs/dbraw/zinc/59/52/77/1175595277.db2.gz WSLUULAMWWSNPP-UHFFFAOYSA-N -2 3 290.275 1.744 20 0 CDADHL CCC(CC)(CNc1cccc(-c2nnn[n-]2)n1)C(=O)[O-] ZINC001604019041 1175721200 /nfs/dbraw/zinc/72/12/00/1175721200.db2.gz CASHGIYUUOZMDV-UHFFFAOYSA-N -2 3 290.327 1.565 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])sc1Cl ZINC000231806793 1178179139 /nfs/dbraw/zinc/17/91/39/1178179139.db2.gz IIIGDWRNNVTEKT-UHFFFAOYSA-N -2 3 297.785 1.851 20 0 CDADHL CCCNC(=O)[N-][N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000049275379 726013571 /nfs/dbraw/zinc/01/35/71/726013571.db2.gz HIZVXLTYRLGUAW-UHFFFAOYSA-N -2 3 291.760 1.243 20 0 CDADHL CC(C)C[C@H](C)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871993026 726857249 /nfs/dbraw/zinc/85/72/49/726857249.db2.gz DIUMTBUEGZEOPX-QMMMGPOBSA-N -2 3 275.326 1.691 20 0 CDADHL C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000716509303 727229502 /nfs/dbraw/zinc/22/95/02/727229502.db2.gz OPWCXZGSNLPBML-KATARQTJSA-N -2 3 299.348 1.548 20 0 CDADHL O=C([N-]OCc1cccnc1)c1n[n-]c2ccccc2c1=O ZINC000155840011 727911911 /nfs/dbraw/zinc/91/19/11/727911911.db2.gz GZOQORXHCWLXDL-UHFFFAOYSA-N -2 3 296.286 1.180 20 0 CDADHL C[C@@H](CC(=O)[O-])Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001609109061 1164774017 /nfs/dbraw/zinc/77/40/17/1164774017.db2.gz OCMRDVDMDQXZSW-LURJTMIESA-N -2 3 265.248 1.281 20 0 CDADHL C[C@@H](CC(=O)[O-])Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001609109061 1164774026 /nfs/dbraw/zinc/77/40/26/1164774026.db2.gz OCMRDVDMDQXZSW-LURJTMIESA-N -2 3 265.248 1.281 20 0 CDADHL CCc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)c([O-])c1 ZINC001610060247 1165199535 /nfs/dbraw/zinc/19/95/35/1165199535.db2.gz KJNYDZRIZCAZMT-GXSJLCMTSA-N -2 3 277.320 1.890 20 0 CDADHL Cc1nc(CN[C@H](CCCC(=O)[O-])C(=O)[O-])cs1 ZINC001647418002 1168670648 /nfs/dbraw/zinc/67/06/48/1168670648.db2.gz YAFRNANSAKLHFM-SECBINFHSA-N -2 3 272.326 1.249 20 0 CDADHL COC(=O)c1cccc([O-])c1[N-]S(=O)(=O)CC1CC1 ZINC001188968958 921244875 /nfs/dbraw/zinc/24/48/75/921244875.db2.gz LUIISTXACREZFX-UHFFFAOYSA-N -2 3 285.321 1.331 20 0 CDADHL CC(=O)CC(C)(C)[N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-] ZINC001180177059 916173540 /nfs/dbraw/zinc/17/35/40/916173540.db2.gz ZEXKZBCIOHPWRX-UHFFFAOYSA-N -2 3 287.209 1.216 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])[C@@H](F)c1ccccc1 ZINC001180151447 916183401 /nfs/dbraw/zinc/18/34/01/916183401.db2.gz LMVCMHXTJXFLSZ-NSHDSACASA-N -2 3 289.243 1.771 20 0 CDADHL CC(C)[C@H](C)C(=O)NCCCCP(=O)([O-])[O-] ZINC001181508516 917111971 /nfs/dbraw/zinc/11/19/71/917111971.db2.gz AGWKQVIDRHGQDQ-VIFPVBQESA-N -2 3 251.263 1.353 20 0 CDADHL O=S(=O)([N-]c1cncc([O-])c1)c1nccs1 ZINC001187852910 920696243 /nfs/dbraw/zinc/69/62/43/920696243.db2.gz DAKDCTOFLLIUPE-UHFFFAOYSA-N -2 3 257.296 1.045 20 0 CDADHL C[C@H]1C[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195186208 924488996 /nfs/dbraw/zinc/48/89/96/924488996.db2.gz HBPMLYOWUILFJG-CDUCUWFYSA-N -2 3 291.275 1.350 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1ccn2ccnc2c1 ZINC001151338689 937281453 /nfs/dbraw/zinc/28/14/53/937281453.db2.gz VFGCGWNKHPCOBH-UHFFFAOYSA-N -2 3 297.251 1.022 20 0 CDADHL O=C(NCCP(=O)([O-])[O-])Nc1cc(F)ccc1F ZINC001202662256 930449840 /nfs/dbraw/zinc/44/98/40/930449840.db2.gz GLNWXEYEFSOIRL-UHFFFAOYSA-N -2 3 280.167 1.264 20 0 CDADHL O=C([N-]N1CCCNC1=O)c1ncc2ccccc2c1[O-] ZINC001412769753 934343950 /nfs/dbraw/zinc/34/39/50/934343950.db2.gz HYVUJEFZKGFDRI-UHFFFAOYSA-N -2 3 286.291 1.001 20 0 CDADHL COc1ccc(C(=O)[O-])cc1Nc1cnc(C)[n-]c1=O ZINC001210255333 940674912 /nfs/dbraw/zinc/67/49/12/940674912.db2.gz RZCNXMCCMDWHLX-UHFFFAOYSA-N -2 3 275.264 1.941 20 0 CDADHL COC[C@@H](C)OC[C@H](C)OCCCCP(=O)([O-])[O-] ZINC001225019649 941814342 /nfs/dbraw/zinc/81/43/42/941814342.db2.gz ZKTZMMQLTZXOHE-MNOVXSKESA-N -2 3 284.289 1.401 20 0 CDADHL C[C@@H](CCc1ccccc1)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227569139 942190791 /nfs/dbraw/zinc/19/07/91/942190791.db2.gz TZRYTNBNLFZXTD-VIFPVBQESA-N -2 3 261.281 1.683 20 0 CDADHL C[C@@H](COCc1ccccc1)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227570785 942190999 /nfs/dbraw/zinc/19/09/99/942190999.db2.gz NZEWMYHNUOWDNF-VIFPVBQESA-N -2 3 277.280 1.267 20 0 CDADHL C[C@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1ccncc1 ZINC001233934184 943693611 /nfs/dbraw/zinc/69/36/11/943693611.db2.gz HNRWZLGCMSHJDO-ZETCQYMHSA-N -2 3 257.253 1.181 20 0 CDADHL CC(C)CCOC(=O)[C@@H](C)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233938815 943695269 /nfs/dbraw/zinc/69/52/69/943695269.db2.gz FZVFFNXBPBWCEX-MRVPVSSYSA-N -2 3 294.311 1.003 20 0 CDADHL CC(=O)c1cccc([O-])c1[N-]S(=O)(=O)C1CCOCC1 ZINC001259915402 945699882 /nfs/dbraw/zinc/69/98/82/945699882.db2.gz DOVUFQIVWRRAPA-UHFFFAOYSA-N -2 3 299.348 1.516 20 0 CDADHL O=C([O-])c1ccnc(NC(=O)c2c([O-])cccc2O)c1 ZINC000232429460 949770463 /nfs/dbraw/zinc/77/04/63/949770463.db2.gz UOSAZIQNOFBYPN-UHFFFAOYSA-N -2 3 274.232 1.443 20 0 CDADHL O=C([O-])c1cc(NC(=O)c2cc([O-])ccc2Cl)[nH]n1 ZINC000236464387 949912821 /nfs/dbraw/zinc/91/28/21/949912821.db2.gz XBQPMFRNRVBGGI-UHFFFAOYSA-N -2 3 281.655 1.719 20 0 CDADHL CCOc1nc(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)n[n-]1 ZINC001593060725 951396263 /nfs/dbraw/zinc/39/62/63/951396263.db2.gz NDKVRFVLNJXAKT-QMMMGPOBSA-N -2 3 282.300 1.033 20 0 CDADHL CCOc1n[n-]c(NC(=O)[C@@H](C(=O)[O-])C2CCCC2)n1 ZINC001593060725 951396278 /nfs/dbraw/zinc/39/62/78/951396278.db2.gz NDKVRFVLNJXAKT-QMMMGPOBSA-N -2 3 282.300 1.033 20 0 CDADHL CC(C)([N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000040910582 957381191 /nfs/dbraw/zinc/38/11/91/957381191.db2.gz GNVQADKSHTZXHZ-UHFFFAOYSA-N -2 3 295.719 1.621 20 0 CDADHL COc1cc(C)c(C)cc1[N-]S(=O)(=O)CCC(=O)[O-] ZINC000098165544 958356728 /nfs/dbraw/zinc/35/67/28/958356728.db2.gz YOXKPOGUVPJIPL-UHFFFAOYSA-N -2 3 287.337 1.528 20 0 CDADHL Cc1nc2c(c(=O)[n-]1)CN(Cc1ccc(C(=O)[O-])cc1)C2 ZINC001594460329 959449899 /nfs/dbraw/zinc/44/98/99/959449899.db2.gz GRURUDNDFUSXBV-UHFFFAOYSA-N -2 3 285.303 1.705 20 0 CDADHL Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CCCC(=O)[O-])n1 ZINC001574307336 960747740 /nfs/dbraw/zinc/74/77/40/960747740.db2.gz ZURWMBHKJUVIDX-UHFFFAOYSA-N -2 3 281.312 1.097 20 0 CDADHL O=C([O-])CC1(C(=O)[N-]OCCOc2ccccc2)CCC1 ZINC001606071476 973216899 /nfs/dbraw/zinc/21/68/99/973216899.db2.gz BPIDWSPALPBJKS-UHFFFAOYSA-N -2 3 293.319 1.758 20 0 CDADHL Cc1cccc([O-])c1C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC000706563191 977354352 /nfs/dbraw/zinc/35/43/52/977354352.db2.gz TZLMOHNUESSLEG-NSHDSACASA-N -2 3 277.320 1.931 20 0 CDADHL COC(C)(C)[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000720071210 978025653 /nfs/dbraw/zinc/02/56/53/978025653.db2.gz VXNGFLYPBJIMPS-SSDOTTSWSA-N -2 3 291.325 1.070 20 0 CDADHL CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1conc1C)C(=O)[O-] ZINC001594951785 982661342 /nfs/dbraw/zinc/66/13/42/982661342.db2.gz BLXRMMUCGBHCPE-VXNVDRBHSA-N -2 3 290.341 1.151 20 0 CDADHL Cc1[nH]c(C(=O)NCc2ncccc2[O-])c(C)c1C(=O)[O-] ZINC001599952527 985633545 /nfs/dbraw/zinc/63/35/45/985633545.db2.gz QPXABQYBSCJIQV-UHFFFAOYSA-N -2 3 289.291 1.360 20 0 CDADHL CC(C)(CC(=O)[N-]OCCCC(=O)[O-])CC(F)F ZINC001590621939 990305015 /nfs/dbraw/zinc/30/50/15/990305015.db2.gz VENTUPCEPIGWDG-UHFFFAOYSA-N -2 3 267.272 1.971 20 0 CDADHL CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1cc(=O)[n-]cn1 ZINC001591312927 992273578 /nfs/dbraw/zinc/27/35/78/992273578.db2.gz CCGVHRNXOZXWLD-UHFFFAOYSA-N -2 3 295.339 1.391 20 0 CDADHL CC1(C)CC[C@H]([N-]S(=O)(=O)c2occc2C(=O)[O-])C1 ZINC001593881760 996712182 /nfs/dbraw/zinc/71/21/82/996712182.db2.gz HARLLVPFIYHASR-QMMMGPOBSA-N -2 3 287.337 1.835 20 0 CDADHL CCc1ccc(C(=O)N[C@@](C)(CC)C(=O)[O-])c([O-])c1 ZINC001605804597 1163677125 /nfs/dbraw/zinc/67/71/25/1163677125.db2.gz KJKWZEXSAIPXBA-AWEZNQCLSA-N -2 3 265.309 1.938 20 0 CDADHL O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000070524766 1171667208 /nfs/dbraw/zinc/66/72/08/1171667208.db2.gz UUVYZRYKTXJJJL-KOLCDFICSA-N -2 3 279.292 1.471 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@@H](C)CC(=O)[O-])c(F)c1F ZINC000629292320 361815617 /nfs/dbraw/zinc/81/56/17/361815617.db2.gz IDFDEDNLNVVVMA-ZETCQYMHSA-N -2 3 293.291 1.415 20 0 CDADHL CCOC(=O)c1ncc(NC(=O)c2ccc(C)cc2[O-])[n-]1 ZINC000618918956 348490158 /nfs/dbraw/zinc/49/01/58/348490158.db2.gz ACDLAKCIPLNBER-UHFFFAOYSA-N -2 3 289.291 1.853 20 0 CDADHL CCOC(=O)c1nc(NC(=O)c2ccc(C)cc2[O-])c[n-]1 ZINC000618918956 348490161 /nfs/dbraw/zinc/49/01/61/348490161.db2.gz ACDLAKCIPLNBER-UHFFFAOYSA-N -2 3 289.291 1.853 20 0 CDADHL CCC[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1nnn[n-]1 ZINC000092424845 180383798 /nfs/dbraw/zinc/38/37/98/180383798.db2.gz CKGSGRQTXCQXIN-VIFPVBQESA-N -2 3 295.730 1.830 20 0 CDADHL CCC[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1nn[n-]n1 ZINC000092424845 180383799 /nfs/dbraw/zinc/38/37/99/180383799.db2.gz CKGSGRQTXCQXIN-VIFPVBQESA-N -2 3 295.730 1.830 20 0 CDADHL C/C=C\C[C@H](NC(=O)c1ccc(C)cc1[O-])C(=O)[O-] ZINC000569777011 363053068 /nfs/dbraw/zinc/05/30/68/363053068.db2.gz HHADPIXVQSZNPX-BYCRGOAPSA-N -2 3 263.293 1.850 20 0 CDADHL CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000399519550 356008487 /nfs/dbraw/zinc/00/84/87/356008487.db2.gz OEPMJEGSNDWUCD-PSASIEDQSA-N -2 3 291.394 1.772 20 0 CDADHL Cc1cccc(C(=O)N[C@H](CC(C)C)C(=O)[O-])c1[O-] ZINC000019807153 356506676 /nfs/dbraw/zinc/50/66/76/356506676.db2.gz CBFAKZFUDAFXMN-LLVKDONJSA-N -2 3 265.309 1.930 20 0 CDADHL COc1ccc([O-])c(C(=O)NC2(C(=O)[O-])CCC2)c1 ZINC000164896759 363556917 /nfs/dbraw/zinc/55/69/17/363556917.db2.gz LUGRLTCPZZVMQR-UHFFFAOYSA-N -2 3 265.265 1.138 20 0 CDADHL CC(C)OCCS(=O)(=O)[N-]c1ccccc1[O-] ZINC000093666423 358623954 /nfs/dbraw/zinc/62/39/54/358623954.db2.gz LNFREPNUFVCWNI-UHFFFAOYSA-N -2 3 259.327 1.559 20 0 CDADHL Cc1nc2cc(C(=O)N=c3ccc([O-])n[n-]3)ccc2o1 ZINC000348513678 360119468 /nfs/dbraw/zinc/11/94/68/360119468.db2.gz SWZKDDHHUPERRW-UHFFFAOYSA-N -2 3 270.248 1.306 20 0 CDADHL C[C@@H]1CCN(C(=O)c2ccc3n[n-]nc3c2)[C@H](C(=O)[O-])C1 ZINC000125248975 361266489 /nfs/dbraw/zinc/26/64/89/361266489.db2.gz ZOENBFDLVVIQPP-PELKAZGASA-N -2 3 288.307 1.283 20 0 CDADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccco1 ZINC000436477402 361518889 /nfs/dbraw/zinc/51/88/89/361518889.db2.gz LKWIPDCHQSUCAH-UHFFFAOYSA-N -2 3 297.288 1.573 20 0 CDADHL COc1ccc(C(=O)NCc2cnc(C)[n-]c2=O)c([O-])c1 ZINC000436828614 361585773 /nfs/dbraw/zinc/58/57/73/361585773.db2.gz QRSYWJZGYPKDRL-UHFFFAOYSA-N -2 3 289.291 1.135 20 0 CDADHL CC1(C)C[C@H]1C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000572517253 367059605 /nfs/dbraw/zinc/05/96/05/367059605.db2.gz IFXHAWWJBZGYOY-LURJTMIESA-N -2 3 290.366 1.166 20 0 CDADHL CCC(CC)C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000582001075 373492472 /nfs/dbraw/zinc/49/24/72/373492472.db2.gz VKBJYUUMLICXAF-UHFFFAOYSA-N -2 3 275.326 1.692 20 0 CDADHL O=C(C=Cc1c(F)cccc1F)N=c1ccc([O-])n[n-]1 ZINC000492742406 253285311 /nfs/dbraw/zinc/28/53/11/253285311.db2.gz UXHFFTDVVZERFS-XQRVVYSFSA-N -2 3 277.230 1.534 20 0 CDADHL C[C@@H]1CCCN(C(=O)c2ccc3n[n-]nc3c2)[C@H]1C(=O)[O-] ZINC000235390916 296381367 /nfs/dbraw/zinc/38/13/67/296381367.db2.gz MSFACTYRHQLHRC-PRHODGIISA-N -2 3 288.307 1.283 20 0 CDADHL C[C@@H](OCCc1ccccc1)C(=O)N=c1ccc([O-])n[n-]1 ZINC000410715919 391328232 /nfs/dbraw/zinc/32/82/32/391328232.db2.gz GGZHZMGWBIJLDI-LLVKDONJSA-N -2 3 287.319 1.190 20 0 CDADHL CC[C@@H](CS(=O)(=O)[N-]c1ccc(C)cc1[O-])OC ZINC000421138969 391824334 /nfs/dbraw/zinc/82/43/34/391824334.db2.gz JJKJMXHYMMADTK-JTQLQIEISA-N -2 3 273.354 1.867 20 0 CDADHL CC[C@H](CS(=O)(=O)[N-]c1cc(OC)ccc1[O-])OC ZINC000421145260 391824634 /nfs/dbraw/zinc/82/46/34/391824634.db2.gz CTDXPQDXXCZWGW-SECBINFHSA-N -2 3 289.353 1.568 20 0 CDADHL C/C=C/C[C@@H]([N-]S(=O)(=O)c1cc(C)cs1)C(=O)[O-] ZINC000646041455 391928223 /nfs/dbraw/zinc/92/82/23/391928223.db2.gz YNPHQLLBPGHVGJ-CDAZIORVSA-N -2 3 289.378 1.754 20 0 CDADHL O=C([O-])Cc1cccc(NC(=O)c2ccc3n[n-]nc3c2)c1 ZINC000115659520 147267297 /nfs/dbraw/zinc/26/72/97/147267297.db2.gz JWQKBKOFWFLYQC-UHFFFAOYSA-N -2 3 296.286 1.837 20 0 CDADHL O=C(N=c1ccc([O-])n[n-]1)c1cccc2cccnc21 ZINC000362171337 159090428 /nfs/dbraw/zinc/09/04/28/159090428.db2.gz JPTIUGJBERUVOO-UHFFFAOYSA-N -2 3 266.260 1.405 20 0 CDADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000035295997 172107726 /nfs/dbraw/zinc/10/77/26/172107726.db2.gz VIIIGHKKEZOUGJ-UHFFFAOYSA-N -2 3 297.254 1.154 20 0 CDADHL C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000037406092 173182154 /nfs/dbraw/zinc/18/21/54/173182154.db2.gz XMJLYSYHBSVNKR-RXMQYKEDSA-N -2 3 298.147 1.745 20 0 CDADHL C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000037413166 173189495 /nfs/dbraw/zinc/18/94/95/173189495.db2.gz GLSLOEUVLCWERW-YFKPBYRVSA-N -2 3 283.758 1.543 20 0 CDADHL O=C([O-])CCS(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000037464080 173225403 /nfs/dbraw/zinc/22/54/03/173225403.db2.gz QIGOQXBINLQGOY-UHFFFAOYSA-N -2 3 281.692 1.696 20 0 CDADHL C[C@H](CNC(=O)NCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000655869203 414279620 /nfs/dbraw/zinc/27/96/20/414279620.db2.gz AJVILGUECNYFRE-SSDOTTSWSA-N -2 3 270.260 1.051 20 0 CDADHL CCc1n[n-]c([N-]C(=O)c2occc2Br)n1 ZINC000182295905 262368081 /nfs/dbraw/zinc/36/80/81/262368081.db2.gz UOUWWCBBABUIPW-UHFFFAOYSA-N -2 3 285.101 1.975 20 0 CDADHL Cc1cccc(C(=O)N(CC(=O)[O-])C2CCC2)c1[O-] ZINC000655588714 424117239 /nfs/dbraw/zinc/11/72/39/424117239.db2.gz ONMJDHFQILRDDF-UHFFFAOYSA-N -2 3 263.293 1.780 20 0 CDADHL CC1(C)C[C@H]1C[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000232911446 280122720 /nfs/dbraw/zinc/12/27/20/280122720.db2.gz UIZFBPAIBJVMRV-LURJTMIESA-N -2 3 290.366 1.166 20 0 CDADHL CCc1ccc([O-])c(C(=O)NCCc2c(C)[n-][nH]c2=O)c1 ZINC000522290330 281096584 /nfs/dbraw/zinc/09/65/84/281096584.db2.gz SXTLMVCHCUCCTR-LLVKDONJSA-N -2 3 289.335 1.196 20 0 CDADHL O=C([O-])[C@@H](CC1CCC1)[N-]S(=O)(=O)c1cccs1 ZINC000562311798 293132844 /nfs/dbraw/zinc/13/28/44/293132844.db2.gz MJZZFABALLCYBH-SECBINFHSA-N -2 3 289.378 1.670 20 0 CDADHL Cc1cc(=O)[n-]c([C@@H](C)N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)n1 ZINC000583446068 325177724 /nfs/dbraw/zinc/17/77/24/325177724.db2.gz MYORTYPUVRIFPJ-PJCOJXEDSA-N -2 3 279.340 1.594 20 0 CDADHL Cc1csc(S(=O)(=O)[N-]CCC[C@@H](C)C(=O)[O-])c1 ZINC000584454295 329485781 /nfs/dbraw/zinc/48/57/81/329485781.db2.gz KZDTXJXGZPOFAF-SECBINFHSA-N -2 3 291.394 1.836 20 0 CDADHL O=C(c1ccc([O-])c(F)c1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000681058813 482677242 /nfs/dbraw/zinc/67/72/42/482677242.db2.gz RKDFIENTGAPFRU-SECBINFHSA-N -2 3 291.286 1.064 20 0 CDADHL O=C(c1ccc([O-])c(F)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000681058813 482677247 /nfs/dbraw/zinc/67/72/47/482677247.db2.gz RKDFIENTGAPFRU-SECBINFHSA-N -2 3 291.286 1.064 20 0 CDADHL COc1ccc(NC(=O)C2=C([O-])C(C)N=N2)c([O-])c1 ZINC000682364395 483204186 /nfs/dbraw/zinc/20/41/86/483204186.db2.gz KOXGJWQZHSIBLF-UHFFFAOYSA-N -2 3 263.253 1.390 20 0 CDADHL COC(=O)c1cc(C(=O)[N-]c2nc(Cl)ccc2[O-])on1 ZINC000790047249 1162124949 /nfs/dbraw/zinc/12/49/49/1162124949.db2.gz BENAUFFBKTYHEP-UHFFFAOYSA-N -2 3 297.654 1.468 20 0 CDADHL Cn1c(C(=O)[O-])ccc1C(=O)Nc1cccc([O-])c1F ZINC001600906719 1174658623 /nfs/dbraw/zinc/65/86/23/1174658623.db2.gz QCUTZTSKVCADGE-UHFFFAOYSA-N -2 3 278.239 1.820 20 0 CDADHL O=C([O-])[C@H](F)CSc1n[n-]c(-c2ccccn2)n1 ZINC000739503669 576242119 /nfs/dbraw/zinc/24/21/19/576242119.db2.gz VKMDUADGAAIVAC-ZCFIWIBFSA-N -2 3 268.273 1.382 20 0 CDADHL CCc1ccc([O-])c(C(=O)N(CC(=O)[O-])C(C)C)c1 ZINC000263418472 598149072 /nfs/dbraw/zinc/14/90/72/598149072.db2.gz KPWWLVQUJNUDAA-UHFFFAOYSA-N -2 3 265.309 1.890 20 0 CDADHL Cc1cc(=O)[n-]c(CN2Cc3ccc(C(=O)[O-])cc3C2)n1 ZINC000832899585 602312105 /nfs/dbraw/zinc/31/21/05/602312105.db2.gz QLFPCUBDPLKOJR-UHFFFAOYSA-N -2 3 285.303 1.705 20 0 CDADHL O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1[O-] ZINC000093909667 608752679 /nfs/dbraw/zinc/75/26/79/608752679.db2.gz NXLQCVWGWUUADA-UHFFFAOYSA-N -2 3 299.265 1.964 20 0 CDADHL O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1[O-] ZINC000093909667 608752682 /nfs/dbraw/zinc/75/26/82/608752682.db2.gz NXLQCVWGWUUADA-UHFFFAOYSA-N -2 3 299.265 1.964 20 0 CDADHL O=C([O-])CN(C(=O)Cc1ccc([O-])c(F)c1)C1CCC1 ZINC000910076032 628861807 /nfs/dbraw/zinc/86/18/07/628861807.db2.gz IWXPTFPSWHPVMS-UHFFFAOYSA-N -2 3 281.283 1.540 20 0 CDADHL O=C([O-])c1ccc(CC(=O)[N-]OCC(F)F)cc1 ZINC000911803635 629533332 /nfs/dbraw/zinc/53/33/32/629533332.db2.gz SUWKYGMIRYGCDE-UHFFFAOYSA-N -2 3 259.208 1.240 20 0 CDADHL Cc1cccc(CO[N-]C(=O)C23CC(C(=O)[O-])(C2)C3)n1 ZINC000911819927 629547588 /nfs/dbraw/zinc/54/75/88/629547588.db2.gz BZJHGKJYKXBVPJ-UHFFFAOYSA-N -2 3 276.292 1.193 20 0 CDADHL O=C([O-])C12CCC(C(=O)NCc3ncccc3[O-])(CC1)C2 ZINC001608583371 1164557370 /nfs/dbraw/zinc/55/73/70/1164557370.db2.gz XUNVMGQZLUKXTE-UHFFFAOYSA-N -2 3 290.319 1.439 20 0 CDADHL O=C([O-])C[C@@H](O)CNC(=O)c1cc([O-])c2ccccc2c1 ZINC001608675998 1164599435 /nfs/dbraw/zinc/59/94/35/1164599435.db2.gz SWQNIXGBWVRQJQ-LLVKDONJSA-N -2 3 289.287 1.111 20 0 CDADHL O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2c([O-])cccc2Cl)O1 ZINC001608804335 1164644084 /nfs/dbraw/zinc/64/40/84/1164644084.db2.gz LBFWLMPUWZJQDR-BDAKNGLRSA-N -2 3 285.683 1.616 20 0 CDADHL Cc1cc(=O)[n-]c([C@@H](C)N2CCC(CC(=O)[O-])CC2)n1 ZINC001610475534 1165326411 /nfs/dbraw/zinc/32/64/11/1165326411.db2.gz AOHNMIJRKOUAAF-SNVBAGLBSA-N -2 3 279.340 1.738 20 0 CDADHL Cc1coc(C(=O)NCc2nc([O-])cc(=O)[n-]2)c1C ZINC001634157365 1166476684 /nfs/dbraw/zinc/47/66/84/1166476684.db2.gz FXISVQUANAKGOI-UHFFFAOYSA-N -2 3 263.253 1.028 20 0 CDADHL O=C(NCc1n[nH]c(=O)[n-]1)c1cc2sccc2c([O-])c1 ZINC001635290612 1166576206 /nfs/dbraw/zinc/57/62/06/1166576206.db2.gz UXAZSKOLWYYVHP-UHFFFAOYSA-N -2 3 290.304 1.361 20 0 CDADHL O=C([O-])CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000095150766 1166596859 /nfs/dbraw/zinc/59/68/59/1166596859.db2.gz YXYLFSBEGJNXES-UHFFFAOYSA-N -2 3 270.701 1.697 20 0 CDADHL O=C([O-])CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000095150766 1166596866 /nfs/dbraw/zinc/59/68/66/1166596866.db2.gz YXYLFSBEGJNXES-UHFFFAOYSA-N -2 3 270.701 1.697 20 0 CDADHL CN(C(=O)c1ccc2ccccc2c1[O-])c1nnn[n-]1 ZINC001585910674 1172921872 /nfs/dbraw/zinc/92/18/72/1172921872.db2.gz KCCBGVMJKPFWTF-UHFFFAOYSA-N -2 3 269.264 1.335 20 0 CDADHL CN(C(=O)c1ccc2ccccc2c1[O-])c1nn[n-]n1 ZINC001585910674 1172921878 /nfs/dbraw/zinc/92/18/78/1172921878.db2.gz KCCBGVMJKPFWTF-UHFFFAOYSA-N -2 3 269.264 1.335 20 0 CDADHL CO[N-]C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001591467406 1173657381 /nfs/dbraw/zinc/65/73/81/1173657381.db2.gz NMGCFLFDRVXRGV-UHFFFAOYSA-N -2 3 287.323 1.356 20 0 CDADHL CO[N-]C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001591467406 1173657385 /nfs/dbraw/zinc/65/73/85/1173657385.db2.gz NMGCFLFDRVXRGV-UHFFFAOYSA-N -2 3 287.323 1.356 20 0 CDADHL O=C([O-])[C@H](NC(=O)c1cccc2n[n-]nc21)c1ccccc1 ZINC001601565205 1174899806 /nfs/dbraw/zinc/89/98/06/1174899806.db2.gz TUZFFMPCIAQVTA-GFCCVEGCSA-N -2 3 296.286 1.514 20 0 CDADHL O=S(=O)(CCc1ccccc1)[N-]c1ncccc1[O-] ZINC000134772229 1175820856 /nfs/dbraw/zinc/82/08/56/1175820856.db2.gz FNHZDDJXTHRMTB-UHFFFAOYSA-N -2 3 278.333 1.772 20 0 CDADHL COC[C@@](C)(NC(=O)c1cc(SC)ccc1[O-])C(=O)[O-] ZINC001606790368 1163994231 /nfs/dbraw/zinc/99/42/31/1163994231.db2.gz ZPFRSIWYUKBYMU-CYBMUJFWSA-N -2 3 299.348 1.334 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CC1CCCCC1 ZINC000871993572 728940120 /nfs/dbraw/zinc/94/01/20/728940120.db2.gz OQTASQCPERLUFR-UHFFFAOYSA-N -2 3 287.337 1.836 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)CCc1ccccc1 ZINC001608716356 1164619069 /nfs/dbraw/zinc/61/90/69/1164619069.db2.gz IZYUHPKGUBVCRD-UHFFFAOYSA-N -2 3 251.282 1.532 20 0 CDADHL C[C@@H](CNC(=O)c1cc([O-])ccc1Cl)C(=O)[O-] ZINC000235170701 729258261 /nfs/dbraw/zinc/25/82/61/729258261.db2.gz AHOBYDYAOAGLGG-LURJTMIESA-N -2 3 257.673 1.496 20 0 CDADHL CCN(C(=O)NCc1ccc([O-])c(F)c1)C(C)(C)C(=O)[O-] ZINC000929014861 729475746 /nfs/dbraw/zinc/47/57/46/729475746.db2.gz QFROREUURPSGCZ-UHFFFAOYSA-N -2 3 298.314 1.926 20 0 CDADHL O=C([O-])C1CC(NC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000874392769 729566650 /nfs/dbraw/zinc/56/66/50/729566650.db2.gz AXYIXRFLAAQVSH-UHFFFAOYSA-N -2 3 282.271 1.194 20 0 CDADHL C[C@H](CC1CCC1)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871997243 730067026 /nfs/dbraw/zinc/06/70/26/730067026.db2.gz RFPMYCRCEMASPN-MRVPVSSYSA-N -2 3 287.337 1.835 20 0 CDADHL CCOC(=O)c1cc(NC(=O)CC(C)(C)CC(=O)[O-])[n-]n1 ZINC001610022571 1165187971 /nfs/dbraw/zinc/18/79/71/1165187971.db2.gz WISWKAGALVSLIX-UHFFFAOYSA-N -2 3 297.311 1.416 20 0 CDADHL CCOC(=O)c1cc(NC(=O)CC(C)(C)CC(=O)[O-])n[n-]1 ZINC001610022571 1165187972 /nfs/dbraw/zinc/18/79/72/1165187972.db2.gz WISWKAGALVSLIX-UHFFFAOYSA-N -2 3 297.311 1.416 20 0 CDADHL O=P([O-])([O-])CCNC(=S)Nc1ccccc1 ZINC001200842661 969004293 /nfs/dbraw/zinc/00/42/93/969004293.db2.gz TURUMPGUKBVLND-UHFFFAOYSA-N -2 3 260.255 1.151 20 0 CDADHL C[C@@H](CC(=O)[O-])Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000095241495 1166613995 /nfs/dbraw/zinc/61/39/95/1166613995.db2.gz AFKMQNQAKPXJJI-LURJTMIESA-N -2 3 292.255 1.050 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CC12CCC(CC1)C2 ZINC001602488038 1167821322 /nfs/dbraw/zinc/82/13/22/1167821322.db2.gz BEQXPHIQBCHVOG-UHFFFAOYSA-N -2 3 299.348 1.836 20 0 CDADHL Cc1ccc(C(=O)[O-])cc1Nc1c(N)[nH]c(=O)[n-]c1=O ZINC001174981875 913430217 /nfs/dbraw/zinc/43/02/17/913430217.db2.gz QQCMWJRGROOCAM-UHFFFAOYSA-N -2 3 276.252 1.220 20 0 CDADHL O=C([O-])C(F)(F)C(F)(F)C(=O)[N-]C[C@H]1C[C@H](F)C1 ZINC001180177033 916173995 /nfs/dbraw/zinc/17/39/95/916173995.db2.gz XYVXICJDLAGCTM-URHBZAFASA-N -2 3 275.173 1.206 20 0 CDADHL O=S(=O)([N-]c1ccc(F)c([O-])c1)c1ccoc1 ZINC001188607740 921089751 /nfs/dbraw/zinc/08/97/51/921089751.db2.gz HZAGQMHLKGNNRE-UHFFFAOYSA-N -2 3 257.242 1.925 20 0 CDADHL O=S(=O)([N-]c1cc([O-])cc(Cl)c1)c1ncc[nH]1 ZINC001190730293 922158400 /nfs/dbraw/zinc/15/84/00/922158400.db2.gz BMLWOYCQZNKKFD-UHFFFAOYSA-N -2 3 273.701 1.570 20 0 CDADHL Cc1nc(NC(=O)c2c([O-])ccc(F)c2F)cc(=O)[n-]1 ZINC001192730540 923207090 /nfs/dbraw/zinc/20/70/90/923207090.db2.gz XHXBXYSSIUWQSU-UHFFFAOYSA-N -2 3 281.218 1.727 20 0 CDADHL Cc1sccc1C(=O)NCCCCP(=O)([O-])[O-] ZINC001193386533 923651775 /nfs/dbraw/zinc/65/17/75/923651775.db2.gz OPWIPPZOPMGBJK-UHFFFAOYSA-N -2 3 277.282 1.744 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1cc2ccoc2cn1 ZINC001153316517 937438594 /nfs/dbraw/zinc/43/85/94/937438594.db2.gz PYUUXEVQFFXVPS-UHFFFAOYSA-N -2 3 298.235 1.516 20 0 CDADHL O=C(Nc1nnn[n-]1)c1ccc2ccc(O)cc2c1[O-] ZINC001147752834 932602779 /nfs/dbraw/zinc/60/27/79/932602779.db2.gz VGTDBSAOIKKLNN-UHFFFAOYSA-N -2 3 271.236 1.016 20 0 CDADHL O=C(Nc1nn[n-]n1)c1ccc2ccc(O)cc2c1[O-] ZINC001147752834 932602783 /nfs/dbraw/zinc/60/27/83/932602783.db2.gz VGTDBSAOIKKLNN-UHFFFAOYSA-N -2 3 271.236 1.016 20 0 CDADHL O=P([O-])([O-])CCOC[C@@H]1CC[C@]2(CCCCO2)O1 ZINC001224601463 941774110 /nfs/dbraw/zinc/77/41/10/941774110.db2.gz HKAPARCZJXMXMU-QWRGUYRKSA-N -2 3 280.257 1.257 20 0 CDADHL O=C([O-])c1ccc(-c2ccc(-c3nnn[n-]3)cc2)nn1 ZINC001241444076 946293601 /nfs/dbraw/zinc/29/36/01/946293601.db2.gz JXXDKRXIMHGUMM-UHFFFAOYSA-N -2 3 268.236 1.022 20 0 CDADHL O=C([O-])c1ccc(-c2ccc(-c3nn[n-]n3)cc2)nn1 ZINC001241444076 946293612 /nfs/dbraw/zinc/29/36/12/946293612.db2.gz JXXDKRXIMHGUMM-UHFFFAOYSA-N -2 3 268.236 1.022 20 0 CDADHL NCc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cn1 ZINC001242161860 946613383 /nfs/dbraw/zinc/61/33/83/946613383.db2.gz LOLPWDLIPUYSSN-UHFFFAOYSA-N -2 3 272.260 1.604 20 0 CDADHL CSc1nc(=O)[n-]c(C)c1C(=O)[N-]OC1CCOCC1 ZINC001255163105 947760585 /nfs/dbraw/zinc/76/05/85/947760585.db2.gz APTGXSHYIKUKBR-UHFFFAOYSA-N -2 3 299.352 1.053 20 0 CDADHL O=C([O-])[C@H]1CCCN(C(=O)c2c([O-])cccc2O)C1 ZINC000232428578 949770646 /nfs/dbraw/zinc/77/06/46/949770646.db2.gz CHRCXNPXULKPGA-QMMMGPOBSA-N -2 3 265.265 1.035 20 0 CDADHL COc1cccc([O-])c1C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000404725617 953381505 /nfs/dbraw/zinc/38/15/05/953381505.db2.gz NNOKVRNKNMMWAC-CQSZACIVSA-N -2 3 279.292 1.338 20 0 CDADHL COCc1csc(C(=O)NCc2nc([O-])cc(=O)[n-]2)c1 ZINC001364208682 954325407 /nfs/dbraw/zinc/32/54/07/954325407.db2.gz VUMFZFIUKIGZRJ-UHFFFAOYSA-N -2 3 295.320 1.026 20 0 CDADHL O=C([O-])c1c[nH]nc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC001594707305 956847518 /nfs/dbraw/zinc/84/75/18/956847518.db2.gz DPBVSZIKKJVMQZ-UHFFFAOYSA-N -2 3 279.227 1.134 20 0 CDADHL O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000094743859 958303090 /nfs/dbraw/zinc/30/30/90/958303090.db2.gz GVQIWRXIOOTJKK-PWSUYJOCSA-N -2 3 293.319 1.861 20 0 CDADHL Cc1ccc(C(=O)Nc2n[nH]cc2C(=O)[O-])c([O-])c1C ZINC001574357717 961010546 /nfs/dbraw/zinc/01/05/46/961010546.db2.gz WSPVSFFRGWXBQF-UHFFFAOYSA-N -2 3 275.264 1.683 20 0 CDADHL O=C([O-])C[C@H](CNC(=O)c1ccc(O)cc1[O-])C1CC1 ZINC000690512697 976312202 /nfs/dbraw/zinc/31/22/02/976312202.db2.gz KDMRUMNWICMVMC-SECBINFHSA-N -2 3 279.292 1.329 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]C2(C3CCC3)CC2)c1 ZINC000697382901 976842072 /nfs/dbraw/zinc/84/20/72/976842072.db2.gz VFZLOUQDSMAGIQ-UHFFFAOYSA-N -2 3 285.321 1.589 20 0 CDADHL CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000710641660 977517237 /nfs/dbraw/zinc/51/72/37/977517237.db2.gz PMKXUKOHLSYUBD-WCBMZHEXSA-N -2 3 287.337 1.835 20 0 CDADHL CCC1([N-]S(=O)(=O)c2occc2C(=O)[O-])CCCC1 ZINC001595391796 980949402 /nfs/dbraw/zinc/94/94/02/980949402.db2.gz FTTHLXJXOCDPTC-UHFFFAOYSA-N -2 3 287.337 1.979 20 0 CDADHL CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cscn1)C(=O)[O-] ZINC001594952612 982672243 /nfs/dbraw/zinc/67/22/43/982672243.db2.gz JZCKPGOKJDJAGJ-SFYZADRCSA-N -2 3 292.382 1.311 20 0 CDADHL CC(C)(C)[C@H](NC(=O)c1ccc(N)cc1[O-])C(=O)[O-] ZINC001589718507 987875545 /nfs/dbraw/zinc/87/55/45/987875545.db2.gz OKUFFIREFPSFMZ-SNVBAGLBSA-N -2 3 266.297 1.204 20 0 CDADHL CCc1cccc(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1[O-] ZINC001597570628 988347920 /nfs/dbraw/zinc/34/79/20/988347920.db2.gz URWYVDOLDXEYGV-GDNZZTSVSA-N -2 3 275.304 1.357 20 0 CDADHL C[C@@H]([N-]S(=O)(=O)CCCCCC(=O)[O-])C(F)F ZINC001593319372 994845613 /nfs/dbraw/zinc/84/56/13/994845613.db2.gz NOWWHQAWSRJXFM-SSDOTTSWSA-N -2 3 273.301 1.204 20 0 CDADHL O=C([O-])[C@@H]1[C@@H]2CCN(Cc3c(F)ccc([O-])c3F)C[C@@H]21 ZINC001574400332 1170971272 /nfs/dbraw/zinc/97/12/72/1170971272.db2.gz KSGHJHGAFRDWRA-RGNHYFCHSA-N -2 3 283.274 1.823 20 0 CDADHL CN(Cc1n[n-]c(=O)o1)Cc1cc([O-])ccc1Cl ZINC000625483605 342173664 /nfs/dbraw/zinc/17/36/64/342173664.db2.gz LISIODQJOWUALT-UHFFFAOYSA-N -2 3 269.688 1.766 20 0 CDADHL COCC1(S(=O)(=O)[N-]c2ccc(C)cc2[O-])CC1 ZINC000641689271 365735693 /nfs/dbraw/zinc/73/56/93/365735693.db2.gz RDWQPSIIAYUOQN-UHFFFAOYSA-N -2 3 271.338 1.621 20 0 CDADHL Cc1ccc(C(=O)N2CCSC[C@H]2CC(=O)[O-])c([O-])c1 ZINC000091128075 180099208 /nfs/dbraw/zinc/09/92/08/180099208.db2.gz DNFOECYNALGSPD-SNVBAGLBSA-N -2 3 295.360 1.733 20 0 CDADHL Cc1ccc(C(=O)N2CCSC[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC000621604409 350669809 /nfs/dbraw/zinc/66/98/09/350669809.db2.gz GNFSXGMDEGFGIN-JTQLQIEISA-N -2 3 295.360 1.590 20 0 CDADHL CSc1nc(C)c(CCC(=O)[N-]OCC(C)C)c(=O)[n-]1 ZINC000153340863 188077283 /nfs/dbraw/zinc/07/72/83/188077283.db2.gz VTYVWXMAYQUCTC-UHFFFAOYSA-N -2 3 299.396 1.437 20 0 CDADHL Cc1cccc([O-])c1C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000628032312 356395716 /nfs/dbraw/zinc/39/57/16/356395716.db2.gz VMCMAOUIHBKQSX-GFCCVEGCSA-N -2 3 287.319 1.949 20 0 CDADHL CCC[C@@H](NC(=O)c1cc(OC)ccc1[O-])C(=O)[O-] ZINC000036837018 356885990 /nfs/dbraw/zinc/88/59/90/356885990.db2.gz STVMSHHAYXJZFK-SNVBAGLBSA-N -2 3 267.281 1.384 20 0 CDADHL O=C(NCc1n[n-]c(=S)n1C1CC1)c1ncccc1[O-] ZINC000066638544 357574938 /nfs/dbraw/zinc/57/49/38/357574938.db2.gz CUENPAKJPOJCPY-UHFFFAOYSA-N -2 3 291.336 1.306 20 0 CDADHL Cc1nnsc1C(=O)[N-]c1n[n-]c(C(F)(F)F)n1 ZINC000190457308 358073722 /nfs/dbraw/zinc/07/37/22/358073722.db2.gz SNZMCBBHQKJUBM-UHFFFAOYSA-N -2 3 278.219 1.236 20 0 CDADHL CC(C)([N-]C(=O)C(F)(F)F)C(=O)Nc1ncccc1[O-] ZINC000277284511 366385969 /nfs/dbraw/zinc/38/59/69/366385969.db2.gz INNHBUOYJIFAKJ-UHFFFAOYSA-N -2 3 291.229 1.183 20 0 CDADHL Cc1nc(C=Cc2cncs2)[n-]c(=O)c1CC(=O)[O-] ZINC000347413457 359391707 /nfs/dbraw/zinc/39/17/07/359391707.db2.gz FEGZCUSTQRXASD-NSCUHMNNSA-N -2 3 277.305 1.745 20 0 CDADHL CCCN(CC(=O)[O-])[C@H](C)C(=O)[N-]c1cc(C)no1 ZINC000184932313 189399062 /nfs/dbraw/zinc/39/90/62/189399062.db2.gz DMJFDTUHYXAWFV-SECBINFHSA-N -2 3 269.301 1.107 20 0 CDADHL O=c1c2c([n-]n1-c1cn[n-]c(=O)c1Cl)CCCC2 ZINC000629942610 364212711 /nfs/dbraw/zinc/21/27/11/364212711.db2.gz DYUWHBUIXBHFKK-LURJTMIESA-N -2 3 266.688 1.728 20 0 CDADHL CC(=O)c1cccc([N-]S(=O)(=O)C2CC2)c1[O-] ZINC000582279723 369984897 /nfs/dbraw/zinc/98/48/97/369984897.db2.gz DYGYEZTWEODROG-UHFFFAOYSA-N -2 3 255.295 1.499 20 0 CDADHL CC[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)OC ZINC000290631054 371281502 /nfs/dbraw/zinc/28/15/02/371281502.db2.gz LGCWDVVVKDXMCN-MRVPVSSYSA-N -2 3 293.366 1.150 20 0 CDADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cnn(C)c2C)c1 ZINC000342786199 374480379 /nfs/dbraw/zinc/48/03/79/374480379.db2.gz ZMDJKKSTHSEOTH-UHFFFAOYSA-N -2 3 297.336 1.244 20 0 CDADHL CC(C)c1nnc([N-]C(=O)c2cnc(C(=O)[O-])cn2)s1 ZINC000647114892 390432045 /nfs/dbraw/zinc/43/20/45/390432045.db2.gz IMNMRXOILDBYEC-UHFFFAOYSA-N -2 3 293.308 1.402 20 0 CDADHL O=C(Nc1nnc(-c2ccccn2)[n-]1)c1c([O-])cccc1F ZINC000132833475 393141754 /nfs/dbraw/zinc/14/17/54/393141754.db2.gz QZVVRNNPQNMHHR-UHFFFAOYSA-N -2 3 299.265 1.964 20 0 CDADHL O=C(Nc1nc(-c2ccccn2)n[n-]1)c1c([O-])cccc1F ZINC000132833475 393141758 /nfs/dbraw/zinc/14/17/58/393141758.db2.gz QZVVRNNPQNMHHR-UHFFFAOYSA-N -2 3 299.265 1.964 20 0 CDADHL O=C(Nc1n[n-]c(-c2ccccn2)n1)c1c([O-])cccc1F ZINC000132833475 393141761 /nfs/dbraw/zinc/14/17/61/393141761.db2.gz QZVVRNNPQNMHHR-UHFFFAOYSA-N -2 3 299.265 1.964 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]CCC2CC2)c1 ZINC000645972670 393441961 /nfs/dbraw/zinc/44/19/61/393441961.db2.gz ZUGBINQRHJYPDU-UHFFFAOYSA-N -2 3 259.283 1.056 20 0 CDADHL Cc1oc(S(=O)(=O)[N-][C@H](C)C(C)(C)C)cc1C(=O)[O-] ZINC000650447295 397991321 /nfs/dbraw/zinc/99/13/21/397991321.db2.gz AXBOPBXMDFEFDM-MRVPVSSYSA-N -2 3 289.353 1.999 20 0 CDADHL Cc1cc([N-]S(=O)(=O)c2ccc([O-])cc2)n(C)n1 ZINC000037296506 173100212 /nfs/dbraw/zinc/10/02/12/173100212.db2.gz LUOMKUPKOUYKSJ-UHFFFAOYSA-N -2 3 267.310 1.235 20 0 CDADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cccs1)C1CCC1 ZINC000663254789 414087434 /nfs/dbraw/zinc/08/74/34/414087434.db2.gz BNFYAMSGXMFCAY-VIFPVBQESA-N -2 3 289.378 1.527 20 0 CDADHL CSc1ccc([O-])c(C(=O)N[C@H](C(=O)[O-])C(C)C)c1 ZINC000659761699 414085878 /nfs/dbraw/zinc/08/58/78/414085878.db2.gz DPMVRUKAOATXGC-NSHDSACASA-N -2 3 283.349 1.953 20 0 CDADHL CSc1ccc([O-])c(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000659767231 414092235 /nfs/dbraw/zinc/09/22/35/414092235.db2.gz YUVRJHLZNAKVKN-LDYMZIIASA-N -2 3 295.360 1.907 20 0 CDADHL CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000663418576 414241052 /nfs/dbraw/zinc/24/10/52/414241052.db2.gz HSCIYBGHTSOEAV-CBAPKCEASA-N -2 3 289.353 1.999 20 0 CDADHL C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000071207416 176081108 /nfs/dbraw/zinc/08/11/08/176081108.db2.gz SJJWCXBXBNHMMV-SFYZADRCSA-N -2 3 273.310 1.445 20 0 CDADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2cccc(F)c2)o1 ZINC000094554744 289060681 /nfs/dbraw/zinc/06/06/81/289060681.db2.gz HQIIFZPZJRPRBE-UHFFFAOYSA-N -2 3 299.279 1.595 20 0 CDADHL COCCN(C)S(=O)(=O)[N-]c1cc(Cl)ccc1[O-] ZINC000557662285 290362289 /nfs/dbraw/zinc/36/22/89/290362289.db2.gz JFPBIFJVWXZKNY-UHFFFAOYSA-N -2 3 294.760 1.281 20 0 CDADHL Cc1cc(=O)[n-]c([C@H](C)N2CC[C@H](C(=O)[O-])[C@H]2C)n1 ZINC000568523257 294053739 /nfs/dbraw/zinc/05/37/39/294053739.db2.gz YISCUACCQJORHB-UTLUCORTSA-N -2 3 265.313 1.347 20 0 CDADHL CCc1cc(=O)[n-]c(CN([C@@H](C)C(=O)[O-])C2CCC2)n1 ZINC000563454917 316314984 /nfs/dbraw/zinc/31/49/84/316314984.db2.gz IODYJZLQVSOPKS-VIFPVBQESA-N -2 3 279.340 1.572 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]C[C@H]2CC2(C)C)cc1C(=O)[O-] ZINC000575985210 317051718 /nfs/dbraw/zinc/05/17/18/317051718.db2.gz AGLIAXMYZXARRI-MRVPVSSYSA-N -2 3 287.337 1.611 20 0 CDADHL Cc1csc(S(=O)(=O)[N-]C[C@H](C)C(=O)[O-])c1 ZINC000583549355 325196230 /nfs/dbraw/zinc/19/62/30/325196230.db2.gz BQQGIZZGDCMBMH-ZETCQYMHSA-N -2 3 263.340 1.056 20 0 CDADHL CCC[C@H](NC(=O)c1cccc(CC)c1[O-])c1nnn[n-]1 ZINC000678315467 483025265 /nfs/dbraw/zinc/02/52/65/483025265.db2.gz DZBGXYPRTFNSSP-NSHDSACASA-N -2 3 289.339 1.739 20 0 CDADHL CCC[C@H](NC(=O)c1cccc(CC)c1[O-])c1nn[n-]n1 ZINC000678315467 483025273 /nfs/dbraw/zinc/02/52/73/483025273.db2.gz DZBGXYPRTFNSSP-NSHDSACASA-N -2 3 289.339 1.739 20 0 CDADHL COCCn1cc([N-]S(=O)(=O)c2ccc([O-])cc2)cn1 ZINC000049548381 522110893 /nfs/dbraw/zinc/11/08/93/522110893.db2.gz KGSTZGCTVKNBLZ-UHFFFAOYSA-N -2 3 297.336 1.036 20 0 CDADHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]C2CCC2)c1 ZINC000052209091 526372672 /nfs/dbraw/zinc/37/26/72/526372672.db2.gz AUMSQZXEEGKUOU-UHFFFAOYSA-N -2 3 273.285 1.355 20 0 CDADHL CCO[N-]C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000298180232 529086835 /nfs/dbraw/zinc/08/68/35/529086835.db2.gz ZTYNEAMOCSKNQY-UHFFFAOYSA-N -2 3 253.302 1.469 20 0 CDADHL Cc1ccc([O-])c(NC(=O)c2ccc(C(=O)[O-])[nH]2)n1 ZINC001600467010 1174485491 /nfs/dbraw/zinc/48/54/91/1174485491.db2.gz JXPFCSDUNIACPR-UHFFFAOYSA-N -2 3 261.237 1.374 20 0 CDADHL C[C@@H](CNc1cccc(Cl)c1-c1nnn[n-]1)C(=O)[O-] ZINC000095227849 1174516273 /nfs/dbraw/zinc/51/62/73/1174516273.db2.gz OCTNVWYIWPUUAN-LURJTMIESA-N -2 3 281.703 1.653 20 0 CDADHL C[C@@H](CNc1cccc(Cl)c1-c1nn[n-]n1)C(=O)[O-] ZINC000095227849 1174516277 /nfs/dbraw/zinc/51/62/77/1174516277.db2.gz OCTNVWYIWPUUAN-LURJTMIESA-N -2 3 281.703 1.653 20 0 CDADHL COc1ccc(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)c([O-])c1 ZINC000737923051 575938996 /nfs/dbraw/zinc/93/89/96/575938996.db2.gz QFCMXOMOVBQPKL-SECBINFHSA-N -2 3 294.307 1.273 20 0 CDADHL Cc1cc(COC(=O)c2cncc([O-])c2)oc1C(=O)[O-] ZINC000738395260 576068276 /nfs/dbraw/zinc/06/82/76/576068276.db2.gz PYIJOMXHAMJWEO-UHFFFAOYSA-N -2 3 277.232 1.744 20 0 CDADHL Cc1cc(=O)[nH]cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000832900078 601602817 /nfs/dbraw/zinc/60/28/17/601602817.db2.gz XSUYWQRXFOOZSK-UHFFFAOYSA-N -2 3 298.276 1.188 20 0 CDADHL C/C=C\C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909048093 628490254 /nfs/dbraw/zinc/49/02/54/628490254.db2.gz LMHTVSYKBRDMMJ-QUCGXOGASA-N -2 3 296.298 1.750 20 0 CDADHL O=C([O-])c1ccc(CCC(=O)[N-]OC2CCC2)cc1 ZINC000911813775 629507145 /nfs/dbraw/zinc/50/71/45/629507145.db2.gz NWXSLKKVJASHOP-UHFFFAOYSA-N -2 3 263.293 1.918 20 0 CDADHL O=C([O-])C12CCC(C(=O)[N-]OCC(F)F)(CC1)CC2 ZINC000911803446 629533337 /nfs/dbraw/zinc/53/33/37/629533337.db2.gz QJTSZSVQMOTFTQ-UHFFFAOYSA-N -2 3 277.267 1.725 20 0 CDADHL O=C(c1ccc([O-])cc1F)N1CCC(c2nnn[n-]2)CC1 ZINC000913744202 630742446 /nfs/dbraw/zinc/74/24/46/630742446.db2.gz DMRYXNQVEBIZTC-UHFFFAOYSA-N -2 3 291.286 1.064 20 0 CDADHL O=C(c1ccc([O-])cc1F)N1CCC(c2nn[n-]n2)CC1 ZINC000913744202 630742447 /nfs/dbraw/zinc/74/24/47/630742447.db2.gz DMRYXNQVEBIZTC-UHFFFAOYSA-N -2 3 291.286 1.064 20 0 CDADHL O=C([O-])C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001606961029 1164038962 /nfs/dbraw/zinc/03/89/62/1164038962.db2.gz ORXXFNPMNWXWAU-VIFPVBQESA-N -2 3 288.311 1.175 20 0 CDADHL O=C([O-])C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001606961029 1164038968 /nfs/dbraw/zinc/03/89/68/1164038968.db2.gz ORXXFNPMNWXWAU-VIFPVBQESA-N -2 3 288.311 1.175 20 0 CDADHL O=C([O-])[C@H](Cc1ccncc1)NC(=O)c1ccccc1[O-] ZINC001608403139 1164508154 /nfs/dbraw/zinc/50/81/54/1164508154.db2.gz ZTWTWZHLUQXQRO-LBPRGKRZSA-N -2 3 286.287 1.213 20 0 CDADHL O=C([O-])c1ccc(CNC(=O)c2c([O-])cccc2O)s1 ZINC001608884197 1164674446 /nfs/dbraw/zinc/67/44/46/1164674446.db2.gz BALVKEKMXUUWJG-UHFFFAOYSA-N -2 3 293.300 1.788 20 0 CDADHL O=C([O-])[C@H]1CCCN1c1ccc(F)cc1-c1nnn[n-]1 ZINC001609572277 1164991492 /nfs/dbraw/zinc/99/14/92/1164991492.db2.gz OOSFYWUOJQJTBS-SNVBAGLBSA-N -2 3 277.259 1.059 20 0 CDADHL O=C([O-])[C@H]1CCCN1c1ccc(F)cc1-c1nn[n-]n1 ZINC001609572277 1164991496 /nfs/dbraw/zinc/99/14/96/1164991496.db2.gz OOSFYWUOJQJTBS-SNVBAGLBSA-N -2 3 277.259 1.059 20 0 CDADHL O=C([O-])c1nccc(N2Cc3nc(C4CC4)[n-]c(=O)c3C2)n1 ZINC001574423430 1170980011 /nfs/dbraw/zinc/98/00/11/1170980011.db2.gz QBJUORGTMYVTKR-UHFFFAOYSA-N -2 3 299.290 1.068 20 0 CDADHL CC(C)[C@H](Nc1c(F)cc(-c2nn[n-]n2)cc1F)C(=O)[O-] ZINC001589766087 1173175273 /nfs/dbraw/zinc/17/52/73/1173175273.db2.gz ZTMVQLIXVZDBDX-VIFPVBQESA-N -2 3 297.265 1.666 20 0 CDADHL C[C@@H](CN(C)c1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001589845957 1173191156 /nfs/dbraw/zinc/19/11/56/1173191156.db2.gz FPRPURXIHVJQMM-ZETCQYMHSA-N -2 3 279.275 1.163 20 0 CDADHL C[C@@H](CN(C)c1ccc(F)cc1-c1nn[n-]n1)C(=O)[O-] ZINC001589845957 1173191158 /nfs/dbraw/zinc/19/11/58/1173191158.db2.gz FPRPURXIHVJQMM-ZETCQYMHSA-N -2 3 279.275 1.163 20 0 CDADHL Cc1nc(C)c(CC(=O)OC2CC(CC(=O)[O-])C2)c(=O)[n-]1 ZINC001600691756 1174566906 /nfs/dbraw/zinc/56/69/06/1174566906.db2.gz MWSLOVWKKDYJLP-UHFFFAOYSA-N -2 3 294.307 1.138 20 0 CDADHL C[C@H]1CCc2c(=O)n(Cc3ccc(-c4nn[n-]n4)cc3)[n-]c21 ZINC001603880597 1175667719 /nfs/dbraw/zinc/66/77/19/1175667719.db2.gz GKGBYCAYWPNQOC-CABZTGNLSA-N -2 3 296.334 1.611 20 0 CDADHL COC(=O)c1cc(C(=O)OC2CC(CC(=O)[O-])C2)c[n-]1 ZINC001606537584 1163927107 /nfs/dbraw/zinc/92/71/07/1163927107.db2.gz OVUSMHITCVTQIP-UHFFFAOYSA-N -2 3 281.264 1.211 20 0 CDADHL Cc1cc(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)ns1 ZINC001607585042 1164231787 /nfs/dbraw/zinc/23/17/87/1164231787.db2.gz RYUVKMKPEQVJKR-UHFFFAOYSA-N -2 3 298.349 1.573 20 0 CDADHL O=C([O-])c1ccn(CCCC(=O)[N-]OCC2CCC2)n1 ZINC001608307177 1164487791 /nfs/dbraw/zinc/48/77/91/1164487791.db2.gz PHSDUWIBKUYVSU-UHFFFAOYSA-N -2 3 281.312 1.209 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)Cc1ccc2c(c1)CCCO2 ZINC001608716440 1164619537 /nfs/dbraw/zinc/61/95/37/1164619537.db2.gz MVXOQGYNEYJYID-UHFFFAOYSA-N -2 3 293.319 1.467 20 0 CDADHL C[C@H](CC(=O)[O-])CC(=O)[N-]OCCC(F)(F)F ZINC000314663144 730428444 /nfs/dbraw/zinc/42/84/44/730428444.db2.gz AXSYTECZUNGLCX-LURJTMIESA-N -2 3 257.208 1.488 20 0 CDADHL O=C([O-])CNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000833252597 730729855 /nfs/dbraw/zinc/72/98/55/730729855.db2.gz RAXQUTDDFMDXTE-UHFFFAOYSA-N -2 3 287.271 1.999 20 0 CDADHL C[C@]1(C(=O)[O-])CCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000235772655 731157153 /nfs/dbraw/zinc/15/71/53/731157153.db2.gz LABHIQYXTILUJS-ZDUSSCGKSA-N -2 3 283.711 1.982 20 0 CDADHL Cc1nc(C(C)C)[n-]c(=O)c1C(=O)[N-]OC1CCOCC1 ZINC000775245604 731224692 /nfs/dbraw/zinc/22/46/92/731224692.db2.gz SMOSSCQIQYVLPA-UHFFFAOYSA-N -2 3 295.339 1.454 20 0 CDADHL C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871994549 731364901 /nfs/dbraw/zinc/36/49/01/731364901.db2.gz XLEHAEXBNIVFOL-VXNVDRBHSA-N -2 3 273.310 1.445 20 0 CDADHL O=C([O-])c1coc(NCc2nc(C(F)(F)F)n[n-]2)n1 ZINC000844212756 731804792 /nfs/dbraw/zinc/80/47/92/731804792.db2.gz ABSPQVPKGUGJCT-UHFFFAOYSA-N -2 3 277.162 1.122 20 0 CDADHL Cc1cnc(Cl)c(S(=O)(=O)[N-][C@@H](C)CC(=O)[O-])c1 ZINC000887327881 732072531 /nfs/dbraw/zinc/07/25/31/732072531.db2.gz BCJPSKXJDKOPMI-ZETCQYMHSA-N -2 3 292.744 1.185 20 0 CDADHL COc1ccc(C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)c([O-])c1 ZINC000263359807 732341789 /nfs/dbraw/zinc/34/17/89/732341789.db2.gz RRXZGZPSDIWOIR-ZJUUUORDSA-N -2 3 293.319 1.584 20 0 CDADHL CC[C@@](C)(NC(=O)c1cc(NC(C)=O)ccc1[O-])C(=O)[O-] ZINC001609896039 1165135064 /nfs/dbraw/zinc/13/50/64/1165135064.db2.gz FWYHKBUJKUSDRQ-CQSZACIVSA-N -2 3 294.307 1.334 20 0 CDADHL Cc1cc([O-])c(Cl)cc1OC(=O)[C@@H](O)CC(=O)[O-] ZINC001233590831 912897452 /nfs/dbraw/zinc/89/74/52/912897452.db2.gz ARJUESQKNPKPAO-QMMMGPOBSA-N -2 3 274.656 1.095 20 0 CDADHL CC1(C)C(C(=O)NCCCCP(=O)([O-])[O-])C1(C)C ZINC001179696973 915933344 /nfs/dbraw/zinc/93/33/44/915933344.db2.gz LJCDPECXXGUVTF-UHFFFAOYSA-N -2 3 277.301 1.743 20 0 CDADHL Cc1c[nH]cc1C(=O)NCCCCP(=O)([O-])[O-] ZINC001187806906 920663784 /nfs/dbraw/zinc/66/37/84/920663784.db2.gz YVCOMXMGALVVFF-UHFFFAOYSA-N -2 3 260.230 1.011 20 0 CDADHL CCOCC(COCC)OCCCCP(=O)([O-])[O-] ZINC001225021471 941815372 /nfs/dbraw/zinc/81/53/72/941815372.db2.gz HTOORJYGFOJVEZ-UHFFFAOYSA-N -2 3 284.289 1.403 20 0 CDADHL Cc1ccc(C(=O)NC2C(=O)N=CN=C2[O-])c([O-])c1 ZINC001148492846 932724083 /nfs/dbraw/zinc/72/40/83/932724083.db2.gz WDQDJOAZOOWDMI-UHFFFAOYSA-N -2 3 261.237 1.154 20 0 CDADHL COc1ccc([C@H](C)OCCP(=O)([O-])[O-])cc1 ZINC001224604586 941773938 /nfs/dbraw/zinc/77/39/38/941773938.db2.gz DWZZCEPUMCYRQH-VIFPVBQESA-N -2 3 260.226 1.951 20 0 CDADHL O=c1nc(O[C@@H]2CCCN(c3ccccc3)C2)[n-]c(=O)[n-]1 ZINC001227569981 942190909 /nfs/dbraw/zinc/19/09/09/942190909.db2.gz HSPMAPCOMXTBGD-LLVKDONJSA-N -2 3 288.307 1.331 20 0 CDADHL C[C@H]1C[C@H](Oc2[n-]c(=O)nc3cn[n-]c32)C[C@@H](C)C1 ZINC001233939206 943694620 /nfs/dbraw/zinc/69/46/20/943694620.db2.gz IHVFVYJPIMKFCO-BRPSZJMVSA-N -2 3 262.313 1.850 20 0 CDADHL O=c1nc2cn[n-]c2c(O[C@@H](c2cccnc2)C2CC2)[n-]1 ZINC001233938138 943695019 /nfs/dbraw/zinc/69/50/19/943695019.db2.gz AQCKELXNISIEHA-GFCCVEGCSA-N -2 3 283.291 1.571 20 0 CDADHL C[C@@H](Cc1ccccc1)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233939952 943696881 /nfs/dbraw/zinc/69/68/81/943696881.db2.gz RMHDYRUGXKRHMF-VIFPVBQESA-N -2 3 270.292 1.656 20 0 CDADHL O=S(=O)([N-]c1ncc([O-])cc1Cl)C(F)F ZINC001259951782 945740627 /nfs/dbraw/zinc/74/06/27/945740627.db2.gz JEURYMKJMPNFOO-UHFFFAOYSA-N -2 3 258.633 1.405 20 0 CDADHL O=C([O-])c1cc(C(=O)[O-])cc(-c2ncc3c(n2)CCNC3)c1 ZINC001242159581 946611085 /nfs/dbraw/zinc/61/10/85/946611085.db2.gz NAKSTCPBJSJHEE-UHFFFAOYSA-N -2 3 299.286 1.186 20 0 CDADHL CCN(C(=O)c1cc(NC(C)=O)ccc1[O-])[C@H](C)C(=O)[O-] ZINC001589706388 950294335 /nfs/dbraw/zinc/29/43/35/950294335.db2.gz SQQWAZPRUYZYCZ-MRVPVSSYSA-N -2 3 294.307 1.286 20 0 CDADHL COc1ccc(S(=O)(=O)[N-]c2cncc([O-])c2)cc1 ZINC001251887280 950914329 /nfs/dbraw/zinc/91/43/29/950914329.db2.gz WSQSCBMIZXKUNJ-UHFFFAOYSA-N -2 3 280.305 1.597 20 0 CDADHL CCOc1cccc(F)c1CN[C@@H](CC(=O)[O-])C(=O)[O-] ZINC001592993845 951385375 /nfs/dbraw/zinc/38/53/75/951385375.db2.gz VEICJAZFUZNZIC-JTQLQIEISA-N -2 3 285.271 1.242 20 0 CDADHL Cc1ccc([O-])c(NC(=O)c2ccc(C(=O)[O-])nc2)n1 ZINC001594374532 958577149 /nfs/dbraw/zinc/57/71/49/958577149.db2.gz PTKGRZAPSHVVJX-UHFFFAOYSA-N -2 3 273.248 1.441 20 0 CDADHL CC(C)C[C@H](CNC(=O)c1cc(=O)[n-]cn1)CC(=O)[O-] ZINC001573536477 959169756 /nfs/dbraw/zinc/16/97/56/959169756.db2.gz DDNHARQEVBCYCO-VIFPVBQESA-N -2 3 281.312 1.049 20 0 CDADHL O=C(NC1(c2nn[n-]n2)CCC1)c1ccc(Cl)c([O-])c1 ZINC001455352827 968688710 /nfs/dbraw/zinc/68/87/10/968688710.db2.gz XMMLHBMZHRRIDE-UHFFFAOYSA-N -2 3 293.714 1.368 20 0 CDADHL C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000694195515 976680422 /nfs/dbraw/zinc/68/04/22/976680422.db2.gz FTMGNVKHACGGBP-RKDXNWHRSA-N -2 3 287.337 1.692 20 0 CDADHL COC(C)(C)[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000720050168 978023619 /nfs/dbraw/zinc/02/36/19/978023619.db2.gz NAZLZRVLIOGVNF-SSDOTTSWSA-N -2 3 291.325 1.070 20 0 CDADHL COc1cccc2c(C(=O)OC/C=C(/C)C(=O)[O-])n[n-]c21 ZINC001599689461 991044417 /nfs/dbraw/zinc/04/44/17/991044417.db2.gz NBWWLSFQVXVSRF-VURMDHGXSA-N -2 3 290.275 1.759 20 0 CDADHL C[C@@H]1CCN(Cc2cc(C(=O)[O-])co2)C[C@H]1C(=O)[O-] ZINC001594423372 999580004 /nfs/dbraw/zinc/58/00/04/999580004.db2.gz UYJKYMPJJNBIML-LDYMZIIASA-N -2 3 267.281 1.520 20 0 CDADHL Cc1ccccc1[C@@H]1C[C@H]1C(=O)N=c1ccc([O-])n[n-]1 ZINC000622846151 342261330 /nfs/dbraw/zinc/26/13/30/342261330.db2.gz AGEOOTKZTQQQQQ-NWDGAFQWSA-N -2 3 269.304 1.655 20 0 CDADHL Cc1c(S(=O)(=O)[N-]c2cccc([O-])c2F)cnn1C ZINC000569651088 362098514 /nfs/dbraw/zinc/09/85/14/362098514.db2.gz UWEAREIEKRKRRU-UHFFFAOYSA-N -2 3 285.300 1.374 20 0 CDADHL COc1ccc(C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)c([O-])c1 ZINC000566235788 370654917 /nfs/dbraw/zinc/65/49/17/370654917.db2.gz SXCMNCJUDYMZHN-BXKDBHETSA-N -2 3 293.319 1.584 20 0 CDADHL CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000088298410 349263633 /nfs/dbraw/zinc/26/36/33/349263633.db2.gz ZEVFHHNYAUXVFN-SFYZADRCSA-N -2 3 289.357 1.211 20 0 CDADHL CCC[C@H](NC(=O)c1cc(OC)ccc1[O-])c1nnn[n-]1 ZINC000092424795 180383058 /nfs/dbraw/zinc/38/30/58/180383058.db2.gz MVEGIEMTKLYHID-JTQLQIEISA-N -2 3 291.311 1.185 20 0 CDADHL CCC[C@H](NC(=O)c1cc(OC)ccc1[O-])c1nn[n-]n1 ZINC000092424795 180383060 /nfs/dbraw/zinc/38/30/60/180383060.db2.gz MVEGIEMTKLYHID-JTQLQIEISA-N -2 3 291.311 1.185 20 0 CDADHL Cn1[n-]c(C(=O)Nc2ccc([O-])cc2F)cc1=O ZINC000622494862 351194141 /nfs/dbraw/zinc/19/41/41/351194141.db2.gz JBBDZYGUXHKTHG-UHFFFAOYSA-N -2 3 251.217 1.223 20 0 CDADHL O=C(Nc1ncccc1[O-])c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000622504900 351198216 /nfs/dbraw/zinc/19/82/16/351198216.db2.gz FCTBOMXGZKUTEE-UHFFFAOYSA-N -2 3 298.258 1.383 20 0 CDADHL CCC[C@@H](NC(=O)c1ccc(C)c(C)c1[O-])c1nnn[n-]1 ZINC000271448444 191144605 /nfs/dbraw/zinc/14/46/05/191144605.db2.gz WUIQGTFYJFAXDN-LLVKDONJSA-N -2 3 289.339 1.793 20 0 CDADHL CCC[C@@H](NC(=O)c1ccc(C)c(C)c1[O-])c1nn[n-]n1 ZINC000271448444 191144608 /nfs/dbraw/zinc/14/46/08/191144608.db2.gz WUIQGTFYJFAXDN-LLVKDONJSA-N -2 3 289.339 1.793 20 0 CDADHL O=c1cc(C2CC2)[n-]n1-c1cn[n-]c(=O)c1Cl ZINC000634587398 356468376 /nfs/dbraw/zinc/46/83/76/356468376.db2.gz NGVACOOCRMNUSP-UHFFFAOYSA-N -2 3 252.661 1.338 20 0 CDADHL Cc1cccc([N-]S(=O)(=O)CCOCC2CC2)c1[O-] ZINC000643623465 356974349 /nfs/dbraw/zinc/97/43/49/356974349.db2.gz BXMUIMJUKYGXEF-UHFFFAOYSA-N -2 3 285.365 1.869 20 0 CDADHL O=C(N=c1ccc([O-])n[n-]1)c1ccnn1-c1ccccc1 ZINC000348487479 360095573 /nfs/dbraw/zinc/09/55/73/360095573.db2.gz ZCLZQEZVOLUOMX-UHFFFAOYSA-N -2 3 281.275 1.042 20 0 CDADHL Cc1ncc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C(C)C)s1 ZINC000230099214 360240976 /nfs/dbraw/zinc/24/09/76/360240976.db2.gz FDOSHJXRZYWVRP-MRVPVSSYSA-N -2 3 292.382 1.087 20 0 CDADHL Cc1csc(S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-])c1 ZINC000514916842 360401517 /nfs/dbraw/zinc/40/15/17/360401517.db2.gz AKTZUTQXRUTXNQ-LURJTMIESA-N -2 3 299.320 1.443 20 0 CDADHL Cn1[n-]c(=NC(=O)c2ccccc2[O-])cc1OC(F)F ZINC000436737889 361568707 /nfs/dbraw/zinc/56/87/07/361568707.db2.gz KGYYMCGNGULSEP-UHFFFAOYSA-N -2 3 283.234 1.401 20 0 CDADHL Cc1cc([O-])c(C(C)C)cc1C(=O)N=c1ncn(C)[n-]1 ZINC000436862948 361593654 /nfs/dbraw/zinc/59/36/54/361593654.db2.gz GWQJULLZTXROJL-UHFFFAOYSA-N -2 3 274.324 1.627 20 0 CDADHL Cc1ccc(C(=O)NCc2ncccc2[O-])c([O-])c1 ZINC000436999091 361635557 /nfs/dbraw/zinc/63/55/57/361635557.db2.gz ITBVGCMUGSIRJT-UHFFFAOYSA-N -2 3 258.277 1.731 20 0 CDADHL Cc1cccc(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])c1F ZINC000275342976 193006053 /nfs/dbraw/zinc/00/60/53/193006053.db2.gz VKEQTKCITOOLLE-UHFFFAOYSA-N -2 3 289.328 1.523 20 0 CDADHL Cc1nc(C[N-]S(=O)(=O)c2ccco2)ccc1C(=O)[O-] ZINC000567097150 370878878 /nfs/dbraw/zinc/87/88/78/370878878.db2.gz BDWHQBKTHXVNST-UHFFFAOYSA-N -2 3 296.304 1.160 20 0 CDADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)CC(=O)[O-])cc1F ZINC000340450796 370919959 /nfs/dbraw/zinc/91/99/59/370919959.db2.gz HTNFTFGELSYVPW-ZETCQYMHSA-N -2 3 293.291 1.415 20 0 CDADHL O=C([O-])[C@@H](CC(F)F)[N-]S(=O)(=O)c1ccccc1F ZINC000275175925 371201075 /nfs/dbraw/zinc/20/10/75/371201075.db2.gz CRBKVJNUENFFHQ-SSDOTTSWSA-N -2 3 297.254 1.212 20 0 CDADHL CC(C)O[N-]C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000295709202 371415460 /nfs/dbraw/zinc/41/54/60/371415460.db2.gz PEQJPVAJXNFSBV-UHFFFAOYSA-N -2 3 252.299 1.088 20 0 CDADHL CC(C)=CC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000191633078 130266361 /nfs/dbraw/zinc/26/63/61/130266361.db2.gz PRGNFWNRRJJMNJ-UHFFFAOYSA-N -2 3 287.312 1.768 20 0 CDADHL COc1ccsc1S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C ZINC000261682231 397608752 /nfs/dbraw/zinc/60/87/52/397608752.db2.gz LUJFLBCYCNKDKU-MRVPVSSYSA-N -2 3 293.366 1.144 20 0 CDADHL O=C([O-])CCCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000070198370 397896145 /nfs/dbraw/zinc/89/61/45/397896145.db2.gz VYHKRWWAVIPINO-UHFFFAOYSA-N -2 3 293.291 1.498 20 0 CDADHL O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1[O-] ZINC000095237133 147111588 /nfs/dbraw/zinc/11/15/88/147111588.db2.gz IKIJFQDRTVDTRF-UHFFFAOYSA-N -2 3 281.275 1.825 20 0 CDADHL Cc1noc(C(C)(C)[N-]S(=O)(=O)c2ccccc2[O-])n1 ZINC000656984570 413829238 /nfs/dbraw/zinc/82/92/38/413829238.db2.gz MLLUOUSUHIHODP-UHFFFAOYSA-N -2 3 297.336 1.297 20 0 CDADHL O=C([O-])C1(C(=O)N2CCc3n[n-]nc3C2)CCCCCC1 ZINC000663045790 413861410 /nfs/dbraw/zinc/86/14/10/413861410.db2.gz ZBWXRBSQOOPVST-UHFFFAOYSA-N -2 3 292.339 1.115 20 0 CDADHL Cc1ccc(C(=O)NC2(C(=O)[O-])CCCC2)c([O-])c1 ZINC000037329736 173131335 /nfs/dbraw/zinc/13/13/35/173131335.db2.gz DOXPYINBAHXCGR-UHFFFAOYSA-N -2 3 263.293 1.828 20 0 CDADHL CC(C)(C)C[C@@H](NC(=O)c1ccc2n[n-]nc2c1)C(=O)[O-] ZINC000401324879 424451972 /nfs/dbraw/zinc/45/19/72/424451972.db2.gz AYUVCWLBRBOXNZ-LLVKDONJSA-N -2 3 290.323 1.577 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CC[C@@H](C(=O)[O-])[C@H](C)C2)n1 ZINC000652496290 424493786 /nfs/dbraw/zinc/49/37/86/424493786.db2.gz QXMOJWVRPWXWMT-MWLCHTKSSA-N -2 3 279.340 1.287 20 0 CDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccoc1)c1ccsc1 ZINC000551996374 290038404 /nfs/dbraw/zinc/03/84/04/290038404.db2.gz IXYMWUHLLHUYEM-SECBINFHSA-N -2 3 287.318 1.445 20 0 CDADHL O=C([O-])[C@H]1CCCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000563277113 293330849 /nfs/dbraw/zinc/33/08/49/293330849.db2.gz CZKFNMJNXMDRBM-SNVBAGLBSA-N -2 3 263.297 1.109 20 0 CDADHL O=C([O-])CN(C(=O)c1ccccc1[O-])C1CCOCC1 ZINC000570331863 294217633 /nfs/dbraw/zinc/21/76/33/294217633.db2.gz BHOKJADKKGYHSW-UHFFFAOYSA-N -2 3 279.292 1.098 20 0 CDADHL CC/C=C/C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000385076921 323699829 /nfs/dbraw/zinc/69/98/29/323699829.db2.gz WFKJFYFYRLTUEO-ONEGZZNKSA-N -2 3 275.351 1.691 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]CC(C2CC2)C2CC2)c1 ZINC000582298779 324948836 /nfs/dbraw/zinc/94/88/36/324948836.db2.gz CNDYOYKHQCEKMH-UHFFFAOYSA-N -2 3 299.348 1.692 20 0 CDADHL C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)c1ccc2n[n-]nc2c1 ZINC000164606975 482507480 /nfs/dbraw/zinc/50/74/80/482507480.db2.gz KYBWGUYMXHPDHZ-SMDDNHRTSA-N -2 3 288.307 1.331 20 0 CDADHL Cc1[n-]ncc1S(=O)(=O)Oc1ccccc1CC(=O)[O-] ZINC000738249517 576053538 /nfs/dbraw/zinc/05/35/38/576053538.db2.gz VDRWHKDIXBOQRC-UHFFFAOYSA-N -2 3 296.304 1.113 20 0 CDADHL Cc1cc(C(=O)[O-])c2c(=O)[n-]c(SCCCO)nc2n1 ZINC000738343680 576060818 /nfs/dbraw/zinc/06/08/18/576060818.db2.gz UIZBRHSCXWCNJZ-UHFFFAOYSA-N -2 3 295.320 1.212 20 0 CDADHL O=C([O-])Cc1nc([N-]C(=O)c2cc3occc3s2)n[nH]1 ZINC000739909413 576396853 /nfs/dbraw/zinc/39/68/53/576396853.db2.gz IWWGGLNCGOLMJQ-UHFFFAOYSA-N -2 3 292.276 1.492 20 0 CDADHL O=C([O-])CCN(CC(=O)[O-])Cc1ccc(F)cc1Cl ZINC001602005233 1175107822 /nfs/dbraw/zinc/10/78/22/1175107822.db2.gz XZRSXONJLDOWHS-UHFFFAOYSA-N -2 3 289.690 1.840 20 0 CDADHL COc1cc(C(=O)N(CC(=O)[O-])C(C)C)cc(OC)c1[O-] ZINC000820754683 598077640 /nfs/dbraw/zinc/07/76/40/598077640.db2.gz IQOYCRTZYFSQMR-UHFFFAOYSA-N -2 3 297.307 1.345 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCSC2)o1 ZINC000136335585 601218101 /nfs/dbraw/zinc/21/81/01/601218101.db2.gz UMMZHCGGOYMYEA-ZETCQYMHSA-N -2 3 291.350 1.152 20 0 CDADHL COCCCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000710698137 605199180 /nfs/dbraw/zinc/19/91/80/605199180.db2.gz VIBGLUUHFLYMLF-UHFFFAOYSA-N -2 3 291.325 1.073 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@H]2CC[C@@H](C)C2)oc1C(=O)[O-] ZINC000903026139 625803397 /nfs/dbraw/zinc/80/33/97/625803397.db2.gz MQCYHWNCCXFLDC-APPZFPTMSA-N -2 3 287.337 1.753 20 0 CDADHL O=C([O-])CCCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000908621543 628311500 /nfs/dbraw/zinc/31/15/00/628311500.db2.gz LQUWFLBFSZWHDV-UHFFFAOYSA-N -2 3 283.299 1.835 20 0 CDADHL CN(CCC(=O)[O-])C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000909168283 628557411 /nfs/dbraw/zinc/55/74/11/628557411.db2.gz QIXOXRARTDEMMF-UHFFFAOYSA-N -2 3 291.225 1.958 20 0 CDADHL C[C@H]1CCN(C(=O)Cc2ccc([O-])c(F)c2)[C@H](C(=O)[O-])C1 ZINC000909779718 628672767 /nfs/dbraw/zinc/67/27/67/628672767.db2.gz KUGAJSPYIJBDFJ-CABZTGNLSA-N -2 3 295.310 1.786 20 0 CDADHL COCCO[N-]C(=O)CCc1ccccc1C(=O)[O-] ZINC000911810372 629542461 /nfs/dbraw/zinc/54/24/61/629542461.db2.gz YKFONKDGPYJKDS-UHFFFAOYSA-N -2 3 267.281 1.012 20 0 CDADHL Cc1nc(N[C@H](C)CC(=O)[O-])c(Cl)cc1-c1nnn[n-]1 ZINC001606059043 1163759151 /nfs/dbraw/zinc/75/91/51/1163759151.db2.gz CSVPASIRUXYRKB-RXMQYKEDSA-N -2 3 296.718 1.499 20 0 CDADHL Cc1nc(N[C@H](C)CC(=O)[O-])c(Cl)cc1-c1nn[n-]n1 ZINC001606059043 1163759157 /nfs/dbraw/zinc/75/91/57/1163759157.db2.gz CSVPASIRUXYRKB-RXMQYKEDSA-N -2 3 296.718 1.499 20 0 CDADHL Cc1nc(NC[C@H](C)CC(=O)[O-])ccc1-c1nn[n-]n1 ZINC001606068421 1163763232 /nfs/dbraw/zinc/76/32/32/1163763232.db2.gz WYZSCQCPCSLMNL-SSDOTTSWSA-N -2 3 276.300 1.093 20 0 CDADHL Cc1cccc([O-])c1C(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001607858840 1164314037 /nfs/dbraw/zinc/31/40/37/1164314037.db2.gz ZGFHGWHXBOWGOG-SNVBAGLBSA-N -2 3 295.360 1.590 20 0 CDADHL O=C([O-])c1ccc2c(c1)CCN2C(=O)c1cc(=O)[n-]cn1 ZINC001608921305 1164684404 /nfs/dbraw/zinc/68/44/04/1164684404.db2.gz CIWCXHIUNZRKAO-UHFFFAOYSA-N -2 3 285.259 1.083 20 0 CDADHL CCc1oc(CNCc2ncccc2[O-])cc1C(=O)[O-] ZINC001610081403 1165210171 /nfs/dbraw/zinc/21/01/71/1165210171.db2.gz OBNZMYWCCBCTJX-UHFFFAOYSA-N -2 3 276.292 1.931 20 0 CDADHL O=C([O-])CSc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000095141865 1174496583 /nfs/dbraw/zinc/49/65/83/1174496583.db2.gz IREQKTGYYIMLMG-UHFFFAOYSA-N -2 3 270.701 1.697 20 0 CDADHL O=C([O-])CSc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000095141865 1174496588 /nfs/dbraw/zinc/49/65/88/1174496588.db2.gz IREQKTGYYIMLMG-UHFFFAOYSA-N -2 3 270.701 1.697 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]C2CC(C)(C)C2)cc1C(=O)[O-] ZINC001600857623 1174644965 /nfs/dbraw/zinc/64/49/65/1174644965.db2.gz JRYWUQQFDMNCBQ-UHFFFAOYSA-N -2 3 287.337 1.753 20 0 CDADHL Cn1ncc2c1nc(SCC(C)(C)C(=O)[O-])[n-]c2=O ZINC001601029676 1174708495 /nfs/dbraw/zinc/70/84/95/1174708495.db2.gz KTGBBWLQSCDTGC-UHFFFAOYSA-N -2 3 282.325 1.272 20 0 CDADHL O=C([O-])C1(NC(=O)c2cccc3n[n-]nc32)CCCCC1 ZINC001601430347 1174869237 /nfs/dbraw/zinc/86/92/37/1174869237.db2.gz UUQZZYNESUYGIY-UHFFFAOYSA-N -2 3 288.307 1.475 20 0 CDADHL COC(=O)c1[n-]cnc1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001606635370 1163943295 /nfs/dbraw/zinc/94/32/95/1163943295.db2.gz BKBNYEPPAYKDEI-YUMQZZPRSA-N -2 3 295.295 1.026 20 0 CDADHL COC(=O)c1nc[n-]c1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC001606635370 1163943301 /nfs/dbraw/zinc/94/33/01/1163943301.db2.gz BKBNYEPPAYKDEI-YUMQZZPRSA-N -2 3 295.295 1.026 20 0 CDADHL CC(C)C[C@H](CNC(=O)c1ccc(N)cc1[O-])C(=O)[O-] ZINC000849365989 735174772 /nfs/dbraw/zinc/17/47/72/735174772.db2.gz JBDQUNNQEXHXTP-SECBINFHSA-N -2 3 280.324 1.451 20 0 CDADHL O=C(Cc1nnn[n-]1)Nc1cccc(C(F)(F)F)c1[O-] ZINC001176845539 914345043 /nfs/dbraw/zinc/34/50/43/914345043.db2.gz VFYCMVUEFYNOIC-UHFFFAOYSA-N -2 3 287.201 1.105 20 0 CDADHL O=C(Cc1nn[n-]n1)Nc1cccc(C(F)(F)F)c1[O-] ZINC001176845539 914345062 /nfs/dbraw/zinc/34/50/62/914345062.db2.gz VFYCMVUEFYNOIC-UHFFFAOYSA-N -2 3 287.201 1.105 20 0 CDADHL [CH2]CC[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC001188088271 920825599 /nfs/dbraw/zinc/82/55/99/920825599.db2.gz BNXTXDVSQAALEZ-UHFFFAOYSA-N -2 3 268.145 1.891 20 0 CDADHL O=C([N-]c1noc2nccnc12)c1cc(F)c([O-])cc1F ZINC001192852934 923297768 /nfs/dbraw/zinc/29/77/68/923297768.db2.gz OTTNDDHZYNCUNJ-UHFFFAOYSA-N -2 3 292.201 1.854 20 0 CDADHL Cn1ccnc1S(=O)(=O)[N-]c1cc([O-])cc(Cl)c1 ZINC001193597857 923829291 /nfs/dbraw/zinc/82/92/91/923829291.db2.gz JVPJPJFVWLNVNH-UHFFFAOYSA-N -2 3 287.728 1.580 20 0 CDADHL Cc1cc(O)cc([O-])c1C(=O)N=c1[n-]cnn2cccc12 ZINC001193922973 923987180 /nfs/dbraw/zinc/98/71/80/923987180.db2.gz SNHRPVJKBZUVQJ-UHFFFAOYSA-N -2 3 284.275 1.123 20 0 CDADHL Cc1cccc(NC(=S)NCCP(=O)([O-])[O-])c1C ZINC001196435368 924897958 /nfs/dbraw/zinc/89/79/58/924897958.db2.gz XTFKQLDFVHYILQ-UHFFFAOYSA-N -2 3 288.309 1.768 20 0 CDADHL O=C(CCC(F)(F)F)NCCCCP(=O)([O-])[O-] ZINC001143146364 937125020 /nfs/dbraw/zinc/12/50/20/937125020.db2.gz MLYVVBSFZDSQNX-UHFFFAOYSA-N -2 3 277.179 1.403 20 0 CDADHL Cc1ccsc1C(=O)NCCCCP(=O)([O-])[O-] ZINC001147115492 932417896 /nfs/dbraw/zinc/41/78/96/932417896.db2.gz NRTKLARYJRMKEB-UHFFFAOYSA-N -2 3 277.282 1.744 20 0 CDADHL C=CC(=O)OC[C@@H](C)OCCCCP(=O)([O-])[O-] ZINC001225018726 941814438 /nfs/dbraw/zinc/81/44/38/941814438.db2.gz GNXYAGZTLYMWNI-SECBINFHSA-N -2 3 266.230 1.079 20 0 CDADHL [S-]c1[n-]c(O[C@@H]2COc3cnccc32)nc2ncnc1-2 ZINC001226783112 942069554 /nfs/dbraw/zinc/06/95/54/942069554.db2.gz VMNGFFZOWNOFFY-MRVPVSSYSA-N -2 3 287.304 1.549 20 0 CDADHL O=c1nc(O[C@@H]2CCc3ccccc3C2)[n-]c(=O)[n-]1 ZINC001227569473 942190743 /nfs/dbraw/zinc/19/07/43/942190743.db2.gz BLYIBNCEENIPMW-SNVBAGLBSA-N -2 3 259.265 1.219 20 0 CDADHL CC(C)Oc1[n-]c(=O)nc2nc(Br)[n-]c21 ZINC001227595207 942192871 /nfs/dbraw/zinc/19/28/71/942192871.db2.gz WMUAHZNHIIVGHP-UHFFFAOYSA-N -2 3 273.090 1.608 20 0 CDADHL CC1(C)[C@@H]2C[C@@H](Oc3[n-]c(=O)nc4cn[n-]c43)C[C@@H]21 ZINC001233938140 943695813 /nfs/dbraw/zinc/69/58/13/943695813.db2.gz ASHKHPWTBBMKDO-WHUPJOBBSA-N -2 3 260.297 1.460 20 0 CDADHL Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(F)c([O-])c1 ZINC001258637633 945380646 /nfs/dbraw/zinc/38/06/46/945380646.db2.gz RRIPLBQTLCBBJO-UHFFFAOYSA-N -2 3 286.284 1.937 20 0 CDADHL O=C([O-])c1cc(-c2ccc(Cc3nnn[n-]3)cc2)cnc1F ZINC001244755753 947455814 /nfs/dbraw/zinc/45/58/14/947455814.db2.gz LDIAPTGAWSRXBQ-UHFFFAOYSA-N -2 3 299.265 1.690 20 0 CDADHL O=C([O-])c1cc(-c2ccc(Cc3nn[n-]n3)cc2)cnc1F ZINC001244755753 947455819 /nfs/dbraw/zinc/45/58/19/947455819.db2.gz LDIAPTGAWSRXBQ-UHFFFAOYSA-N -2 3 299.265 1.690 20 0 CDADHL O=S(=O)([N-]c1cncc([O-])c1)c1cccc(F)c1 ZINC001255575144 947999393 /nfs/dbraw/zinc/99/93/93/947999393.db2.gz MGJXINJRRMKGNO-UHFFFAOYSA-N -2 3 268.269 1.727 20 0 CDADHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1c(F)cccc1Cl ZINC001363155103 971930550 /nfs/dbraw/zinc/93/05/50/971930550.db2.gz XNQAPFJGDPEOAZ-UHFFFAOYSA-N -2 3 297.673 1.610 20 0 CDADHL COc1ccc(C(=O)N[C@H]2CCCC[C@H]2C(=O)[O-])c([O-])c1 ZINC000070524498 957684147 /nfs/dbraw/zinc/68/41/47/957684147.db2.gz ZUFRRVNTPGRRII-PWSUYJOCSA-N -2 3 293.319 1.774 20 0 CDADHL C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000230401284 960148702 /nfs/dbraw/zinc/14/87/02/960148702.db2.gz UGSNMMLTBKSUOW-RKDXNWHRSA-N -2 3 287.337 1.692 20 0 CDADHL O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1ccccc1[O-] ZINC000299943462 962948469 /nfs/dbraw/zinc/94/84/69/962948469.db2.gz MAUOQHDMZOWMOR-CWSCBRNRSA-N -2 3 275.304 1.718 20 0 CDADHL O=C([O-])C1CCN(Cc2ccc([O-])c(F)c2F)CC1 ZINC001570996413 963181267 /nfs/dbraw/zinc/18/12/67/963181267.db2.gz BIUWBICUTYXRAT-UHFFFAOYSA-N -2 3 271.263 1.967 20 0 CDADHL CC(C)(CC(=O)[O-])NC(=O)c1cc(F)cc2n[n-]nc21 ZINC001571014052 963309168 /nfs/dbraw/zinc/30/91/68/963309168.db2.gz ZURBKYHGSGABGO-UHFFFAOYSA-N -2 3 280.259 1.080 20 0 CDADHL Cc1n[n-]cc1C(=O)O[C@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001599969142 985973011 /nfs/dbraw/zinc/97/30/11/985973011.db2.gz KCNQCCCDZMZCIV-GFCCVEGCSA-N -2 3 292.266 1.710 20 0 CDADHL CCc1ccc(C(=O)N[C@H](CCOC)C(=O)[O-])c([O-])c1 ZINC001597500394 988055252 /nfs/dbraw/zinc/05/52/52/988055252.db2.gz LOODIJDAHSONPO-LLVKDONJSA-N -2 3 281.308 1.174 20 0 CDADHL CCc1ccc(C(=O)N[C@]2(CC(=O)[O-])CCOC2)c([O-])c1 ZINC001597500842 988058648 /nfs/dbraw/zinc/05/86/48/988058648.db2.gz YDSIJFUDGOJEGQ-HNNXBMFYSA-N -2 3 293.319 1.318 20 0 CDADHL CSc1nc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])n[n-]1 ZINC001599829358 988646451 /nfs/dbraw/zinc/64/64/51/988646451.db2.gz WBKZHQVGTBXSHN-NKWVEPMBSA-N -2 3 284.341 1.356 20 0 CDADHL CC[C@H](C)[C@@H](OC(=O)c1c[n-]c(C(=O)OC)c1)C(=O)[O-] ZINC001604942511 1163390820 /nfs/dbraw/zinc/39/08/20/1163390820.db2.gz CAZKHGRYSYRSTP-OIBJUYFYSA-N -2 3 283.280 1.457 20 0 CDADHL CO[C@@H]1CCC[C@H](CC(=O)[N-]OCCCC(=O)[O-])C1 ZINC001599111200 997571480 /nfs/dbraw/zinc/57/14/80/997571480.db2.gz BQXWIVJWTVBBKG-WDEREUQCSA-N -2 3 273.329 1.494 20 0 CDADHL C/C=C/C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000629343599 361848435 /nfs/dbraw/zinc/84/84/35/361848435.db2.gz YKDXKKKKKGBXAL-ONEGZZNKSA-N -2 3 291.350 1.309 20 0 CDADHL CCOC(=O)c1nc([N-]S(=O)(=O)CCCCF)c[n-]1 ZINC000588945182 342363064 /nfs/dbraw/zinc/36/30/64/342363064.db2.gz ZETHUXLLQPMFIT-UHFFFAOYSA-N -2 3 293.320 1.078 20 0 CDADHL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000127103098 187281884 /nfs/dbraw/zinc/28/18/84/187281884.db2.gz SPWYTMOHCQUBOU-ZCFIWIBFSA-N -2 3 295.719 1.621 20 0 CDADHL CC[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC000270502307 190703942 /nfs/dbraw/zinc/70/39/42/190703942.db2.gz NTBOZJIEIWNXGI-MRVPVSSYSA-N -2 3 297.254 1.245 20 0 CDADHL CCC1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)CCC1 ZINC000584588737 346375745 /nfs/dbraw/zinc/37/57/45/346375745.db2.gz ZNUMRRXXGWZBCV-UHFFFAOYSA-N -2 3 287.337 1.897 20 0 CDADHL COc1ccc([O-])c([N-]S(=O)(=O)C[C@@H]2CCCO2)c1 ZINC000229948542 140204912 /nfs/dbraw/zinc/20/49/12/140204912.db2.gz KXDGPBLQBBYIEJ-JTQLQIEISA-N -2 3 287.337 1.322 20 0 CDADHL CC1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CCCC1 ZINC000111620619 349230377 /nfs/dbraw/zinc/23/03/77/349230377.db2.gz OCRBGDXZXXRUCC-UHFFFAOYSA-N -2 3 287.337 1.836 20 0 CDADHL CCC[C@H](NC(=O)c1ccc(C)cc1[O-])c1nnn[n-]1 ZINC000092424824 180383665 /nfs/dbraw/zinc/38/36/65/180383665.db2.gz QFKQQHXDPWLSAF-JTQLQIEISA-N -2 3 275.312 1.485 20 0 CDADHL CCC[C@H](NC(=O)c1ccc(C)cc1[O-])c1nn[n-]n1 ZINC000092424824 180383667 /nfs/dbraw/zinc/38/36/67/180383667.db2.gz QFKQQHXDPWLSAF-JTQLQIEISA-N -2 3 275.312 1.485 20 0 CDADHL CC(C)(O)CO[N-]C(=O)c1c(F)ccc([O-])c1F ZINC000294458522 199047854 /nfs/dbraw/zinc/04/78/54/199047854.db2.gz QGRUKOOXDWCNCS-UHFFFAOYSA-N -2 3 261.224 1.103 20 0 CDADHL CC(C)[C@H](C[N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000087492431 358344586 /nfs/dbraw/zinc/34/45/86/358344586.db2.gz WHSBDZGKNGCNKC-VIFPVBQESA-N -2 3 289.328 1.461 20 0 CDADHL O=C([O-])CCCN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000262300021 359151979 /nfs/dbraw/zinc/15/19/79/359151979.db2.gz ZMKPQRPYOUGKBN-UHFFFAOYSA-N -2 3 292.335 1.015 20 0 CDADHL C/C=C/C[C@H](NC(=O)c1cc(OC)ccc1[O-])C(=O)[O-] ZINC000263253738 359250314 /nfs/dbraw/zinc/25/03/14/359250314.db2.gz HVWMJJISAVDNQV-UFFNRZRYSA-N -2 3 279.292 1.550 20 0 CDADHL Cc1csc(S(=O)(=O)[N-]CCCCCC(=O)[O-])c1 ZINC000457349304 364007589 /nfs/dbraw/zinc/00/75/89/364007589.db2.gz IFHBVFMNOPBRQO-UHFFFAOYSA-N -2 3 291.394 1.980 20 0 CDADHL Cc1ncc(CNCc2c(F)ccc([O-])c2F)c(=O)[n-]1 ZINC000352852411 364050681 /nfs/dbraw/zinc/05/06/81/364050681.db2.gz GIKRTILDHBBRCZ-UHFFFAOYSA-N -2 3 281.262 1.764 20 0 CDADHL C[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000159588268 364237626 /nfs/dbraw/zinc/23/76/26/364237626.db2.gz AXKBNOZSOKZBGK-ZCFIWIBFSA-N -2 3 295.719 1.478 20 0 CDADHL CC(C)[C@@H](C)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000081043201 373644762 /nfs/dbraw/zinc/64/47/62/373644762.db2.gz SBKLDCGROQIFEI-QMMMGPOBSA-N -2 3 275.326 1.548 20 0 CDADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cnoc2C)c1 ZINC000342779932 374473996 /nfs/dbraw/zinc/47/39/96/374473996.db2.gz LNYXQXBZBXZMSD-UHFFFAOYSA-N -2 3 284.293 1.498 20 0 CDADHL O=C([O-])c1ccccc1[N-]S(=O)(=O)CCOCC1CC1 ZINC000424063114 246316259 /nfs/dbraw/zinc/31/62/59/246316259.db2.gz MBTUYOTWLOGUIF-UHFFFAOYSA-N -2 3 299.348 1.553 20 0 CDADHL CO[C@@H](C)CS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1 ZINC000278528426 194028374 /nfs/dbraw/zinc/02/83/74/194028374.db2.gz CZHBJZCEJOVROV-QMMMGPOBSA-N -2 3 273.310 1.161 20 0 CDADHL Cc1ccc([O-])c(CNCc2cnc(C)[n-]c2=O)n1 ZINC000344338245 379506618 /nfs/dbraw/zinc/50/66/18/379506618.db2.gz WMRRJGUYVCEBCV-UHFFFAOYSA-N -2 3 260.297 1.189 20 0 CDADHL CC[C@H](NC(=O)c1ccc2c(c1[O-])CCCC2)C(=O)[O-] ZINC000647254841 390802736 /nfs/dbraw/zinc/80/27/36/390802736.db2.gz AQAAVLGKNANNCB-LBPRGKRZSA-N -2 3 277.320 1.864 20 0 CDADHL Cc1n[n-]c(=NC(=O)c2cc(-c3cccs3)[n-]n2)n1C ZINC000345400500 391176979 /nfs/dbraw/zinc/17/69/79/391176979.db2.gz YPDLGMSBKOBCQX-UHFFFAOYSA-N -2 3 288.336 1.249 20 0 CDADHL CCC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1F)C(=O)[O-] ZINC000262672535 131249843 /nfs/dbraw/zinc/24/98/43/131249843.db2.gz PXOKNPFHEFLOLV-JTQLQIEISA-N -2 3 289.328 1.666 20 0 CDADHL Cc1occc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000645960071 393434936 /nfs/dbraw/zinc/43/49/36/393434936.db2.gz QGKSLSHSAQOHNG-UHFFFAOYSA-N -2 3 299.304 1.666 20 0 CDADHL CC[C@H](C[N-]S(=O)(=O)c1cc(C)cs1)C(=O)[O-] ZINC000654769863 413696869 /nfs/dbraw/zinc/69/68/69/413696869.db2.gz KTOCODWUCYIJNE-MRVPVSSYSA-N -2 3 277.367 1.446 20 0 CDADHL CSc1ccc([O-])c(C(=O)N(C)C[C@H](C)C(=O)[O-])c1 ZINC000659765179 414091326 /nfs/dbraw/zinc/09/13/26/414091326.db2.gz OIDYMWZFMVLZMX-QMMMGPOBSA-N -2 3 283.349 1.907 20 0 CDADHL C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000071207694 176081027 /nfs/dbraw/zinc/08/10/27/176081027.db2.gz QSNYPGNFLUUMRZ-VXNVDRBHSA-N -2 3 289.378 1.913 20 0 CDADHL C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000565653309 293654563 /nfs/dbraw/zinc/65/45/63/293654563.db2.gz DGSAVFFTEXQWPU-RNFRBKRXSA-N -2 3 290.366 1.308 20 0 CDADHL CC(C)[C@@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000568758775 294096225 /nfs/dbraw/zinc/09/62/25/294096225.db2.gz RSJFHKLGKAMSJD-QMMMGPOBSA-N -2 3 275.326 1.548 20 0 CDADHL O=C(Cc1cccc(C2CC2)c1)N=c1ccc([O-])n[n-]1 ZINC000577601597 317362934 /nfs/dbraw/zinc/36/29/34/317362934.db2.gz ALZVASMNOZADDJ-UHFFFAOYSA-N -2 3 269.304 1.663 20 0 CDADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccco1 ZINC000682895774 483375544 /nfs/dbraw/zinc/37/55/44/483375544.db2.gz BSDATUMYODKSKB-VIFPVBQESA-N -2 3 275.326 1.591 20 0 CDADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]CC(F)F ZINC000136565784 483414614 /nfs/dbraw/zinc/41/46/14/483414614.db2.gz JDZIFFIZXPUHQI-UHFFFAOYSA-N -2 3 285.293 1.298 20 0 CDADHL Cc1cccc(C(=O)N(CC(=O)[O-])CC(C)C)c1[O-] ZINC000062742061 524164676 /nfs/dbraw/zinc/16/46/76/524164676.db2.gz BWBNIUGMLZFHHS-UHFFFAOYSA-N -2 3 265.309 1.883 20 0 CDADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]CC(C)C)c1F ZINC000184853600 524191430 /nfs/dbraw/zinc/19/14/30/524191430.db2.gz XQRZBDAEEXCKRE-UHFFFAOYSA-N -2 3 289.328 1.767 20 0 CDADHL CC(C)[C@H](NC(=O)[O-])C(=O)NCc1ccc([O-])c(F)c1 ZINC000736371714 575644127 /nfs/dbraw/zinc/64/41/27/575644127.db2.gz VXKYNOHQKFKLGP-NSHDSACASA-N -2 3 284.287 1.440 20 0 CDADHL O=C([O-])CCCc1nnc([N-]C(=O)c2ccco2)s1 ZINC000739710852 576283465 /nfs/dbraw/zinc/28/34/65/576283465.db2.gz KNEVKXQHCJCQOR-UHFFFAOYSA-N -2 3 281.293 1.791 20 0 CDADHL Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000833003963 601845701 /nfs/dbraw/zinc/84/57/01/601845701.db2.gz ZBBHKEOPOLFGNX-UHFFFAOYSA-N -2 3 289.247 1.147 20 0 CDADHL CCOC(=O)c1ccc(NC(=O)[C@@H](C)CC(=O)[O-])c([O-])c1 ZINC000829881623 602299157 /nfs/dbraw/zinc/29/91/57/602299157.db2.gz PUVYIPHAJHVBPV-QMMMGPOBSA-N -2 3 295.291 1.618 20 0 CDADHL O=C([O-])CCc1nnc([N-]C(=O)c2cncc(F)c2)s1 ZINC000833243152 602313806 /nfs/dbraw/zinc/31/38/06/602313806.db2.gz YBAQCFWGTXVJOZ-UHFFFAOYSA-N -2 3 296.283 1.342 20 0 CDADHL CC[C@H](C)N(CC(=O)[O-])C(=O)Cc1ccc([O-])c(F)c1 ZINC000909312383 628627505 /nfs/dbraw/zinc/62/75/05/628627505.db2.gz LVFXSACWGSNNNP-VIFPVBQESA-N -2 3 283.299 1.786 20 0 CDADHL CCc1ccc(C(=O)N[C@](C)(C(=O)[O-])C2CC2)c([O-])c1 ZINC001605804798 1163677274 /nfs/dbraw/zinc/67/72/74/1163677274.db2.gz LSMKIQYQUQBVSY-HNNXBMFYSA-N -2 3 277.320 1.938 20 0 CDADHL Cc1cccc2c(CC(=O)[N-]OCCCC(=O)[O-])c[nH]c21 ZINC001607864862 1164315285 /nfs/dbraw/zinc/31/52/85/1164315285.db2.gz VZRQKKBBGKVPMV-UHFFFAOYSA-N -2 3 290.319 1.931 20 0 CDADHL O=C([O-])CCCOc1ccc(-c2nn[n-]n2)cc1Cl ZINC000095151923 1166595055 /nfs/dbraw/zinc/59/50/55/1166595055.db2.gz BSADLRXJTBYBFY-UHFFFAOYSA-N -2 3 282.687 1.764 20 0 CDADHL Cc1c2c(nc3ccc(-c4nnn[n-]4)cc13)C[C@@H](C(=O)[O-])C2 ZINC001591830457 1173712902 /nfs/dbraw/zinc/71/29/02/1173712902.db2.gz IYQVKVIOBYRVCZ-VIFPVBQESA-N -2 3 295.302 1.523 20 0 CDADHL Cc1c2c(nc3ccc(-c4nn[n-]n4)cc13)C[C@@H](C(=O)[O-])C2 ZINC001591830457 1173712909 /nfs/dbraw/zinc/71/29/09/1173712909.db2.gz IYQVKVIOBYRVCZ-VIFPVBQESA-N -2 3 295.302 1.523 20 0 CDADHL Cc1ccc(CC(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)o1 ZINC001592146216 1173811647 /nfs/dbraw/zinc/81/16/47/1173811647.db2.gz SNRJCBUSPNBNTP-UHFFFAOYSA-N -2 3 299.290 1.421 20 0 CDADHL Cc1ccc(CC(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)o1 ZINC001592146216 1173811650 /nfs/dbraw/zinc/81/16/50/1173811650.db2.gz SNRJCBUSPNBNTP-UHFFFAOYSA-N -2 3 299.290 1.421 20 0 CDADHL O=C([O-])[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001593278929 1174049613 /nfs/dbraw/zinc/04/96/13/1174049613.db2.gz HNFYBFJABMWWIT-OCAPTIKFSA-N -2 3 277.259 1.281 20 0 CDADHL Cc1nc(NCc2ccc(CC(=O)[O-])cc2)cc(=O)[n-]1 ZINC001600718393 1174579660 /nfs/dbraw/zinc/57/96/60/1174579660.db2.gz OXNAAMBVUSBFHN-UHFFFAOYSA-N -2 3 273.292 1.730 20 0 CDADHL N[C@H](CCC(=O)[O-])c1nc(-c2ccc([O-])cc2F)no1 ZINC001601175746 1174773127 /nfs/dbraw/zinc/77/31/27/1174773127.db2.gz AAJXPNJPHJGFRX-SECBINFHSA-N -2 3 281.243 1.446 20 0 CDADHL O=C([O-])[C@H](CC1CC1)NC(=O)c1cc(F)cc2n[n-]nc21 ZINC001601409250 1174860493 /nfs/dbraw/zinc/86/04/93/1174860493.db2.gz XZFDQYLRKNNXHB-JTQLQIEISA-N -2 3 292.270 1.080 20 0 CDADHL O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)c3c([O-])cccc3O)[C@@H]2C1 ZINC001601579298 1174906923 /nfs/dbraw/zinc/90/69/23/1174906923.db2.gz TVVZYYPQTSBQBU-RGOKHQFPSA-N -2 3 291.303 1.327 20 0 CDADHL O=C([O-])[C@@H]1CCC[C@@H](c2nc(-c3cc(=O)[n-]cn3)no2)C1 ZINC001601802688 1175013088 /nfs/dbraw/zinc/01/30/88/1175013088.db2.gz AJJDKJYZRHENIB-HTQZYQBOSA-N -2 3 290.279 1.591 20 0 CDADHL O=C([O-])c1cc(CSCCc2nnn[n-]2)cs1 ZINC001602261115 1175188193 /nfs/dbraw/zinc/18/81/93/1175188193.db2.gz MPUCBXLUVNPKLO-UHFFFAOYSA-N -2 3 270.339 1.435 20 0 CDADHL O=C([O-])c1cc(CSCCc2nn[n-]n2)cs1 ZINC001602261115 1175188195 /nfs/dbraw/zinc/18/81/95/1175188195.db2.gz MPUCBXLUVNPKLO-UHFFFAOYSA-N -2 3 270.339 1.435 20 0 CDADHL C/C(=C/CSc1nc2c(cnn2C)c(=O)[n-]1)C(=O)[O-] ZINC001602982051 1175471955 /nfs/dbraw/zinc/47/19/55/1175471955.db2.gz SSNNRNWDXVXGQO-UTCJRWHESA-N -2 3 280.309 1.192 20 0 CDADHL CC(C)c1ccc(C(=O)NC[C@](C)(O)C(=O)[O-])c([O-])c1 ZINC001603997323 1175710794 /nfs/dbraw/zinc/71/07/94/1175710794.db2.gz XFLVFKUQIMAVDM-AWEZNQCLSA-N -2 3 281.308 1.081 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)Cc1cccc2ncccc12 ZINC001608716491 1164619405 /nfs/dbraw/zinc/61/94/05/1164619405.db2.gz PMXTUAUENCMSCF-UHFFFAOYSA-N -2 3 288.303 1.690 20 0 CDADHL CC1(C)C[C@]1(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000706543292 738711167 /nfs/dbraw/zinc/71/11/67/738711167.db2.gz KXTWFZJNVCRGIK-GFCCVEGCSA-N -2 3 287.337 1.692 20 0 CDADHL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000841774748 737114741 /nfs/dbraw/zinc/11/47/41/737114741.db2.gz QAESIKMGGXYJGI-RXMQYKEDSA-N -2 3 296.707 1.016 20 0 CDADHL CC(=O)Nc1ccc([O-])c(C(=O)N(C)C(C)(C)C(=O)[O-])c1 ZINC001609624811 1165019769 /nfs/dbraw/zinc/01/97/69/1165019769.db2.gz SVRANBNVICVZLF-UHFFFAOYSA-N -2 3 294.307 1.286 20 0 CDADHL Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001610560983 1165354867 /nfs/dbraw/zinc/35/48/67/1165354867.db2.gz RYISZKBMXFTKJQ-SFYZADRCSA-N -2 3 295.295 1.026 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)C[C@@H]1CCC(F)(F)C1 ZINC001601995381 1167813036 /nfs/dbraw/zinc/81/30/36/1167813036.db2.gz RDJCZYUJUKPZAU-QMMMGPOBSA-N -2 3 265.256 1.725 20 0 CDADHL O=C([O-])c1ccc(C[S@@](=O)c2ccc([O-])cc2)nc1 ZINC001602358081 1167819163 /nfs/dbraw/zinc/81/91/63/1167819163.db2.gz XJTXXYHQCCJBEQ-LJQANCHMSA-N -2 3 277.301 1.793 20 0 CDADHL CCOC(=O)c1nonc1[N-]c1ccc(C(=O)[O-])c(F)c1 ZINC001175154300 913463798 /nfs/dbraw/zinc/46/37/98/913463798.db2.gz INTZIVCBHYBYCW-UHFFFAOYSA-N -2 3 295.226 1.827 20 0 CDADHL O=C([O-])C[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)CCO1 ZINC000236429573 895596742 /nfs/dbraw/zinc/59/67/42/895596742.db2.gz KIKYGVWMIFUAMJ-SECBINFHSA-N -2 3 299.710 1.361 20 0 CDADHL O=C([O-])C1([N-]S(=O)(=O)c2cccnc2Cl)CCC1 ZINC000164950031 911398579 /nfs/dbraw/zinc/39/85/79/911398579.db2.gz YXKPHEYDUJUVFY-UHFFFAOYSA-N -2 3 290.728 1.021 20 0 CDADHL CC1(C)C[C@@H](C[N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-])O1 ZINC001180176795 916174273 /nfs/dbraw/zinc/17/42/73/916174273.db2.gz OSEVIXGCBYQQOP-YFKPBYRVSA-N -2 3 287.209 1.025 20 0 CDADHL CCc1nc(C(=O)NCCCCP(=O)([O-])[O-])cs1 ZINC001190049172 921812806 /nfs/dbraw/zinc/81/28/06/921812806.db2.gz UKBYBQPPRQUTPN-UHFFFAOYSA-N -2 3 292.297 1.393 20 0 CDADHL O=S(=O)([O-])c1cccc(NCc2ncccc2[O-])n1 ZINC001169732091 928398022 /nfs/dbraw/zinc/39/80/22/928398022.db2.gz HUQGFJTYCDUPNS-UHFFFAOYSA-N -2 3 281.293 1.041 20 0 CDADHL CCOc1ccc(C(=O)[O-])cc1[N-]c1nonc1OC ZINC001214268989 940812599 /nfs/dbraw/zinc/81/25/99/940812599.db2.gz UZCHEZNHSFEXBO-UHFFFAOYSA-N -2 3 279.252 1.919 20 0 CDADHL CCOC(=O)C[C@H](OCCP(=O)([O-])[O-])C(F)(F)F ZINC001224608135 941775809 /nfs/dbraw/zinc/77/58/09/941775809.db2.gz ZTAWLSSZMQZVDT-LURJTMIESA-N -2 3 294.162 1.065 20 0 CDADHL CC(C)N1CC(OCCCCP(=O)([O-])[O-])C1 ZINC001225023534 941816416 /nfs/dbraw/zinc/81/64/16/941816416.db2.gz XLYXINAPKLOXDW-UHFFFAOYSA-N -2 3 251.263 1.054 20 0 CDADHL O=c1nc(O[C@@H](c2cccnc2)C2CC2)[n-]c(=O)[n-]1 ZINC001227569517 942190866 /nfs/dbraw/zinc/19/08/66/942190866.db2.gz CEVKBEQMFWKNIL-SECBINFHSA-N -2 3 260.253 1.208 20 0 CDADHL O=C([O-])Cc1ccccc1NC([O-])=NO[C@@H]1CCCCO1 ZINC001611513849 971090031 /nfs/dbraw/zinc/09/00/31/971090031.db2.gz CAVYJFYKVHIRIJ-CYBMUJFWSA-N -2 3 294.307 1.893 20 0 CDADHL O=C([O-])Cc1ccccc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC001611513849 971090038 /nfs/dbraw/zinc/09/00/38/971090038.db2.gz CAVYJFYKVHIRIJ-CYBMUJFWSA-N -2 3 294.307 1.893 20 0 CDADHL Cc1ccc([O-])c([N-]S(=O)(=O)CC(F)(F)F)n1 ZINC000702684627 944684813 /nfs/dbraw/zinc/68/48/13/944684813.db2.gz BCHKSZAMMUGWEH-UHFFFAOYSA-N -2 3 270.232 1.400 20 0 CDADHL C[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000079480165 949003234 /nfs/dbraw/zinc/00/32/34/949003234.db2.gz GUEBCWLYLCOMOM-ZDUSSCGKSA-N -2 3 265.265 1.177 20 0 CDADHL O=C([O-])c1ccc(NC(=O)c2c([O-])cccc2O)nc1 ZINC000232429033 949770100 /nfs/dbraw/zinc/77/01/00/949770100.db2.gz ZIJVPDMMIPRGJH-UHFFFAOYSA-N -2 3 274.232 1.443 20 0 CDADHL O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cc(=O)[n-]cn1 ZINC001595011948 951250225 /nfs/dbraw/zinc/25/02/25/951250225.db2.gz CAQKZHOESWBFMH-VIFPVBQESA-N -2 3 279.296 1.042 20 0 CDADHL CC(=O)c1cccc([O-])c1[N-]S(=O)(=O)C(C)C ZINC001252529573 951415729 /nfs/dbraw/zinc/41/57/29/951415729.db2.gz KQVBZCWVRTXOMR-UHFFFAOYSA-N -2 3 257.311 1.745 20 0 CDADHL COc1cccc([O-])c1C(=O)NC[C@@H](C(=O)[O-])C(C)C ZINC000404928424 953384166 /nfs/dbraw/zinc/38/41/66/953384166.db2.gz KMGKUJLZXXVTHH-SECBINFHSA-N -2 3 281.308 1.487 20 0 CDADHL CC(C)(C)[C@H](NC(=O)c1ccccc1[O-])c1nc(=O)o[n-]1 ZINC001363455124 972181254 /nfs/dbraw/zinc/18/12/54/972181254.db2.gz BRUXPKUDLSUDLJ-SNVBAGLBSA-N -2 3 291.307 1.586 20 0 CDADHL C[C@@H](CC(=O)[O-])NC(=O)NCc1ccc([O-])c(F)c1 ZINC001603125293 972212972 /nfs/dbraw/zinc/21/29/72/972212972.db2.gz GENCGHZWVNXKRI-ZETCQYMHSA-N -2 3 270.260 1.194 20 0 CDADHL CC(F)(F)CCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000389613305 972235054 /nfs/dbraw/zinc/23/50/54/972235054.db2.gz PINHELQCOYJECP-UHFFFAOYSA-N -2 3 297.279 1.692 20 0 CDADHL CC(=O)c1cccc(NC(=O)C2(C(=O)[O-])CC=CC2)c1[O-] ZINC001588534117 958916661 /nfs/dbraw/zinc/91/66/61/958916661.db2.gz JJVHRRVNKXJDNP-UHFFFAOYSA-N -2 3 289.287 1.954 20 0 CDADHL C[C@@H](C(=O)[O-])C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001588575685 959223222 /nfs/dbraw/zinc/22/32/22/959223222.db2.gz IMCCKUPYICGTEX-ZCFIWIBFSA-N -2 3 283.284 1.024 20 0 CDADHL C[C@@H](C(=O)[O-])C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001588575685 959223242 /nfs/dbraw/zinc/22/32/42/959223242.db2.gz IMCCKUPYICGTEX-ZCFIWIBFSA-N -2 3 283.284 1.024 20 0 CDADHL O=C([O-])c1ccc(CNC(=O)c2c([O-])cccc2O)cn1 ZINC000232429871 960268056 /nfs/dbraw/zinc/26/80/56/960268056.db2.gz BVOHJFAVDBAQPF-UHFFFAOYSA-N -2 3 288.259 1.121 20 0 CDADHL C[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)C[C@H]1C(=O)[O-] ZINC000235325869 960411471 /nfs/dbraw/zinc/41/14/71/960411471.db2.gz YVESPBMHDWNQIL-GMSGAONNSA-N -2 3 283.711 1.838 20 0 CDADHL CC[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001571041279 960580316 /nfs/dbraw/zinc/58/03/16/960580316.db2.gz IXJAFXLAYKJEHE-RQJHMYQMSA-N -2 3 290.366 1.166 20 0 CDADHL CC1(C)CC[C@H]1[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000310728669 963429135 /nfs/dbraw/zinc/42/91/35/963429135.db2.gz BIUICWBYYWOTGC-ZCFIWIBFSA-N -2 3 290.366 1.308 20 0 CDADHL CC[C@@H](C)CNC(=S)NCCCCP(=O)([O-])[O-] ZINC001200273140 967794548 /nfs/dbraw/zinc/79/45/48/967794548.db2.gz FGLGUXPIOUESBQ-SECBINFHSA-N -2 3 282.346 1.455 20 0 CDADHL CC[C@@H](C)NC(=S)NCCCCP(=O)([O-])[O-] ZINC001200498951 968342889 /nfs/dbraw/zinc/34/28/89/968342889.db2.gz YGUNYJJQDAXOEG-MRVPVSSYSA-N -2 3 268.319 1.207 20 0 CDADHL O=C([O-])c1ccnc(NC(=O)[N-]OCC(F)F)c1 ZINC001605820933 972550789 /nfs/dbraw/zinc/55/07/89/972550789.db2.gz MJRXFYLSEXEREU-UHFFFAOYSA-N -2 3 261.184 1.098 20 0 CDADHL O=C([O-])CCSCc1cc(=O)[n-]c(C2CC2)n1 ZINC001606209767 973453780 /nfs/dbraw/zinc/45/37/80/973453780.db2.gz FLVQHZQQCMZXHO-UHFFFAOYSA-N -2 3 254.311 1.768 20 0 CDADHL COc1cccc([O-])c1C(=O)NCC1(C(=O)[O-])CCCC1 ZINC000404729938 973744540 /nfs/dbraw/zinc/74/45/40/973744540.db2.gz QGQCFOGZZWGDEY-UHFFFAOYSA-N -2 3 293.319 1.776 20 0 CDADHL CC(C)OCCO[N-]C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001591727064 975693383 /nfs/dbraw/zinc/69/33/83/975693383.db2.gz UEPVOAYCPGYYCT-UHFFFAOYSA-N -2 3 295.335 1.790 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000694221775 976685048 /nfs/dbraw/zinc/68/50/48/976685048.db2.gz KWPIPEHUBIFIQY-FKTZTGRPSA-N -2 3 285.321 1.445 20 0 CDADHL COc1cc(C(=O)[N-]c2ccsc2C(=O)[O-])on1 ZINC000704754556 977253180 /nfs/dbraw/zinc/25/31/80/977253180.db2.gz JEUFCDCHLQUMKK-UHFFFAOYSA-N -2 3 268.250 1.695 20 0 CDADHL C[C@](CC(=O)[O-])([N-]S(=O)(=O)c1cscn1)C1CC1 ZINC001592333926 977776499 /nfs/dbraw/zinc/77/64/99/977776499.db2.gz LEQQVNDZGSABSR-SNVBAGLBSA-N -2 3 290.366 1.065 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]C2(C3CC3)CCC2)c1 ZINC000717875444 977923359 /nfs/dbraw/zinc/92/33/59/977923359.db2.gz SHEQCOZSHLVRTN-UHFFFAOYSA-N -2 3 285.321 1.589 20 0 CDADHL CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)/C=C\C(=O)[O-])c1 ZINC001589199489 985633117 /nfs/dbraw/zinc/63/31/17/985633117.db2.gz OJNLXAQDIVDNRM-WAXIIBMWSA-N -2 3 292.291 1.110 20 0 CDADHL O=C([O-])[C@@H]1CCCCN1C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001595161368 1174196568 /nfs/dbraw/zinc/19/65/68/1174196568.db2.gz LDQTXGCHCHLKBQ-JTQLQIEISA-N -2 3 291.307 1.139 20 0 CDADHL Cc1ccc(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])c([O-])c1 ZINC001574149846 1170898105 /nfs/dbraw/zinc/89/81/05/1170898105.db2.gz RVECUEOUHWRYMY-CWSCBRNRSA-N -2 3 275.304 1.778 20 0 CDADHL CC(C)(C)CC[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000123853150 342065826 /nfs/dbraw/zinc/06/58/26/342065826.db2.gz OXVFZSNZTBBCAJ-UHFFFAOYSA-N -2 3 292.382 1.556 20 0 CDADHL CC[C@](C)([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000094221025 342063532 /nfs/dbraw/zinc/06/35/32/342063532.db2.gz LRVYAJDSLNULTC-VIFPVBQESA-N -2 3 297.785 1.933 20 0 CDADHL CSCCC[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000596085162 343220659 /nfs/dbraw/zinc/22/06/59/343220659.db2.gz BPTGPSPIGWXMJL-UHFFFAOYSA-N -2 3 293.366 1.318 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)c(F)c1 ZINC000282961380 362179771 /nfs/dbraw/zinc/17/97/71/362179771.db2.gz WBOHUMOOEDCGQC-UHFFFAOYSA-N -2 3 287.312 1.420 20 0 CDADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2CC=CCC2)c1 ZINC000088747440 349273582 /nfs/dbraw/zinc/27/35/82/349273582.db2.gz YBYAFAJGUNOODG-VIFPVBQESA-N -2 3 287.362 1.833 20 0 CDADHL COc1cc(C(=O)[N-]c2n[n-]c(C(F)(F)F)n2)sn1 ZINC000621443798 350599364 /nfs/dbraw/zinc/59/93/64/350599364.db2.gz SZRWSJVGTZQYNY-UHFFFAOYSA-N -2 3 293.230 1.541 20 0 CDADHL CC1(C)C[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000569841353 363135175 /nfs/dbraw/zinc/13/51/75/363135175.db2.gz SIMWQLDKMPRUQP-MRVPVSSYSA-N -2 3 273.310 1.302 20 0 CDADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000035085662 356827266 /nfs/dbraw/zinc/82/72/66/356827266.db2.gz ZKXOBSKVOCHOST-MRVPVSSYSA-N -2 3 279.264 1.106 20 0 CDADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000035085815 356827556 /nfs/dbraw/zinc/82/75/56/356827556.db2.gz XWERRIKOTRXPJV-MRVPVSSYSA-N -2 3 295.719 1.621 20 0 CDADHL Cc1ccc([N-]S(=O)(=O)C[C@H]2CCCO2)c([O-])c1 ZINC000063156132 357508167 /nfs/dbraw/zinc/50/81/67/357508167.db2.gz RTJDQWAHAPXSIK-SNVBAGLBSA-N -2 3 271.338 1.621 20 0 CDADHL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)C1CC1 ZINC000080935693 358109683 /nfs/dbraw/zinc/10/96/83/358109683.db2.gz MOTJJOLOOCENSD-UHFFFAOYSA-N -2 3 271.294 1.298 20 0 CDADHL Cc1cccc(C(=O)N(C)C[C@H](C)c2nnn[n-]2)c1[O-] ZINC000095343737 358682826 /nfs/dbraw/zinc/68/28/26/358682826.db2.gz OYSXGIQJLVXCGY-VIFPVBQESA-N -2 3 275.312 1.089 20 0 CDADHL Cc1cccc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)c1[O-] ZINC000095343737 358682829 /nfs/dbraw/zinc/68/28/29/358682829.db2.gz OYSXGIQJLVXCGY-VIFPVBQESA-N -2 3 275.312 1.089 20 0 CDADHL C/C=C/C[C@@H](NC(=O)c1cc(OC)ccc1[O-])C(=O)[O-] ZINC000263253734 359250326 /nfs/dbraw/zinc/25/03/26/359250326.db2.gz HVWMJJISAVDNQV-PGLGOXFNSA-N -2 3 279.292 1.550 20 0 CDADHL O=C([O-])CSCC(=O)N1CCCc2cccc([O-])c21 ZINC000263453713 359282860 /nfs/dbraw/zinc/28/28/60/359282860.db2.gz TYYVIDOYRWSZFR-UHFFFAOYSA-N -2 3 281.333 1.489 20 0 CDADHL O=C(CCSCc1ccccc1)N=c1ccc([O-])n[n-]1 ZINC000348506501 360112409 /nfs/dbraw/zinc/11/24/09/360112409.db2.gz GQIPYBNKRCODLV-UHFFFAOYSA-N -2 3 289.360 1.866 20 0 CDADHL Cc1nc(=NC(=O)c2nn[n-]c2-c2ccccc2)s[n-]1 ZINC000338387077 360890490 /nfs/dbraw/zinc/89/04/90/360890490.db2.gz ORCICOVVXPRORA-UHFFFAOYSA-N -2 3 286.320 1.306 20 0 CDADHL Cc1nc(=NC(=O)c2[n-]nnc2-c2ccccc2)s[n-]1 ZINC000338387077 360890495 /nfs/dbraw/zinc/89/04/95/360890495.db2.gz ORCICOVVXPRORA-UHFFFAOYSA-N -2 3 286.320 1.306 20 0 CDADHL Cc1nc(=NC(=O)c2n[n-]nc2-c2ccccc2)s[n-]1 ZINC000338387077 360890499 /nfs/dbraw/zinc/89/04/99/360890499.db2.gz ORCICOVVXPRORA-UHFFFAOYSA-N -2 3 286.320 1.306 20 0 CDADHL CSC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000169157130 365030037 /nfs/dbraw/zinc/03/00/37/365030037.db2.gz OFKWRAODDFOAAG-LURJTMIESA-N -2 3 295.407 1.476 20 0 CDADHL O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2F)C1 ZINC000573596220 371593880 /nfs/dbraw/zinc/59/38/80/371593880.db2.gz KUHPOVDVDQIQGM-FKQCQYRASA-N -2 3 291.275 1.106 20 0 CDADHL COc1ccc(C(=O)N[C@H](C)[C@@H](C)C(=O)[O-])c([O-])c1 ZINC000132720561 375578320 /nfs/dbraw/zinc/57/83/20/375578320.db2.gz ZMWZFHNJJLLICN-HTQZYQBOSA-N -2 3 267.281 1.240 20 0 CDADHL Cc1ncc(CN=c2nc(C(C)(C)C)[n-]s2)c(=O)[n-]1 ZINC000489917805 253017379 /nfs/dbraw/zinc/01/73/79/253017379.db2.gz ZNSYKHAQVHPJOO-UHFFFAOYSA-N -2 3 279.369 1.674 20 0 CDADHL CC(C)C[C@@H](C[N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000094703112 184844426 /nfs/dbraw/zinc/84/44/26/184844426.db2.gz GCKZPODUAKIGSP-VIFPVBQESA-N -2 3 291.394 1.773 20 0 CDADHL COc1cccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)c1[O-] ZINC000263524012 390553712 /nfs/dbraw/zinc/55/37/12/390553712.db2.gz SMCMMWCPYWMJIV-NXEZZACHSA-N -2 3 293.319 1.726 20 0 CDADHL CCc1ccc(C(=O)NCCc2c(C)[n-][nH]c2=O)c([O-])c1 ZINC000526051174 390913926 /nfs/dbraw/zinc/91/39/26/390913926.db2.gz RDSONKOZSMYIBR-LLVKDONJSA-N -2 3 289.335 1.196 20 0 CDADHL O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)c1c[n-]nn1 ZINC000520229595 391753083 /nfs/dbraw/zinc/75/30/83/391753083.db2.gz XQTJIUZEVYIJTK-NSHDSACASA-N -2 3 288.307 1.011 20 0 CDADHL O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)c1cn[n-]n1 ZINC000520229595 391753085 /nfs/dbraw/zinc/75/30/85/391753085.db2.gz XQTJIUZEVYIJTK-NSHDSACASA-N -2 3 288.307 1.011 20 0 CDADHL O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)c1cnn[n-]1 ZINC000520229595 391753087 /nfs/dbraw/zinc/75/30/87/391753087.db2.gz XQTJIUZEVYIJTK-NSHDSACASA-N -2 3 288.307 1.011 20 0 CDADHL CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(C)C ZINC000042589887 398014234 /nfs/dbraw/zinc/01/42/34/398014234.db2.gz LXENYRYCRMQCIY-QMMMGPOBSA-N -2 3 275.326 1.691 20 0 CDADHL C[C@H](C(=O)[O-])C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000263566094 298199231 /nfs/dbraw/zinc/19/92/31/298199231.db2.gz WGUYMBOWIOYYLW-BDAKNGLRSA-N -2 3 263.293 1.953 20 0 CDADHL Cc1ccc(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)c([O-])c1 ZINC000035390191 172173322 /nfs/dbraw/zinc/17/33/22/172173322.db2.gz NINFIZWKSDWSOC-LLVKDONJSA-N -2 3 265.309 1.930 20 0 CDADHL O=C([O-])C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccco1 ZINC000654789921 413709891 /nfs/dbraw/zinc/70/98/91/413709891.db2.gz FDTLYVGEFFOKGZ-UWVGGRQHSA-N -2 3 287.337 1.591 20 0 CDADHL COc1ccc(C(=O)NC[C@H](CC(=O)[O-])C2CC2)c([O-])c1 ZINC000659785900 414110729 /nfs/dbraw/zinc/11/07/29/414110729.db2.gz NXXPLJHYEMJQFY-JTQLQIEISA-N -2 3 293.319 1.632 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]CCC(C)C)oc1C(=O)[O-] ZINC000663419854 414241487 /nfs/dbraw/zinc/24/14/87/414241487.db2.gz LLAPEQXBQSGUQV-UHFFFAOYSA-N -2 3 275.326 1.611 20 0 CDADHL CC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000040493902 174293243 /nfs/dbraw/zinc/29/32/43/174293243.db2.gz DOYUNPAUJHLKGK-UHFFFAOYSA-N -2 3 277.367 1.771 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CCC(CCC(=O)[O-])CC2)n1 ZINC000652349694 424280768 /nfs/dbraw/zinc/28/07/68/424280768.db2.gz ZKTQFAVYKICOOK-UHFFFAOYSA-N -2 3 293.367 1.821 20 0 CDADHL O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ncccc2[O-])C1 ZINC000653310136 424553465 /nfs/dbraw/zinc/55/34/65/424553465.db2.gz VQSBUTDPPXRTCB-JGVFFNPUSA-N -2 3 250.254 1.227 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]C2CCCC2)c1 ZINC000571080260 294366547 /nfs/dbraw/zinc/36/65/47/294366547.db2.gz RZWOOUPIIUVHLP-UHFFFAOYSA-N -2 3 259.283 1.199 20 0 CDADHL O=C([O-])CCC1CCN(C(=O)c2ccc(O)cc2[O-])CC1 ZINC000050922240 527573744 /nfs/dbraw/zinc/57/37/44/527573744.db2.gz DHNWVGRNMWIRIB-UHFFFAOYSA-N -2 3 293.319 1.815 20 0 CDADHL C[C@@H](OC(=O)c1cccc(Br)c1[O-])C(=O)[O-] ZINC000736699703 575725294 /nfs/dbraw/zinc/72/52/94/575725294.db2.gz UIORJLVJNQCFME-RXMQYKEDSA-N -2 3 289.081 1.785 20 0 CDADHL CN(CCCC(=O)Nc1ncccc1[O-])C(=O)[O-] ZINC000737433197 575964016 /nfs/dbraw/zinc/96/40/16/575964016.db2.gz LJKLSIZLTUCUCD-UHFFFAOYSA-N -2 3 253.258 1.116 20 0 CDADHL Cc1nc(C)c(CCC(=O)[N-]OCC(F)F)c(=O)[n-]1 ZINC000760145337 576461097 /nfs/dbraw/zinc/46/10/97/576461097.db2.gz VWGCCUYRDXXJEK-UHFFFAOYSA-N -2 3 275.255 1.045 20 0 CDADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CC2CC2)c1F ZINC000020545404 600991710 /nfs/dbraw/zinc/99/17/10/600991710.db2.gz LCPDFGYVGCAMAE-UHFFFAOYSA-N -2 3 291.275 1.351 20 0 CDADHL CC(C)c1ccc(C(=O)N[C@H](C)C(=O)[O-])c([O-])c1 ZINC000820057657 602273440 /nfs/dbraw/zinc/27/34/40/602273440.db2.gz TYIIWBNZANZKIO-MRVPVSSYSA-N -2 3 251.282 1.719 20 0 CDADHL CCCO[N-]C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000844085839 617337604 /nfs/dbraw/zinc/33/76/04/617337604.db2.gz SKZVDHILGNGBCD-UHFFFAOYSA-N -2 3 267.329 1.860 20 0 CDADHL O=S(=O)(C[C@H]1CCCOC1)[N-]c1ccc(F)cc1[O-] ZINC000795333741 619734112 /nfs/dbraw/zinc/73/41/12/619734112.db2.gz FYZWMIKSVVHILW-VIFPVBQESA-N -2 3 289.328 1.700 20 0 CDADHL O=C([O-])COCCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000909634594 620526694 /nfs/dbraw/zinc/52/66/94/620526694.db2.gz KHJJAQSAMOBAKB-UHFFFAOYSA-N -2 3 299.298 1.071 20 0 CDADHL C[C@@H](CC(=O)[O-])CC(=O)[N-]OCc1ccc(F)cc1 ZINC000911805548 629536205 /nfs/dbraw/zinc/53/62/05/629536205.db2.gz LWYDNLRDJLJBHW-SECBINFHSA-N -2 3 269.272 1.874 20 0 CDADHL O=C([O-])C12CC(C1)CN2C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC001609027484 1164733549 /nfs/dbraw/zinc/73/35/49/1164733549.db2.gz XWOCMOYJEOBRQN-UHFFFAOYSA-N -2 3 298.298 1.217 20 0 CDADHL CC(C)(CCNc1ccc(-c2nn[n-]n2)cc1F)C(=O)[O-] ZINC001609083862 1164760114 /nfs/dbraw/zinc/76/01/14/1164760114.db2.gz UQEPHXIKBMTMBG-UHFFFAOYSA-N -2 3 293.302 1.919 20 0 CDADHL CC(C)C[C@H](Nc1cccc(F)c1-c1nnn[n-]1)C(=O)[O-] ZINC001609097402 1164771477 /nfs/dbraw/zinc/77/14/77/1164771477.db2.gz AZEOHYAFOJMLIQ-JTQLQIEISA-N -2 3 293.302 1.917 20 0 CDADHL CC(C)C[C@H](Nc1cccc(F)c1-c1nn[n-]n1)C(=O)[O-] ZINC001609097402 1164771482 /nfs/dbraw/zinc/77/14/82/1164771482.db2.gz AZEOHYAFOJMLIQ-JTQLQIEISA-N -2 3 293.302 1.917 20 0 CDADHL Cc1nc(C(=O)[N-]NC(=O)c2ccccc2[O-])ccc1C#N ZINC000028883484 1165199213 /nfs/dbraw/zinc/19/92/13/1165199213.db2.gz GRTNUVYFVGLOJO-UHFFFAOYSA-N -2 3 296.286 1.042 20 0 CDADHL Cc1n[n-]cc1C(=O)O[C@@H](C(=O)[O-])c1ccsc1 ZINC001610405006 1165309190 /nfs/dbraw/zinc/30/91/90/1165309190.db2.gz RMGBRMPMLUEAPG-SECBINFHSA-N -2 3 266.278 1.762 20 0 CDADHL C[C@H](CC(=O)[O-])Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000095241488 1166613092 /nfs/dbraw/zinc/61/30/92/1166613092.db2.gz WIGGJOUCUFYUDY-ZCFIWIBFSA-N -2 3 281.703 1.795 20 0 CDADHL C[C@H](CC(=O)[O-])Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000095241488 1166613093 /nfs/dbraw/zinc/61/30/93/1166613093.db2.gz WIGGJOUCUFYUDY-ZCFIWIBFSA-N -2 3 281.703 1.795 20 0 CDADHL O=P([O-])([O-])CCCCOC1CCC(O)CC1 ZINC001217901601 1167374703 /nfs/dbraw/zinc/37/47/03/1167374703.db2.gz SLORRPRRMLFAHB-UHFFFAOYSA-N -2 3 252.247 1.264 20 0 CDADHL Cc1[nH]nc(S(=O)(=O)[N-]C23CCC(CC2)C3)c1C(=O)[O-] ZINC001574183179 1170908269 /nfs/dbraw/zinc/90/82/69/1170908269.db2.gz ZKXQZSOKIMDNHU-UHFFFAOYSA-N -2 3 299.352 1.027 20 0 CDADHL O=C([O-])c1coc(/C=C/C(=O)[N-]OCC(F)F)c1 ZINC001601235009 1174803711 /nfs/dbraw/zinc/80/37/11/1174803711.db2.gz ITRWBKLBIQKAIJ-OWOJBTEDSA-N -2 3 261.180 1.304 20 0 CDADHL O=C([O-])c1ncoc1CCC(=O)Nc1ncccc1[O-] ZINC001601298255 1174828164 /nfs/dbraw/zinc/82/81/64/1174828164.db2.gz SVOIEDYKLNFSAM-UHFFFAOYSA-N -2 3 277.236 1.045 20 0 CDADHL O=C([O-])c1ccn(CC(=O)Nc2ccc(Cl)cc2[O-])n1 ZINC001601386004 1174852054 /nfs/dbraw/zinc/85/20/54/1174852054.db2.gz XQZLSQMXYSVEDF-UHFFFAOYSA-N -2 3 295.682 1.579 20 0 CDADHL O=C([O-])C12CCC(C(=O)[N-]OC/C=C\Cl)(CC1)C2 ZINC001601730669 1174972654 /nfs/dbraw/zinc/97/26/54/1174972654.db2.gz AUVCRPBSPPWQNO-BHQIHCQQSA-N -2 3 273.716 1.822 20 0 CDADHL O=C([O-])c1ccccc1CCSCCc1nnn[n-]1 ZINC001602468250 1175247901 /nfs/dbraw/zinc/24/79/01/1175247901.db2.gz SQVSWQSTEBJCCA-UHFFFAOYSA-N -2 3 278.337 1.416 20 0 CDADHL O=C([O-])c1ccccc1CCSCCc1nn[n-]n1 ZINC001602468250 1175247912 /nfs/dbraw/zinc/24/79/12/1175247912.db2.gz SQVSWQSTEBJCCA-UHFFFAOYSA-N -2 3 278.337 1.416 20 0 CDADHL COc1ccc([N-]S(=O)(=O)C(F)F)c([O-])c1 ZINC000223873306 1178078865 /nfs/dbraw/zinc/07/88/65/1178078865.db2.gz CHGADXGUXPWVDH-UHFFFAOYSA-N -2 3 253.226 1.365 20 0 CDADHL O=C([O-])[C@@H]1CCN(c2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC001606961917 1164039720 /nfs/dbraw/zinc/03/97/20/1164039720.db2.gz ZMFRZZOFIBJGSC-SSDOTTSWSA-N -2 3 293.714 1.431 20 0 CDADHL O=C([O-])[C@@H]1CCN(c2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC001606961917 1164039724 /nfs/dbraw/zinc/03/97/24/1164039724.db2.gz ZMFRZZOFIBJGSC-SSDOTTSWSA-N -2 3 293.714 1.431 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H](C1CC1)C1CCC1 ZINC001608956452 1164696603 /nfs/dbraw/zinc/69/66/03/1164696603.db2.gz UOLLMNOWWPSKGF-LLVKDONJSA-N -2 3 299.348 1.835 20 0 CDADHL C[C@@H](CN(C)C(=O)c1cc([O-])ccc1Cl)C(=O)[O-] ZINC000235088404 740876105 /nfs/dbraw/zinc/87/61/05/740876105.db2.gz UZXBBYHMBRDHDI-ZETCQYMHSA-N -2 3 271.700 1.838 20 0 CDADHL Cc1cc(=O)[n-]c(CN2CCc3c(cccc3C(=O)[O-])C2)n1 ZINC000851706673 739670160 /nfs/dbraw/zinc/67/01/60/739670160.db2.gz DLRLOSCBGVFRHN-UHFFFAOYSA-N -2 3 299.330 1.747 20 0 CDADHL C[C@H](CNC(=O)c1cc([O-])ccc1Cl)C(=O)[O-] ZINC000235451432 742342854 /nfs/dbraw/zinc/34/28/54/742342854.db2.gz AHOBYDYAOAGLGG-ZCFIWIBFSA-N -2 3 257.673 1.496 20 0 CDADHL CC(C)[C@@H](NC(=O)c1cc([O-])ccc1Cl)C(=O)[O-] ZINC000232700397 742763655 /nfs/dbraw/zinc/76/36/55/742763655.db2.gz XHLAXAHEHBAPTL-SNVBAGLBSA-N -2 3 271.700 1.885 20 0 CDADHL CCCC[C@H](OC(=O)c1cncc([O-])c1)C(=O)[O-] ZINC001609965656 1165167115 /nfs/dbraw/zinc/16/71/15/1165167115.db2.gz UGVZEABIRAQHFB-JTQLQIEISA-N -2 3 253.254 1.587 20 0 CDADHL Cc1oc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CC2)cc1C(=O)[O-] ZINC001610586995 1165367910 /nfs/dbraw/zinc/36/79/10/1165367910.db2.gz SBCIYGKGGBFJCW-VHSXEESVSA-N -2 3 285.321 1.363 20 0 CDADHL O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)c1ccncc1[O-] ZINC001188628547 921132344 /nfs/dbraw/zinc/13/23/44/921132344.db2.gz DXAVRVBWMSKMRG-UHFFFAOYSA-N -2 3 296.286 1.931 20 0 CDADHL O=S(=O)([N-]c1ccoc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185568086 919659723 /nfs/dbraw/zinc/65/97/23/919659723.db2.gz MNTDZZUOEVIOJT-UHFFFAOYSA-N -2 3 291.292 1.261 20 0 CDADHL O=S(=O)([N-]c1ccoc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185568086 919659729 /nfs/dbraw/zinc/65/97/29/919659729.db2.gz MNTDZZUOEVIOJT-UHFFFAOYSA-N -2 3 291.292 1.261 20 0 CDADHL COC(=O)c1ccc([O-])c([N-]S(=O)(=O)C2CCC2)c1 ZINC001188137470 920851584 /nfs/dbraw/zinc/85/15/84/920851584.db2.gz RADQDLJLOXALDR-UHFFFAOYSA-N -2 3 285.321 1.473 20 0 CDADHL [CH2]CC[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC001196188019 924827110 /nfs/dbraw/zinc/82/71/10/924827110.db2.gz HZFZRPUXRWWXSH-UHFFFAOYSA-N -2 3 278.151 1.347 20 0 CDADHL COc1ccc(F)c(S(=O)(=O)[N-][C@H]2[CH]CC=C2)c1 ZINC001196798057 924982462 /nfs/dbraw/zinc/98/24/62/924982462.db2.gz UCXVVXWIYMQLDM-SECBINFHSA-N -2 3 270.305 1.645 20 0 CDADHL O=C1[N-]C(=O)[C@H](Nc2[n-]c(=O)c(Cl)cc2Cl)S1 ZINC001163662433 939299077 /nfs/dbraw/zinc/29/90/77/939299077.db2.gz NTJBSOSYFKBADR-SSDOTTSWSA-N -2 3 294.119 1.815 20 0 CDADHL CCC[C@H](NC(=O)c1cccc([O-])c1F)c1nnn[n-]1 ZINC001362070416 970847708 /nfs/dbraw/zinc/84/77/08/970847708.db2.gz UMJSIYXGZIGAQQ-QMMMGPOBSA-N -2 3 279.275 1.316 20 0 CDADHL CC(C)C[C@@H](Oc1nc(=O)[n-]c(=O)[n-]1)C(=O)OC(C)C ZINC001227566015 942189300 /nfs/dbraw/zinc/18/93/00/942189300.db2.gz FAZSHRAKROGXGL-MRVPVSSYSA-N -2 3 285.300 1.028 20 0 CDADHL O=c1nc(OC2CCN(c3ccccc3)CC2)[n-]c(=O)[n-]1 ZINC001227569855 942190414 /nfs/dbraw/zinc/19/04/14/942190414.db2.gz GPFWDBDFGQJTIL-UHFFFAOYSA-N -2 3 288.307 1.331 20 0 CDADHL C[C@@H](COc1nc(=O)[n-]c(=O)[n-]1)OCc1ccccc1 ZINC001227571497 942190785 /nfs/dbraw/zinc/19/07/85/942190785.db2.gz UYAASSRIVOYGIY-VIFPVBQESA-N -2 3 277.280 1.267 20 0 CDADHL COC(=O)c1cnc(=O)[n-]c1O[C@H](C)C1=CC=C[CH]1 ZINC001229872676 942547093 /nfs/dbraw/zinc/54/70/93/942547093.db2.gz MMTTUOKMTOPIMB-MRVPVSSYSA-N -2 3 261.257 1.437 20 0 CDADHL COc1cccc([C@H](C)Oc2[n-]c(=O)nc3cn[n-]c32)c1 ZINC001233939712 943696715 /nfs/dbraw/zinc/69/67/15/943696715.db2.gz MWRVWBPGMGUMPT-QMMMGPOBSA-N -2 3 286.291 1.795 20 0 CDADHL C[C@@H]1c2cnccc2C[C@@H]1Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233943302 943696792 /nfs/dbraw/zinc/69/67/92/943696792.db2.gz IBNTVDOBZXJHOT-HQJQHLMTSA-N -2 3 283.291 1.148 20 0 CDADHL O=S(=O)([N-]c1cc([O-])c(F)cc1F)c1ccccn1 ZINC001259287983 945545362 /nfs/dbraw/zinc/54/53/62/945545362.db2.gz RZPYKELNEDFAIT-UHFFFAOYSA-N -2 3 286.259 1.866 20 0 CDADHL O=C([O-])c1cncc(-c2ccc(-c3nnn[n-]3)c(F)c2)c1 ZINC001241804362 946479010 /nfs/dbraw/zinc/47/90/10/946479010.db2.gz PUQWCDLKRJDYKX-UHFFFAOYSA-N -2 3 285.238 1.766 20 0 CDADHL O=C([O-])c1cncc(-c2ccc(-c3nn[n-]n3)c(F)c2)c1 ZINC001241804362 946479015 /nfs/dbraw/zinc/47/90/15/946479015.db2.gz PUQWCDLKRJDYKX-UHFFFAOYSA-N -2 3 285.238 1.766 20 0 CDADHL O=C([O-])C[C@@H]1CC[C@H](NC(=O)c2c([O-])cccc2O)C1 ZINC000381077769 971737187 /nfs/dbraw/zinc/73/71/87/971737187.db2.gz WBXQKPITRQOOAS-BDAKNGLRSA-N -2 3 279.292 1.471 20 0 CDADHL O=C([O-])C1CN(C(=O)c2cc3sccc3c([O-])c2)C1 ZINC001594948360 954937748 /nfs/dbraw/zinc/93/77/48/954937748.db2.gz AQXPZBFMKIETGB-UHFFFAOYSA-N -2 3 277.301 1.764 20 0 CDADHL O=C(NCc1nc([O-])cc(=O)[nH]1)c1c([O-])cccc1Cl ZINC001363482673 972198552 /nfs/dbraw/zinc/19/85/52/972198552.db2.gz AVWFJLRTAJAYEO-UHFFFAOYSA-N -2 3 295.682 1.177 20 0 CDADHL C[C@H]1CN(C(=O)c2ccccc2[O-])CCN1CCC(=O)[O-] ZINC001571045364 960621017 /nfs/dbraw/zinc/62/10/17/960621017.db2.gz QNMAGBBBXWRBLR-NSHDSACASA-N -2 3 292.335 1.013 20 0 CDADHL CCc1ccc(C(=O)NC[C@H](C)C(=O)[O-])c([O-])c1 ZINC001573954971 961668725 /nfs/dbraw/zinc/66/87/25/961668725.db2.gz TVYMJKMOAIKQRA-QMMMGPOBSA-N -2 3 251.282 1.405 20 0 CDADHL CC(C)c1ncc(C(=O)[N-]c2ncn(CC(=O)[O-])n2)s1 ZINC001588975263 962689678 /nfs/dbraw/zinc/68/96/78/962689678.db2.gz QPIKDOFAQFASRQ-UHFFFAOYSA-N -2 3 295.324 1.195 20 0 CDADHL O=C([O-])CC1(C(=O)[N-]OCCC(F)(F)F)CCOCC1 ZINC001606071667 973218143 /nfs/dbraw/zinc/21/81/43/973218143.db2.gz MPNRBWZMPPMFAN-UHFFFAOYSA-N -2 3 299.245 1.258 20 0 CDADHL C[C@H](CC(=O)[O-])C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001592346383 977819011 /nfs/dbraw/zinc/81/90/11/977819011.db2.gz WPEZLGXAVVUKSV-UHNVWZDZSA-N -2 3 294.233 1.112 20 0 CDADHL CC[C@@H](C)n1ncc([N-]S(=O)(=O)CCC(=O)[O-])c1C ZINC001595026721 979137229 /nfs/dbraw/zinc/13/72/29/979137229.db2.gz KZUIATNFRIFMGH-MRVPVSSYSA-N -2 3 289.357 1.379 20 0 CDADHL CC(=O)c1cccc(NC(=O)[C@H](C)CC(=O)[O-])c1[O-] ZINC001589310103 986084508 /nfs/dbraw/zinc/08/45/08/986084508.db2.gz YPHFSQMQKWSKKL-SSDOTTSWSA-N -2 3 265.265 1.644 20 0 CDADHL CC(=O)c1cccc(NC(=O)CCCC(=O)[O-])c1[O-] ZINC001589311753 986100338 /nfs/dbraw/zinc/10/03/38/986100338.db2.gz WPVZYHPXWXPXPC-UHFFFAOYSA-N -2 3 265.265 1.788 20 0 CDADHL CCc1ccc(C(=O)NC2(C(=O)[O-])CCOCC2)c([O-])c1 ZINC001597500795 988057790 /nfs/dbraw/zinc/05/77/90/988057790.db2.gz WAODWPXBXIYSEL-UHFFFAOYSA-N -2 3 293.319 1.318 20 0 CDADHL CCc1ccc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])c([O-])c1 ZINC001597500824 988059494 /nfs/dbraw/zinc/05/94/94/988059494.db2.gz XOJAGYFUHQGBRF-NSHDSACASA-N -2 3 293.319 1.270 20 0 CDADHL CCc1[n-]nc(Cl)c1C(=O)NOCCCC(=O)[O-] ZINC001597644704 988656956 /nfs/dbraw/zinc/65/69/56/988656956.db2.gz SKIXKWYBSZAXRN-UHFFFAOYSA-N -2 3 275.692 1.152 20 0 CDADHL CCc1n[n-]c(Cl)c1C(=O)NOCCCC(=O)[O-] ZINC001597644704 988656959 /nfs/dbraw/zinc/65/69/59/988656959.db2.gz SKIXKWYBSZAXRN-UHFFFAOYSA-N -2 3 275.692 1.152 20 0 CDADHL CC[C@@](C)(C[N-]S(=O)(=O)c1occc1C(=O)[O-])OC ZINC001604907081 1163376743 /nfs/dbraw/zinc/37/67/43/1163376743.db2.gz UJPSIHQABMJSRO-NSHDSACASA-N -2 3 291.325 1.071 20 0 CDADHL CC[C@H](CNC(=O)c1ccc(C(C)=O)c([O-])c1)C(=O)[O-] ZINC001605038503 1163426894 /nfs/dbraw/zinc/42/68/94/1163426894.db2.gz YZQLVZLXYIQXFQ-SECBINFHSA-N -2 3 279.292 1.435 20 0 CDADHL COC(=O)c1cc(C(=O)O[C@@H]2CCCC[C@@H]2C(=O)[O-])c[n-]1 ZINC001598926256 997654178 /nfs/dbraw/zinc/65/41/78/997654178.db2.gz JSBHZWAFDXAJKB-GXSJLCMTSA-N -2 3 295.291 1.602 20 0 CDADHL CCOC(=O)c1cnc(NC(=O)c2cc(F)ccc2[O-])[n-]1 ZINC000585682946 342453342 /nfs/dbraw/zinc/45/33/42/342453342.db2.gz ZDQMRIYFORNSTP-UHFFFAOYSA-N -2 3 293.254 1.683 20 0 CDADHL CCOC(=O)c1c[n-]c(NC(=O)c2cc(F)ccc2[O-])n1 ZINC000585682946 342453343 /nfs/dbraw/zinc/45/33/43/342453343.db2.gz ZDQMRIYFORNSTP-UHFFFAOYSA-N -2 3 293.254 1.683 20 0 CDADHL CC(C)(NC(=O)c1cc([O-])c2ccccc2c1)c1nnn[n-]1 ZINC000350003154 539080193 /nfs/dbraw/zinc/08/01/93/539080193.db2.gz LXCRRQHHZRGIFS-UHFFFAOYSA-N -2 3 297.318 1.724 20 0 CDADHL CC(C)(NC(=O)c1cc([O-])c2ccccc2c1)c1nn[n-]n1 ZINC000350003154 539080194 /nfs/dbraw/zinc/08/01/94/539080194.db2.gz LXCRRQHHZRGIFS-UHFFFAOYSA-N -2 3 297.318 1.724 20 0 CDADHL COc1ccc([O-])c(C(=O)NCC2(C(=O)[O-])CCCC2)c1 ZINC000165334252 539126603 /nfs/dbraw/zinc/12/66/03/539126603.db2.gz HYVGJKKJCOEPNG-UHFFFAOYSA-N -2 3 293.319 1.776 20 0 CDADHL C[C@H](C[N-]S(=O)(=O)c1ccccc1F)CC(=O)[O-] ZINC000147320341 362417750 /nfs/dbraw/zinc/41/77/50/362417750.db2.gz KNJCGIRNTXUFJY-QMMMGPOBSA-N -2 3 275.301 1.215 20 0 CDADHL O=C(c1c([O-])cccc1F)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000163376928 358496082 /nfs/dbraw/zinc/49/60/82/358496082.db2.gz FWLPDRYNCYQQCV-QMMMGPOBSA-N -2 3 291.286 1.064 20 0 CDADHL O=C(c1c([O-])cccc1F)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000163376928 358496086 /nfs/dbraw/zinc/49/60/86/358496086.db2.gz FWLPDRYNCYQQCV-QMMMGPOBSA-N -2 3 291.286 1.064 20 0 CDADHL O=C([O-])CCC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000036176107 356863902 /nfs/dbraw/zinc/86/39/02/356863902.db2.gz NJHIFCWDTAYHMX-UHFFFAOYSA-N -2 3 279.264 1.108 20 0 CDADHL COc1ccc(NC(=O)c2cncc([O-])c2)c([O-])c1 ZINC000135416805 538883426 /nfs/dbraw/zinc/88/34/26/538883426.db2.gz YKYXNSWWSNJREH-UHFFFAOYSA-N -2 3 260.249 1.754 20 0 CDADHL COc1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1[O-] ZINC000019422539 358059260 /nfs/dbraw/zinc/05/92/60/358059260.db2.gz BLRCSYVYXNNQOY-SNVBAGLBSA-N -2 3 279.292 1.480 20 0 CDADHL COc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1 ZINC000263109305 370507785 /nfs/dbraw/zinc/50/77/85/370507785.db2.gz BPEHUHCPEMJMHI-NXEZZACHSA-N -2 3 293.319 1.584 20 0 CDADHL CC1([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)CCC1 ZINC000167979358 371534598 /nfs/dbraw/zinc/53/45/98/371534598.db2.gz CKDLDEOIWSGCRO-UHFFFAOYSA-N -2 3 275.351 1.667 20 0 CDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccco1)c1ccccc1F ZINC000573774354 371652941 /nfs/dbraw/zinc/65/29/41/371652941.db2.gz FTKDOCYEYSFOPV-NSHDSACASA-N -2 3 299.279 1.523 20 0 CDADHL C[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000169109400 372072222 /nfs/dbraw/zinc/07/22/22/372072222.db2.gz PFLYRZVOQMXDCQ-APPZFPTMSA-N -2 3 287.312 1.458 20 0 CDADHL C[C@@H](CCC1CC1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000398407795 373697772 /nfs/dbraw/zinc/69/77/72/373697772.db2.gz KTIMQJCHMVVSEJ-QMMMGPOBSA-N -2 3 287.337 1.835 20 0 CDADHL Cc1ncc(CN=c2nc(C(F)(F)F)[n-]s2)c(=O)[n-]1 ZINC000342844364 374620658 /nfs/dbraw/zinc/62/06/58/374620658.db2.gz UYFUOOHGCYOKFT-UHFFFAOYSA-N -2 3 291.258 1.395 20 0 CDADHL CCc1ccc(C(=O)NCCCc2cc(=O)[nH][n-]2)c([O-])c1 ZINC000647718553 391502466 /nfs/dbraw/zinc/50/24/66/391502466.db2.gz LHUXREOOSMYDHC-UHFFFAOYSA-N -2 3 289.335 1.341 20 0 CDADHL O=S(=O)([N-]c1ccc(-c2nnn[n-]2)cc1)c1ccco1 ZINC000372466268 160122959 /nfs/dbraw/zinc/12/29/59/160122959.db2.gz ZBGYFHHIYYJVTG-UHFFFAOYSA-N -2 3 291.292 1.261 20 0 CDADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1ccco1 ZINC000372466268 160122961 /nfs/dbraw/zinc/12/29/61/160122961.db2.gz ZBGYFHHIYYJVTG-UHFFFAOYSA-N -2 3 291.292 1.261 20 0 CDADHL C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000037254942 173066007 /nfs/dbraw/zinc/06/60/07/173066007.db2.gz QZFNRAKBUYYAAH-IUCAKERBSA-N -2 3 287.337 1.835 20 0 CDADHL O=C([O-])C1CCC(NC(=O)c2ccccc2[O-])CC1 ZINC000037561211 173271149 /nfs/dbraw/zinc/27/11/49/173271149.db2.gz DGLSYMOZUUCZJS-UHFFFAOYSA-N -2 3 263.293 1.765 20 0 CDADHL CC(C)[C@H](CNc1ccc(-c2nnn[n-]2)cn1)C(=O)[O-] ZINC001589457285 1173146928 /nfs/dbraw/zinc/14/69/28/1173146928.db2.gz REQPBSCHLUUEBK-VIFPVBQESA-N -2 3 276.300 1.030 20 0 CDADHL CC(C)[C@H](CNc1ccc(-c2nn[n-]n2)cn1)C(=O)[O-] ZINC001589457285 1173146930 /nfs/dbraw/zinc/14/69/30/1173146930.db2.gz REQPBSCHLUUEBK-VIFPVBQESA-N -2 3 276.300 1.030 20 0 CDADHL CCc1ccc([O-])c(C(=O)NC[C@@H](C)C(=O)[O-])c1 ZINC000655558240 423971246 /nfs/dbraw/zinc/97/12/46/423971246.db2.gz FUOXQYQNCLXYFR-MRVPVSSYSA-N -2 3 251.282 1.405 20 0 CDADHL CC[C@H](CNc1nccc(C)c1-c1nnn[n-]1)C(=O)[O-] ZINC001590446204 1173410966 /nfs/dbraw/zinc/41/09/66/1173410966.db2.gz PXEDYWJTXQQGMX-MRVPVSSYSA-N -2 3 276.300 1.093 20 0 CDADHL CC[C@H](CNc1nccc(C)c1-c1nn[n-]n1)C(=O)[O-] ZINC001590446204 1173410968 /nfs/dbraw/zinc/41/09/68/1173410968.db2.gz PXEDYWJTXQQGMX-MRVPVSSYSA-N -2 3 276.300 1.093 20 0 CDADHL O=C(N=c1cc2ccccn2[n-]1)C(=O)c1ccc([O-])cc1 ZINC000557532249 290351082 /nfs/dbraw/zinc/35/10/82/290351082.db2.gz XQPUBBRPDQSQKY-UHFFFAOYSA-N -2 3 281.271 1.283 20 0 CDADHL Cc1cc(=O)[n-]c([C@H](C)N2CC[C@@H](C(=O)[O-])[C@H]2C)n1 ZINC000568523255 294054151 /nfs/dbraw/zinc/05/41/51/294054151.db2.gz YISCUACCQJORHB-KXUCPTDWSA-N -2 3 265.313 1.347 20 0 CDADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C ZINC000262418501 301993046 /nfs/dbraw/zinc/99/30/46/301993046.db2.gz MSXUYXNEBIDKBS-JTQLQIEISA-N -2 3 289.328 1.522 20 0 CDADHL CCc1cc(=O)[n-]c(CN(C)[C@H](C)CC(=O)[O-])n1 ZINC000578787932 324027569 /nfs/dbraw/zinc/02/75/69/324027569.db2.gz DWRNZTDSNIFBJH-MRVPVSSYSA-N -2 3 253.302 1.040 20 0 CDADHL CCSCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000582963338 325078409 /nfs/dbraw/zinc/07/84/09/325078409.db2.gz WJGWUPRYTDJICL-UHFFFAOYSA-N -2 3 293.366 1.399 20 0 CDADHL CCC[C@@H](CC)S(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-] ZINC000582967247 325079716 /nfs/dbraw/zinc/07/97/16/325079716.db2.gz CVURBPOJWYUAJO-MRVPVSSYSA-N -2 3 289.357 1.439 20 0 CDADHL COc1cc(Nc2cc(=O)[n-]c(C)n2)ccc1C(=O)[O-] ZINC000227179167 1160563919 /nfs/dbraw/zinc/56/39/19/1160563919.db2.gz VJEPMEHZJDQKQX-UHFFFAOYSA-N -2 3 275.264 1.941 20 0 CDADHL O=C([O-])c1cnc(C=Cc2cccc3c2OCO3)[n-]c1=O ZINC000670370017 482844735 /nfs/dbraw/zinc/84/47/35/482844735.db2.gz QRLUUJJQYNVQQZ-PLNGDYQASA-N -2 3 286.243 1.780 20 0 CDADHL COc1ccc([O-])c(C(=O)N[C@H]2CCC[C@@]2(C)C(=O)[O-])c1 ZINC000164603926 483319532 /nfs/dbraw/zinc/31/95/32/483319532.db2.gz SVXNEHSDYYJYBF-SWLSCSKDSA-N -2 3 293.319 1.774 20 0 CDADHL Cc1noc(C)c1S(=O)(=O)[N-]CCCCCC(=O)[O-] ZINC000020254866 526552389 /nfs/dbraw/zinc/55/23/89/526552389.db2.gz SFSDPSDZCZBLTM-UHFFFAOYSA-N -2 3 290.341 1.215 20 0 CDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)C1CC1 ZINC000054504927 527655505 /nfs/dbraw/zinc/65/55/05/527655505.db2.gz BCSSEPYCFODIEY-JTQLQIEISA-N -2 3 291.275 1.106 20 0 CDADHL Cc1nc(CCCC(=O)[N-]OCCCC(=O)[O-])cs1 ZINC001600699041 1174570954 /nfs/dbraw/zinc/57/09/54/1174570954.db2.gz JQMIMIRYLILTKI-UHFFFAOYSA-N -2 3 286.353 1.687 20 0 CDADHL CN(CCC(=O)[O-])C(=O)c1ccc2c(c1[O-])OC(C)(C)C2 ZINC000737991431 574437853 /nfs/dbraw/zinc/43/78/53/574437853.db2.gz HDBNGGGCXJKHHR-UHFFFAOYSA-N -2 3 293.319 1.652 20 0 CDADHL Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)[O-])[n-]n2)o1 ZINC000738248039 576053233 /nfs/dbraw/zinc/05/32/33/576053233.db2.gz BYWQWKDRYADGRW-ZETCQYMHSA-N -2 3 264.237 1.608 20 0 CDADHL Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)[O-])n[n-]2)o1 ZINC000738248039 576053234 /nfs/dbraw/zinc/05/32/34/576053234.db2.gz BYWQWKDRYADGRW-ZETCQYMHSA-N -2 3 264.237 1.608 20 0 CDADHL Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)c([O-])c1 ZINC000738514450 576085461 /nfs/dbraw/zinc/08/54/61/576085461.db2.gz DARXWAVOAFVXJD-SNVBAGLBSA-N -2 3 278.308 1.573 20 0 CDADHL O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1n[n-]c(-c2cccs2)n1 ZINC000739552631 576252539 /nfs/dbraw/zinc/25/25/39/576252539.db2.gz JHGTWNAYOHFINT-WDSKDSINSA-N -2 3 278.293 1.192 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)Cc1cnc2ccccc2c1 ZINC001601995990 1175105592 /nfs/dbraw/zinc/10/55/92/1175105592.db2.gz XZHFBAYAIOFEQL-UHFFFAOYSA-N -2 3 288.303 1.690 20 0 CDADHL O=C([O-])c1sccc1[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000063155388 600176894 /nfs/dbraw/zinc/17/68/94/600176894.db2.gz ZQIHEDYTQZPCHT-ZETCQYMHSA-N -2 3 291.350 1.367 20 0 CDADHL O=C([O-])c1ccc(CCC(=O)Nc2ccncc2[O-])cc1 ZINC000833102023 601383660 /nfs/dbraw/zinc/38/36/60/601383660.db2.gz KLXJZZKSPJLPBH-UHFFFAOYSA-N -2 3 286.287 1.479 20 0 CDADHL COCCC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000397986706 601393321 /nfs/dbraw/zinc/39/33/21/601393321.db2.gz KNEIMZUUOMUCGS-UHFFFAOYSA-N -2 3 291.325 1.071 20 0 CDADHL CC(C)([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C1CC1 ZINC000694188653 605206137 /nfs/dbraw/zinc/20/61/37/605206137.db2.gz IEUOKAGKTPGNDL-UHFFFAOYSA-N -2 3 273.310 1.445 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H]1CCCC2(CC2)C1 ZINC000903545825 626017216 /nfs/dbraw/zinc/01/72/16/626017216.db2.gz BUFAZGJBQVYXBW-SECBINFHSA-N -2 3 299.348 1.979 20 0 CDADHL CCC[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000908009091 627969856 /nfs/dbraw/zinc/96/98/56/627969856.db2.gz UZQRPWOWGKKCKM-SNVBAGLBSA-N -2 3 269.272 1.443 20 0 CDADHL O=C([O-])CCCNC(=O)Cc1ccc([O-])c(F)c1 ZINC000908623946 628299434 /nfs/dbraw/zinc/29/94/34/628299434.db2.gz JECCDRGZTGKRRM-UHFFFAOYSA-N -2 3 255.245 1.055 20 0 CDADHL C/C=C/C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909048417 628490422 /nfs/dbraw/zinc/49/04/22/628490422.db2.gz LMHTVSYKBRDMMJ-VUDBWIFFSA-N -2 3 296.298 1.750 20 0 CDADHL C[C@H](CC(=O)[O-])NC(=O)Cc1ccc([O-])c(F)c1 ZINC000909094425 628510817 /nfs/dbraw/zinc/51/08/17/628510817.db2.gz TUHJGBGRORCNTP-SSDOTTSWSA-N -2 3 255.245 1.053 20 0 CDADHL CC[C@@H](C(=O)[O-])C(=O)NCc1ccc([O-])c(F)c1 ZINC000909922266 628775556 /nfs/dbraw/zinc/77/55/56/628775556.db2.gz FKJGKNBBTKIYEF-MRVPVSSYSA-N -2 3 255.245 1.258 20 0 CDADHL O=C(Cc1ccc([O-])c(F)c1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000909996543 628806709 /nfs/dbraw/zinc/80/67/09/628806709.db2.gz DMBFBNJUOXFKOT-KYZUINATSA-N -2 3 267.256 1.053 20 0 CDADHL O=C([O-])[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)CC1CC1 ZINC001606959955 1164038435 /nfs/dbraw/zinc/03/84/35/1164038435.db2.gz NWNCXEFBQGRUNU-SECBINFHSA-N -2 3 288.311 1.175 20 0 CDADHL O=C([O-])[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)CC1CC1 ZINC001606959955 1164038438 /nfs/dbraw/zinc/03/84/38/1164038438.db2.gz NWNCXEFBQGRUNU-SECBINFHSA-N -2 3 288.311 1.175 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)C2(C)CC2)oc1C(=O)[O-] ZINC001607705374 1164276708 /nfs/dbraw/zinc/27/67/08/1164276708.db2.gz LTNFFKKGQJMXPA-QMMMGPOBSA-N -2 3 287.337 1.753 20 0 CDADHL O=C([O-])c1cccc(OCCSCCc2nnn[n-]2)c1 ZINC001608937407 1164690234 /nfs/dbraw/zinc/69/02/34/1164690234.db2.gz VQYYLARTFUOEFQ-UHFFFAOYSA-N -2 3 294.336 1.253 20 0 CDADHL O=C([O-])c1cccc(OCCSCCc2nn[n-]n2)c1 ZINC001608937407 1164690238 /nfs/dbraw/zinc/69/02/38/1164690238.db2.gz VQYYLARTFUOEFQ-UHFFFAOYSA-N -2 3 294.336 1.253 20 0 CDADHL O=C([O-])CNc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001609572454 1164991120 /nfs/dbraw/zinc/99/11/20/1164991120.db2.gz YJBUPSACZMZXRT-UHFFFAOYSA-N -2 3 287.201 1.382 20 0 CDADHL O=C([O-])CNc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001609572454 1164991127 /nfs/dbraw/zinc/99/11/27/1164991127.db2.gz YJBUPSACZMZXRT-UHFFFAOYSA-N -2 3 287.201 1.382 20 0 CDADHL CCc1ccc(C(=O)N[C@](C)(COC)C(=O)[O-])c([O-])c1 ZINC001610060370 1167986222 /nfs/dbraw/zinc/98/62/22/1167986222.db2.gz PMVJBQJIVMHJPG-CQSZACIVSA-N -2 3 281.308 1.174 20 0 CDADHL CC[C@@H](C(=O)[O-])N(C)c1ccc(F)cc1-c1nnn[n-]1 ZINC001590370987 1173376162 /nfs/dbraw/zinc/37/61/62/1173376162.db2.gz OBZFLNZJDZJRDU-VIFPVBQESA-N -2 3 279.275 1.305 20 0 CDADHL CC[C@@H](C(=O)[O-])N(C)c1ccc(F)cc1-c1nn[n-]n1 ZINC001590370987 1173376171 /nfs/dbraw/zinc/37/61/71/1173376171.db2.gz OBZFLNZJDZJRDU-VIFPVBQESA-N -2 3 279.275 1.305 20 0 CDADHL CC[C@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)C(=O)[O-] ZINC001590446501 1173412172 /nfs/dbraw/zinc/41/21/72/1173412172.db2.gz SZAPJJNDHLROOX-ZCFIWIBFSA-N -2 3 296.718 1.438 20 0 CDADHL CC[C@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)C(=O)[O-] ZINC001590446501 1173412175 /nfs/dbraw/zinc/41/21/75/1173412175.db2.gz SZAPJJNDHLROOX-ZCFIWIBFSA-N -2 3 296.718 1.438 20 0 CDADHL CCCCc1[n-]n(-c2ccc(-c3nnn[n-]3)cn2)c(=O)c1C ZINC001590583225 1173467880 /nfs/dbraw/zinc/46/78/80/1173467880.db2.gz UFWNAQKQXKVFEX-VIFPVBQESA-N -2 3 299.338 1.791 20 0 CDADHL CCCCc1[n-]n(-c2ccc(-c3nn[n-]n3)cn2)c(=O)c1C ZINC001590583225 1173467882 /nfs/dbraw/zinc/46/78/82/1173467882.db2.gz UFWNAQKQXKVFEX-VIFPVBQESA-N -2 3 299.338 1.791 20 0 CDADHL Cc1cc(-c2nnn[n-]2)cc(NCCCCCC(=O)[O-])n1 ZINC001591858411 1173723100 /nfs/dbraw/zinc/72/31/00/1173723100.db2.gz PSNPNZCZOBYWNZ-UHFFFAOYSA-N -2 3 290.327 1.627 20 0 CDADHL Cc1cc(-c2nn[n-]n2)cc(NCCCCCC(=O)[O-])n1 ZINC001591858411 1173723107 /nfs/dbraw/zinc/72/31/07/1173723107.db2.gz PSNPNZCZOBYWNZ-UHFFFAOYSA-N -2 3 290.327 1.627 20 0 CDADHL O=C([O-])[C@H]1C[C@H](Nc2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC001593278950 1174048991 /nfs/dbraw/zinc/04/89/91/1174048991.db2.gz IJWVNVYKVKSSEC-FKQCQYRASA-N -2 3 293.714 1.795 20 0 CDADHL Cc1ccc(-c2nc(NC(=O)CCCC(=O)[O-])n[n-]2)o1 ZINC001600320389 1174442904 /nfs/dbraw/zinc/44/29/04/1174442904.db2.gz ZQKNQNIHGZZMOS-UHFFFAOYSA-N -2 3 278.268 1.567 20 0 CDADHL O=C([O-])[C@H](CNc1cc(=O)[n-]cn1)Cc1ccccc1 ZINC001601655136 1174932327 /nfs/dbraw/zinc/93/23/27/1174932327.db2.gz JMJJVQDYUCAHSA-NSHDSACASA-N -2 3 273.292 1.538 20 0 CDADHL O=C([O-])c1cc(F)cc(C(=O)Nc2ncccc2[O-])c1 ZINC001602271242 1175190517 /nfs/dbraw/zinc/19/05/17/1175190517.db2.gz RHCPAADHCYWUQA-UHFFFAOYSA-N -2 3 276.223 1.877 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]C23CCC(CC2)CC3)c1 ZINC001602556671 1175295635 /nfs/dbraw/zinc/29/56/35/1175295635.db2.gz KYHXMSIWLBKQNF-UHFFFAOYSA-N -2 3 299.348 1.979 20 0 CDADHL CC(=O)c1cccc(NC(=O)CCSCC(=O)[O-])c1[O-] ZINC001603118389 1175494407 /nfs/dbraw/zinc/49/44/07/1175494407.db2.gz LLJLUVRZQYTTPB-UHFFFAOYSA-N -2 3 297.332 1.741 20 0 CDADHL C[C@H](CC(=O)[N-]OCCCC(=O)[O-])[C@H]1CCCO1 ZINC001604068112 1175746208 /nfs/dbraw/zinc/74/62/08/1175746208.db2.gz KJFRTHAXHZYGGJ-NXEZZACHSA-N -2 3 259.302 1.104 20 0 CDADHL CCc1c(C)[n-]n(-c2ccc(-c3nnn[n-]3)cn2)c1=O ZINC001604096858 1175757776 /nfs/dbraw/zinc/75/77/76/1175757776.db2.gz KIFYDLQQXNKJHP-SECBINFHSA-N -2 3 271.284 1.010 20 0 CDADHL CCc1c(C)[n-]n(-c2ccc(-c3nn[n-]n3)cn2)c1=O ZINC001604096858 1175757781 /nfs/dbraw/zinc/75/77/81/1175757781.db2.gz KIFYDLQQXNKJHP-SECBINFHSA-N -2 3 271.284 1.010 20 0 CDADHL COC(=O)c1ccc(C(=O)Nc2cc(C(=O)[O-])cs2)[n-]1 ZINC001606573855 1163930347 /nfs/dbraw/zinc/93/03/47/1163930347.db2.gz BHNOLRRGNKVBAS-UHFFFAOYSA-N -2 3 294.288 1.813 20 0 CDADHL Cc1nc[n-]c(=O)c1CCC(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC001607975375 1164357333 /nfs/dbraw/zinc/35/73/33/1164357333.db2.gz CDZVKDJNLIUNNV-LLVKDONJSA-N -2 3 295.339 1.039 20 0 CDADHL C[C@H]([N-]S(=O)(=O)c1occc1C(=O)[O-])C1CCC1 ZINC000871994644 745280690 /nfs/dbraw/zinc/28/06/90/745280690.db2.gz ZMYJVEZSLIQKOE-ZETCQYMHSA-N -2 3 273.310 1.445 20 0 CDADHL CC[C@H](C[N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000087498402 745542853 /nfs/dbraw/zinc/54/28/53/745542853.db2.gz NIQIWVYSKZMXRS-SSDOTTSWSA-N -2 3 292.744 1.124 20 0 CDADHL CC(C)CO[N-]C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000816953266 746895519 /nfs/dbraw/zinc/89/55/19/746895519.db2.gz CJMMVULIRLWZPR-UHFFFAOYSA-N -2 3 251.286 1.377 20 0 CDADHL O=C(c1cccc(F)c1[O-])N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000935036435 747038128 /nfs/dbraw/zinc/03/81/28/747038128.db2.gz COTSNDXWYWSIMC-MRVPVSSYSA-N -2 3 291.286 1.064 20 0 CDADHL C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1cc([O-])ccc1Cl ZINC000235634217 747694833 /nfs/dbraw/zinc/69/48/33/747694833.db2.gz QXHKYHXWHHUBRO-IONNQARKSA-N -2 3 283.711 1.981 20 0 CDADHL O=C([N-][N-]S(=O)(=O)c1ccccc1F)C1CCCC1 ZINC000029048720 749233297 /nfs/dbraw/zinc/23/32/97/749233297.db2.gz VMWMLDITLSKJQG-UHFFFAOYSA-N -2 3 286.328 1.325 20 0 CDADHL C/C=C(C)/C=C/C(=O)NCCCCP(=O)([O-])[O-] ZINC001178511282 915469907 /nfs/dbraw/zinc/46/99/07/915469907.db2.gz BJBJONRWSNPQLB-RAMOOHJPSA-N -2 3 261.258 1.583 20 0 CDADHL C[C@H]1C[C@H]([N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-])CCO1 ZINC001180176888 916174054 /nfs/dbraw/zinc/17/40/54/916174054.db2.gz QMGNYOPXZNXJSZ-NTSWFWBYSA-N -2 3 287.209 1.025 20 0 CDADHL Cc1ccc(NC(=O)NCCP(=O)([O-])[O-])cc1C ZINC001202833031 936540321 /nfs/dbraw/zinc/54/03/21/936540321.db2.gz PHPJHWSODIWLEE-UHFFFAOYSA-N -2 3 272.241 1.603 20 0 CDADHL CCCCCCOC(=O)NCCP(=O)([O-])[O-] ZINC001194195768 924113770 /nfs/dbraw/zinc/11/37/70/924113770.db2.gz SVSNFCCPZRFQIK-UHFFFAOYSA-N -2 3 253.235 1.471 20 0 CDADHL CCc1cnccc1C(=O)NCCCCP(=O)([O-])[O-] ZINC001196147816 924820422 /nfs/dbraw/zinc/82/04/22/924820422.db2.gz RCSWCUZRYHYELU-UHFFFAOYSA-N -2 3 286.268 1.332 20 0 CDADHL Cc1ccccc1NC(=S)NCCP(=O)([O-])[O-] ZINC001198442777 925435986 /nfs/dbraw/zinc/43/59/86/925435986.db2.gz MADXNEWDAPZGHR-UHFFFAOYSA-N -2 3 274.282 1.459 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]c2cncc([O-])c2)cc1N ZINC001201640011 926357376 /nfs/dbraw/zinc/35/73/76/926357376.db2.gz YWBMMOOJSBJWHT-UHFFFAOYSA-N -2 3 279.321 1.479 20 0 CDADHL Nc1cc(F)ccc1S(=O)(=O)[N-]c1cncc([O-])c1 ZINC001201646307 926369852 /nfs/dbraw/zinc/36/98/52/926369852.db2.gz BDEXTUKOZPFERF-UHFFFAOYSA-N -2 3 283.284 1.309 20 0 CDADHL COc1ccc(-c2nn[n-]n2)cc1NCc1cc(=O)[n-]o1 ZINC001169492989 928107461 /nfs/dbraw/zinc/10/74/61/928107461.db2.gz RBYIPVWRGSRLOF-UHFFFAOYSA-N -2 3 288.267 1.181 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1ncn2ccccc12 ZINC001153044176 937413875 /nfs/dbraw/zinc/41/38/75/937413875.db2.gz FDDDYWGUIJJVIK-UHFFFAOYSA-N -2 3 297.251 1.022 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1ccc2c(c1)OCC2 ZINC001153362399 937443356 /nfs/dbraw/zinc/44/33/56/937443356.db2.gz VLYNYUIOSBYOEW-UHFFFAOYSA-N -2 3 299.263 1.309 20 0 CDADHL Cc1ccc(C(=O)NCCCCP(=O)([O-])[O-])cn1 ZINC001147168623 932432450 /nfs/dbraw/zinc/43/24/50/932432450.db2.gz OXEWNKHEJNQGNO-UHFFFAOYSA-N -2 3 272.241 1.078 20 0 CDADHL CC1(C)OC[C@H](COc2nc3ncnc-3c([S-])[n-]2)O1 ZINC001226780707 942067887 /nfs/dbraw/zinc/06/78/87/942067887.db2.gz SLGOMDPTIZURED-LURJTMIESA-N -2 3 282.325 1.172 20 0 CDADHL CC[C@H](C)Oc1[n-]c(=O)nc2nc(Br)[n-]c21 ZINC001227594481 942191961 /nfs/dbraw/zinc/19/19/61/942191961.db2.gz NIGJNWPCFCALBJ-BYPYZUCNSA-N -2 3 287.117 1.998 20 0 CDADHL C[C@H]1C[C@@H](Oc2nc(=O)[n-]c(=O)[n-]2)CC(C)(C)C1 ZINC001227569228 942190721 /nfs/dbraw/zinc/19/07/21/942190721.db2.gz VWADNNGZZIMZOM-JGVFFNPUSA-N -2 3 253.302 1.876 20 0 CDADHL O=c1nc2cn[n-]c2c(OC[C@@H]2CCc3ccccc3O2)[n-]1 ZINC001233934009 943693293 /nfs/dbraw/zinc/69/32/93/943693293.db2.gz GAYMGHIQDFZGND-JTQLQIEISA-N -2 3 298.302 1.419 20 0 CDADHL C[C@H](CC(=O)[O-])Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000095224590 944619560 /nfs/dbraw/zinc/61/95/60/944619560.db2.gz FXUWVXVRSGDSDZ-ZCFIWIBFSA-N -2 3 281.703 1.795 20 0 CDADHL C[C@H](CC(=O)[O-])Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000095224590 944619556 /nfs/dbraw/zinc/61/95/56/944619556.db2.gz FXUWVXVRSGDSDZ-ZCFIWIBFSA-N -2 3 281.703 1.795 20 0 CDADHL COC(=O)c1sccc1S(=O)(=O)[N-]C1=CC=C[CH]1 ZINC001259015261 945466111 /nfs/dbraw/zinc/46/61/11/945466111.db2.gz VJCFJAWSWGNHAV-UHFFFAOYSA-N -2 3 284.338 1.471 20 0 CDADHL C[C@@H](C(=O)[O-])N(C(=O)c1ccc(O)cc1[O-])C1CC1 ZINC000382963963 951232079 /nfs/dbraw/zinc/23/20/79/951232079.db2.gz PNQUFABATYGQLJ-ZETCQYMHSA-N -2 3 265.265 1.176 20 0 CDADHL C[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000062868108 957613436 /nfs/dbraw/zinc/61/34/36/957613436.db2.gz HHFBHCFCAJOPDC-AWEZNQCLSA-N -2 3 279.292 1.425 20 0 CDADHL O=C([O-])[C@@H]1CN(C(=O)c2c([O-])cccc2O)C[C@H]1C1CC1 ZINC001574776980 957767239 /nfs/dbraw/zinc/76/72/39/957767239.db2.gz YFKZGTZKYIYUGU-VHSXEESVSA-N -2 3 291.303 1.281 20 0 CDADHL O=C([O-])c1n[nH]cc1NC(=O)c1nnc2ccccc2c1[O-] ZINC001574821648 957914000 /nfs/dbraw/zinc/91/40/00/957914000.db2.gz DBEQXQZLBPNGEN-UHFFFAOYSA-N -2 3 299.246 1.009 20 0 CDADHL Cc1noc(C(C)C)c1C(=O)[N-]c1ncn(CC(=O)[O-])n1 ZINC001594495546 959752277 /nfs/dbraw/zinc/75/22/77/959752277.db2.gz AFMXWDYKHAUQDU-UHFFFAOYSA-N -2 3 293.283 1.035 20 0 CDADHL Cc1cc(=O)[n-]c(CNC(=O)c2cccc(Cl)c2[O-])n1 ZINC001469724498 970268430 /nfs/dbraw/zinc/26/84/30/970268430.db2.gz NUYFIOWZZUVOQR-UHFFFAOYSA-N -2 3 293.710 1.780 20 0 CDADHL O=C([O-])C1=CC[C@@H]([N-]C(=O)C(F)(F)C(F)F)C1 ZINC000695026801 976770256 /nfs/dbraw/zinc/77/02/56/976770256.db2.gz YWVMTRZEIIBZBY-RXMQYKEDSA-N -2 3 255.167 1.176 20 0 CDADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C1(C)CC1 ZINC000706564411 977354091 /nfs/dbraw/zinc/35/40/91/977354091.db2.gz CVHHDGLWIDDFTR-SSDOTTSWSA-N -2 3 273.310 1.445 20 0 CDADHL Cc1cccc([O-])c1C(=O)NCC(C)(C)C(=O)[O-] ZINC000706588318 977354907 /nfs/dbraw/zinc/35/49/07/977354907.db2.gz MVCKWYGCOQDLEE-UHFFFAOYSA-N -2 3 251.282 1.541 20 0 CDADHL CC[C@H](C)CO[N-]C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC001594964642 982719696 /nfs/dbraw/zinc/71/96/96/982719696.db2.gz NWHUJCUEFUUBDO-GARJFASQSA-N -2 3 273.329 1.350 20 0 CDADHL CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(C)cc1[O-] ZINC001596875647 985721652 /nfs/dbraw/zinc/72/16/52/985721652.db2.gz IYYIVXCHGROCMG-NSHDSACASA-N -2 3 281.308 1.262 20 0 CDADHL C[C@@H]1CN(Cc2ccc(C(=O)[O-])[nH]2)CC[C@@H]1C(=O)[O-] ZINC001594538379 986168329 /nfs/dbraw/zinc/16/83/29/986168329.db2.gz NOOFCZRTHXSOIN-SCZZXKLOSA-N -2 3 266.297 1.256 20 0 CDADHL CCc1ccc(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001597501031 988063118 /nfs/dbraw/zinc/06/31/18/988063118.db2.gz LTOCYZMABGUDIU-WDEREUQCSA-N -2 3 277.320 1.938 20 0 CDADHL CC1(C)CC([N-]S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC001593859950 996653503 /nfs/dbraw/zinc/65/35/03/996653503.db2.gz QJNDETSXYQXUTQ-UHFFFAOYSA-N -2 3 290.366 1.308 20 0 CDADHL CC[C@@](C)(NC(=O)c1ccc(C(C)=O)c([O-])c1)C(=O)[O-] ZINC001594846679 1174189105 /nfs/dbraw/zinc/18/91/05/1174189105.db2.gz MAHDPZAIACQSLW-CQSZACIVSA-N -2 3 279.292 1.578 20 0 CDADHL C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)[C@H](C)C(=O)[O-] ZINC000133166330 342069799 /nfs/dbraw/zinc/06/97/99/342069799.db2.gz ZSNLUSWYMFWSER-WDSKDSINSA-N -2 3 297.785 1.789 20 0 CDADHL C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134708693 342071189 /nfs/dbraw/zinc/07/11/89/342071189.db2.gz GDYWVIDLNBSXND-RNFRBKRXSA-N -2 3 290.366 1.308 20 0 CDADHL Cc1ccc(F)c(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])c1 ZINC000137478520 361927900 /nfs/dbraw/zinc/92/79/00/361927900.db2.gz YSLPTKQTXLOACP-UHFFFAOYSA-N -2 3 289.328 1.523 20 0 CDADHL CC1(C)C[C@]1(C(=O)N=c1ccc([O-])n[n-]1)c1ccccc1 ZINC000622847196 342261242 /nfs/dbraw/zinc/26/12/42/342261242.db2.gz LPHDHTDXPYKILP-MRXNPFEDSA-N -2 3 283.331 1.911 20 0 CDADHL COc1ccsc1S(=O)(=O)[N-]C[C@H](C)CC(=O)[O-] ZINC000274997130 365885212 /nfs/dbraw/zinc/88/52/12/365885212.db2.gz LIQYPSBIBTXNHR-SSDOTTSWSA-N -2 3 293.366 1.146 20 0 CDADHL O=C([O-])CCCC[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000274989598 365881969 /nfs/dbraw/zinc/88/19/69/365881969.db2.gz YXMFPFVPABYCCU-UHFFFAOYSA-N -2 3 292.744 1.268 20 0 CDADHL O=C([O-])[C@@H]1C=C[C@@H]([N-]S(=O)(=O)c2cccs2)C1 ZINC000092182137 180339008 /nfs/dbraw/zinc/33/90/08/180339008.db2.gz ITIZDNJCHUOXDK-HTQZYQBOSA-N -2 3 273.335 1.056 20 0 CDADHL Cc1nc(C)c(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])s1 ZINC000275318706 365997038 /nfs/dbraw/zinc/99/70/38/365997038.db2.gz RZKFIFOUVITKSW-UHFFFAOYSA-N -2 3 292.382 1.149 20 0 CDADHL CCCC[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000579833232 324294376 /nfs/dbraw/zinc/29/43/76/324294376.db2.gz OBWOFRJVGWBKDA-UHFFFAOYSA-N -2 3 293.366 1.533 20 0 CDADHL Cc1cccc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])c1[O-] ZINC000019807154 356506825 /nfs/dbraw/zinc/50/68/25/356506825.db2.gz CBFAKZFUDAFXMN-NSHDSACASA-N -2 3 265.309 1.930 20 0 CDADHL COc1cccc2c(C(=O)N=c3[n-]nc(C)s3)n[n-]c21 ZINC000347950475 359715173 /nfs/dbraw/zinc/71/51/73/359715173.db2.gz HWIIKWRHQXHDJH-UHFFFAOYSA-N -2 3 289.320 1.406 20 0 CDADHL COc1cccc2c(C(=O)N=c3[n-]nc(C)s3)[n-]nc21 ZINC000347950475 359715178 /nfs/dbraw/zinc/71/51/78/359715178.db2.gz HWIIKWRHQXHDJH-UHFFFAOYSA-N -2 3 289.320 1.406 20 0 CDADHL C[C@H](CCC[N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000229519291 360094561 /nfs/dbraw/zinc/09/45/61/360094561.db2.gz CIWLLAQBESKRJR-MRVPVSSYSA-N -2 3 277.367 1.527 20 0 CDADHL Cc1nc(C=Cc2ccc(O)cc2)[n-]c(=O)c1CC(=O)[O-] ZINC000436580808 361535231 /nfs/dbraw/zinc/53/52/31/361535231.db2.gz XJEKXHHAAFDVTO-QPJJXVBHSA-N -2 3 286.287 1.994 20 0 CDADHL O=C(Nc1cccc(-c2nnn[n-]2)c1)c1c([O-])cccc1F ZINC000436952426 361618304 /nfs/dbraw/zinc/61/83/04/361618304.db2.gz WEZQQZMMDNHYFT-UHFFFAOYSA-N -2 3 299.265 1.964 20 0 CDADHL O=C(Nc1cccc(-c2nn[n-]n2)c1)c1c([O-])cccc1F ZINC000436952426 361618308 /nfs/dbraw/zinc/61/83/08/361618308.db2.gz WEZQQZMMDNHYFT-UHFFFAOYSA-N -2 3 299.265 1.964 20 0 CDADHL CC(C)(O)CO[N-]C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000284959622 368565918 /nfs/dbraw/zinc/56/59/18/368565918.db2.gz WHPMXSBXXXZAEQ-UHFFFAOYSA-N -2 3 288.373 1.660 20 0 CDADHL O=S(=O)(C[C@H]1CCCCO1)[N-]c1ccccc1[O-] ZINC000080928619 377822978 /nfs/dbraw/zinc/82/29/78/377822978.db2.gz FGQPEJKVCLJSQE-SNVBAGLBSA-N -2 3 271.338 1.703 20 0 CDADHL CC[C@@H](CS(=O)(=O)[N-]c1ccc(OC)cc1[O-])OC ZINC000421158617 390948156 /nfs/dbraw/zinc/94/81/56/390948156.db2.gz SMCBWWGUNJIXAL-VIFPVBQESA-N -2 3 289.353 1.568 20 0 CDADHL CC(=O)Nc1ccc([O-])c(C(=O)Nc2ncccc2[O-])c1 ZINC000341892679 130134831 /nfs/dbraw/zinc/13/48/31/130134831.db2.gz UUGXXXFYPGTDDM-UHFFFAOYSA-N -2 3 287.275 1.704 20 0 CDADHL CC(C)=CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000232623806 140223678 /nfs/dbraw/zinc/22/36/78/140223678.db2.gz JLRXKIQFLZWEEK-UHFFFAOYSA-N -2 3 287.312 1.768 20 0 CDADHL C[C@@H](CN(C(=O)c1ccc2n[n-]nc2c1)C1CC1)C(=O)[O-] ZINC000180226061 148144589 /nfs/dbraw/zinc/14/45/89/148144589.db2.gz IYZQAKNDVCRQSC-QMMMGPOBSA-N -2 3 288.307 1.283 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@]23C[C@@H]2CCC3)o1 ZINC000656718803 413599423 /nfs/dbraw/zinc/59/94/23/413599423.db2.gz QRLFTZCSKIRCFZ-CPCISQLKSA-N -2 3 271.294 1.199 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC2CCCCC2)o1 ZINC000037464686 173226239 /nfs/dbraw/zinc/22/62/39/173226239.db2.gz BRCNLXCUBOIYGO-UHFFFAOYSA-N -2 3 287.337 1.836 20 0 CDADHL Cc1cc(Cl)cc(NC(=O)c2nc(=O)[nH][n-]2)c1[O-] ZINC000116979702 279345589 /nfs/dbraw/zinc/34/55/89/279345589.db2.gz MBHQBIFSLUPNNC-UHFFFAOYSA-N -2 3 268.660 1.018 20 0 CDADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2[O-])co1 ZINC000129269816 279595890 /nfs/dbraw/zinc/59/58/90/279595890.db2.gz OJMWKXHHBNZQNE-UHFFFAOYSA-N -2 3 296.304 1.146 20 0 CDADHL CCc1ccc([O-])c(C(=O)NCCc2c(C)[n-][nH]c2=O)c1 ZINC000522290331 281096267 /nfs/dbraw/zinc/09/62/67/281096267.db2.gz SXTLMVCHCUCCTR-NSHDSACASA-N -2 3 289.335 1.196 20 0 CDADHL O=C([O-])C1([N-]S(=O)(=O)c2ccco2)CCCCCC1 ZINC000550977530 289997998 /nfs/dbraw/zinc/99/79/98/289997998.db2.gz IKNAFKRGDWBNII-UHFFFAOYSA-N -2 3 287.337 1.736 20 0 CDADHL CCc1ccccc1[C@@H]1C[C@H]1C(=O)N=c1ccc([O-])n[n-]1 ZINC000562751612 293191478 /nfs/dbraw/zinc/19/14/78/293191478.db2.gz JBQCEIGMONBZCM-QWHCGFSZSA-N -2 3 283.331 1.909 20 0 CDADHL CC[C@@](C)(C[N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000565886107 293702856 /nfs/dbraw/zinc/70/28/56/293702856.db2.gz OUZDWSYRCQCDKA-JTQLQIEISA-N -2 3 261.299 1.059 20 0 CDADHL COc1ccc([O-])c(C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000261637811 536819045 /nfs/dbraw/zinc/81/90/45/536819045.db2.gz IKCUCAAZPHNUCE-KOLCDFICSA-N -2 3 293.319 1.584 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)CCc1cccs1 ZINC001601995078 1175103665 /nfs/dbraw/zinc/10/36/65/1175103665.db2.gz LMQWWEABVCXIOL-UHFFFAOYSA-N -2 3 257.311 1.593 20 0 CDADHL O=C([O-])C1(NC(=O)c2cc3c(cc2[O-])OCO3)CCCC1 ZINC000821399634 598144375 /nfs/dbraw/zinc/14/43/75/598144375.db2.gz FYZNSIOQTSMCRQ-UHFFFAOYSA-N -2 3 293.275 1.248 20 0 CDADHL O=C([O-])c1ccc(C(=O)Nc2ncccc2[O-])cc1 ZINC000821546056 598160499 /nfs/dbraw/zinc/16/04/99/598160499.db2.gz UDJRCNILNQLLDP-UHFFFAOYSA-N -2 3 258.233 1.738 20 0 CDADHL O=C([O-])CCCCNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000070199750 598168131 /nfs/dbraw/zinc/16/81/31/598168131.db2.gz PCZXQNZJWIIOQU-UHFFFAOYSA-N -2 3 288.303 1.513 20 0 CDADHL CCc1cccc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)c1[O-] ZINC000830260245 601759012 /nfs/dbraw/zinc/75/90/12/601759012.db2.gz YUDOGKBJYURRQV-AWEZNQCLSA-N -2 3 281.283 1.593 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]3CCC[C@@H]23)o1 ZINC000903549321 626022141 /nfs/dbraw/zinc/02/21/41/626022141.db2.gz JEMKBTLOBIJHGA-DJLDLDEBSA-N -2 3 285.321 1.445 20 0 CDADHL COc1cc(C(=O)N(C)CCCC(=O)[O-])cc(OC)c1[O-] ZINC000908638184 628306855 /nfs/dbraw/zinc/30/68/55/628306855.db2.gz OTFTUUUBYQCLKP-UHFFFAOYSA-N -2 3 297.307 1.346 20 0 CDADHL O=C([O-])CCCCNC(=O)Cc1ccc([O-])c(F)c1 ZINC000909186508 628553474 /nfs/dbraw/zinc/55/34/74/628553474.db2.gz OJKYJSOFRQKNBZ-UHFFFAOYSA-N -2 3 269.272 1.445 20 0 CDADHL O=C([O-])[C@@H](CC(F)F)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000909771891 628661331 /nfs/dbraw/zinc/66/13/31/628661331.db2.gz SUZVMZCNJXDZGA-MRVPVSSYSA-N -2 3 291.225 1.298 20 0 CDADHL O=C(CCCc1ccc([O-])c(F)c1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000909833124 628701244 /nfs/dbraw/zinc/70/12/44/628701244.db2.gz LDJKYDJTXPCWCR-PHIMTYICSA-N -2 3 295.310 1.833 20 0 CDADHL CC[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)C(=O)[O-] ZINC001604485267 1163202945 /nfs/dbraw/zinc/20/29/45/1163202945.db2.gz NCBNEGJEGLDAAS-SSDOTTSWSA-N -2 3 265.248 1.281 20 0 CDADHL CC[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)C(=O)[O-] ZINC001604485267 1163202949 /nfs/dbraw/zinc/20/29/49/1163202949.db2.gz NCBNEGJEGLDAAS-SSDOTTSWSA-N -2 3 265.248 1.281 20 0 CDADHL O=C([O-])[C@@H]1CC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001606962369 1164039877 /nfs/dbraw/zinc/03/98/77/1164039877.db2.gz RWWQEBVAIAPGAO-SFYZADRCSA-N -2 3 291.286 1.671 20 0 CDADHL O=C([O-])[C@@H]1CC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001606962369 1164039881 /nfs/dbraw/zinc/03/98/81/1164039881.db2.gz RWWQEBVAIAPGAO-SFYZADRCSA-N -2 3 291.286 1.671 20 0 CDADHL O=C([O-])c1ccc(NC(=O)[N-]OCC(F)F)nc1 ZINC001608484761 1164525377 /nfs/dbraw/zinc/52/53/77/1164525377.db2.gz QQZKRASZCMVCHS-UHFFFAOYSA-N -2 3 261.184 1.098 20 0 CDADHL CC[C@H](C)[C@H](Nc1ccc(C)c(-c2nnn[n-]2)n1)C(=O)[O-] ZINC001590867905 1173532814 /nfs/dbraw/zinc/53/28/14/1173532814.db2.gz VLSRRHPCBJQWHH-CPCISQLKSA-N -2 3 290.327 1.481 20 0 CDADHL Cc1nc(N[C@@H]2CC=C(C(=O)[O-])C2)ccc1-c1nn[n-]n1 ZINC001592382253 1173876559 /nfs/dbraw/zinc/87/65/59/1173876559.db2.gz LABCALQLYQGQNX-SECBINFHSA-N -2 3 286.295 1.155 20 0 CDADHL O=C(c1ccc(-c2nn[n-]n2)c([O-])c1)N1CCCCCO1 ZINC001593334946 1174064652 /nfs/dbraw/zinc/06/46/52/1174064652.db2.gz HSNNVRBCMOSCNL-UHFFFAOYSA-N -2 3 289.295 1.130 20 0 CDADHL O=C([O-])CCCNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000095154682 1174500386 /nfs/dbraw/zinc/50/03/86/1174500386.db2.gz MGTOXQHUVUKDGP-UHFFFAOYSA-N -2 3 281.703 1.797 20 0 CDADHL O=C([O-])CCCNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000095154682 1174500392 /nfs/dbraw/zinc/50/03/92/1174500392.db2.gz MGTOXQHUVUKDGP-UHFFFAOYSA-N -2 3 281.703 1.797 20 0 CDADHL CSCC[C@H](C)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871993312 751384063 /nfs/dbraw/zinc/38/40/63/751384063.db2.gz HAWNTFDQHVOOJY-ZETCQYMHSA-N -2 3 293.366 1.398 20 0 CDADHL C[C@@H]1CN(C(=O)c2ccccc2[O-])CC[C@H]1C(=O)[O-] ZINC000306001644 751435638 /nfs/dbraw/zinc/43/56/38/751435638.db2.gz GTLFMSFOWULONN-NXEZZACHSA-N -2 3 263.293 1.575 20 0 CDADHL COCCO[N-]C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000133354037 749509410 /nfs/dbraw/zinc/50/94/10/749509410.db2.gz PNMBUVAVXQLJKZ-UHFFFAOYSA-N -2 3 259.302 1.106 20 0 CDADHL CC(C)NC(=O)[N-][N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000049463477 749869508 /nfs/dbraw/zinc/86/95/08/749869508.db2.gz HKAPBIOTHLQCSA-UHFFFAOYSA-N -2 3 291.760 1.241 20 0 CDADHL Cc1ccc(C(=O)NC[C@@H](C)CC(=O)[O-])c([O-])c1 ZINC000158527446 749874444 /nfs/dbraw/zinc/87/44/44/749874444.db2.gz QZDJNONUQNMKAA-VIFPVBQESA-N -2 3 251.282 1.541 20 0 CDADHL C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000131000269 750885323 /nfs/dbraw/zinc/88/53/23/750885323.db2.gz HELVXIGJQXVESR-HTQZYQBOSA-N -2 3 273.310 1.445 20 0 CDADHL Cc1n[n-]cc1C(=O)O[C@@H](CC(C)(C)C)C(=O)[O-] ZINC001610404437 1165308865 /nfs/dbraw/zinc/30/88/65/1165308865.db2.gz GRBTVTFQNHTYIG-VIFPVBQESA-N -2 3 254.286 1.764 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2C=CCC2)o1 ZINC000711699290 753062094 /nfs/dbraw/zinc/06/20/94/753062094.db2.gz VULAVWLNMMCOFO-QMMMGPOBSA-N -2 3 271.294 1.222 20 0 CDADHL CC(C)C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000780686846 753718893 /nfs/dbraw/zinc/71/88/93/753718893.db2.gz PDQXERDOOYKKHM-NSHDSACASA-N -2 3 298.314 1.830 20 0 CDADHL Cc1ccc(Nc2c(N)[nH]c(=O)[n-]c2=O)cc1C(=O)[O-] ZINC001211594326 897462142 /nfs/dbraw/zinc/46/21/42/897462142.db2.gz SEVPDKDXQGYBRW-UHFFFAOYSA-N -2 3 276.252 1.220 20 0 CDADHL CC[C@@H](CNC(=O)c1cc([O-])ccc1Cl)C(=O)[O-] ZINC000233871491 915050660 /nfs/dbraw/zinc/05/06/60/915050660.db2.gz DIJSGRBFDWMCTR-ZETCQYMHSA-N -2 3 271.700 1.886 20 0 CDADHL O=C([O-])C1(C(=O)NCc2ncccc2[O-])CCCCC1 ZINC001180439017 916337008 /nfs/dbraw/zinc/33/70/08/916337008.db2.gz RDJNYHXOTJPASX-UHFFFAOYSA-N -2 3 278.308 1.439 20 0 CDADHL Cc1cc(O)ccc1C(=O)NCCCCP(=O)([O-])[O-] ZINC001186195319 919918126 /nfs/dbraw/zinc/91/81/26/919918126.db2.gz UITWKUJTOBMYSO-UHFFFAOYSA-N -2 3 287.252 1.388 20 0 CDADHL Cc1ncc(S(=O)(=O)[N-]c2ccc(F)c([O-])c2)n1C ZINC001198398856 925424888 /nfs/dbraw/zinc/42/48/88/925424888.db2.gz QKATVPNZHJNVAY-UHFFFAOYSA-N -2 3 285.300 1.374 20 0 CDADHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1coc(C2CCC2)n1 ZINC001412378194 932399533 /nfs/dbraw/zinc/39/95/33/932399533.db2.gz VYIJBZVIWRIYBL-UHFFFAOYSA-N -2 3 290.279 1.073 20 0 CDADHL O=P([O-])([O-])CCCCO[C@@H]1CCOC[C@H]1F ZINC001225020956 941814718 /nfs/dbraw/zinc/81/47/18/941814718.db2.gz YPAOSSXXWYGDQZ-RKDXNWHRSA-N -2 3 256.210 1.088 20 0 CDADHL Cc1nn(C)cc1[C@H](C)Oc1nc2ncnc-2c([S-])[n-]1 ZINC001226780358 942068706 /nfs/dbraw/zinc/06/87/06/942068706.db2.gz HGNFGIOUUKXMEJ-ZETCQYMHSA-N -2 3 290.352 1.824 20 0 CDADHL C[C@@H]1CC[C@H](Oc2[n-]c(=O)nc3cn[n-]c32)C[C@@H]1C ZINC001233939095 943695841 /nfs/dbraw/zinc/69/58/41/943695841.db2.gz HRJDVAGDCWZWII-VGMNWLOBSA-N -2 3 262.313 1.850 20 0 CDADHL COc1cc(C(=O)[O-])ccc1-c1cncc(-c2nnn[n-]2)c1 ZINC001240737103 946008525 /nfs/dbraw/zinc/00/85/25/946008525.db2.gz QHVVQCPYHNBCLL-UHFFFAOYSA-N -2 3 297.274 1.636 20 0 CDADHL COc1cc(C(=O)[O-])ccc1-c1cncc(-c2nn[n-]n2)c1 ZINC001240737103 946008537 /nfs/dbraw/zinc/00/85/37/946008537.db2.gz QHVVQCPYHNBCLL-UHFFFAOYSA-N -2 3 297.274 1.636 20 0 CDADHL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000398750907 951606242 /nfs/dbraw/zinc/60/62/42/951606242.db2.gz VWHDTJSMTSEOJA-IUCAKERBSA-N -2 3 279.292 1.281 20 0 CDADHL COc1cccc([O-])c1C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000404739187 953380892 /nfs/dbraw/zinc/38/08/92/953380892.db2.gz VUMXJNPSOPMNKL-NXEZZACHSA-N -2 3 293.319 1.584 20 0 CDADHL COC(=O)c1cnc(S[C@@H](CC(C)C)C(=O)[O-])[n-]1 ZINC001593867471 955598022 /nfs/dbraw/zinc/59/80/22/955598022.db2.gz CEDGAUFNHNYSAR-QMMMGPOBSA-N -2 3 272.326 1.788 20 0 CDADHL O=C([O-])c1ccc(F)c(Cn2cc(Cl)c(=O)[n-]c2=O)c1 ZINC000231027646 960179731 /nfs/dbraw/zinc/17/97/31/960179731.db2.gz AYSFFTKWJXJRDD-UHFFFAOYSA-N -2 3 298.657 1.076 20 0 CDADHL O=C([O-])c1ccc(CNC(=O)c2ccc(O)cc2[O-])nc1 ZINC001571030828 960497221 /nfs/dbraw/zinc/49/72/21/960497221.db2.gz YEYNLMMOOLTJBS-UHFFFAOYSA-N -2 3 288.259 1.121 20 0 CDADHL O=C([O-])[C@H]1CCC[C@H]1[N-]C(=O)C(F)(F)C(F)F ZINC000236441127 960604366 /nfs/dbraw/zinc/60/43/66/960604366.db2.gz VRVJJKDEPWZZJH-CRCLSJGQSA-N -2 3 257.183 1.256 20 0 CDADHL Cc1noc(C(C)C)c1[N-]C(=O)c1cn(CC(=O)[O-])nn1 ZINC001574443996 961438683 /nfs/dbraw/zinc/43/86/83/961438683.db2.gz XDFAGWDMMNGTOF-UHFFFAOYSA-N -2 3 293.283 1.035 20 0 CDADHL Cc1cc(C(=O)NCc2nc([O-])cc(=O)[n-]2)oc1C ZINC001470582961 970348554 /nfs/dbraw/zinc/34/85/54/970348554.db2.gz JDYCYIUDGXZBPN-UHFFFAOYSA-N -2 3 263.253 1.028 20 0 CDADHL O=C([O-])C1=CC[C@@H](NC(=O)c2ccc(O)cc2[O-])C1 ZINC000694986480 976763705 /nfs/dbraw/zinc/76/37/05/976763705.db2.gz MTOKONVVVOQABM-MRVPVSSYSA-N -2 3 263.249 1.001 20 0 CDADHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C1(C)CC1 ZINC000706548029 977352977 /nfs/dbraw/zinc/35/29/77/977352977.db2.gz PCSKRYKLKQQGBA-SSDOTTSWSA-N -2 3 273.310 1.445 20 0 CDADHL Cc1cccc([O-])c1C(=O)NCc1ncc(C(=O)[O-])s1 ZINC000720647446 978049854 /nfs/dbraw/zinc/04/98/54/978049854.db2.gz ZHETZYAWYWUFHO-UHFFFAOYSA-N -2 3 292.316 1.785 20 0 CDADHL CCN(CC(=O)[O-])C(=O)c1cc(SC)ccc1[O-] ZINC001596219047 983609683 /nfs/dbraw/zinc/60/96/83/983609683.db2.gz AREHZTKJNHHDLI-UHFFFAOYSA-N -2 3 269.322 1.661 20 0 CDADHL CSc1nc(NC(=O)c2cccc(CC(=O)[O-])c2)n[n-]1 ZINC001599829513 988648412 /nfs/dbraw/zinc/64/84/12/988648412.db2.gz ZKVOKCORCVBFCC-UHFFFAOYSA-N -2 3 292.320 1.406 20 0 CDADHL CCc1nc(C)c(C(=O)[N-]c2nc(C(=O)[O-])ns2)o1 ZINC001597656612 988711582 /nfs/dbraw/zinc/71/15/82/988711582.db2.gz ATNYSTBCJNBAFZ-UHFFFAOYSA-N -2 3 282.281 1.347 20 0 CDADHL COc1ccc([O-])c(C(=O)Nc2cc(C(=O)[O-])nn2C)c1 ZINC001599598787 993784682 /nfs/dbraw/zinc/78/46/82/993784682.db2.gz YPSNHZFTZPMQDB-UHFFFAOYSA-N -2 3 291.263 1.085 20 0 CDADHL COc1c(NCc2ccc([O-])c(F)c2)ncnc1C(=O)[O-] ZINC001599344143 997972290 /nfs/dbraw/zinc/97/22/90/997972290.db2.gz GKHMIFOPUZAOKR-UHFFFAOYSA-N -2 3 293.254 1.640 20 0 CDADHL O=c1[n-]c(SCc2ccc(-c3nnn[n-]3)cc2F)n[nH]1 ZINC001593541527 1174111528 /nfs/dbraw/zinc/11/15/28/1174111528.db2.gz NNCVIYFGPAVKDL-UHFFFAOYSA-N -2 3 293.287 1.122 20 0 CDADHL O=c1[n-]c(SCc2ccc(-c3nn[n-]n3)cc2F)n[nH]1 ZINC001593541527 1174111529 /nfs/dbraw/zinc/11/15/29/1174111529.db2.gz NNCVIYFGPAVKDL-UHFFFAOYSA-N -2 3 293.287 1.122 20 0 CDADHL CCOC(=O)c1ncc(NC(=O)c2ccc(O)cc2[O-])[n-]1 ZINC000619448954 349721270 /nfs/dbraw/zinc/72/12/70/349721270.db2.gz MTEDKKUGVUKIRB-UHFFFAOYSA-N -2 3 291.263 1.250 20 0 CDADHL CCOC(=O)c1nc(NC(=O)c2ccc(O)cc2[O-])c[n-]1 ZINC000619448954 349721274 /nfs/dbraw/zinc/72/12/74/349721274.db2.gz MTEDKKUGVUKIRB-UHFFFAOYSA-N -2 3 291.263 1.250 20 0 CDADHL Cc1nc(C)c(S(=O)(=O)[N-]C[C@H](C)CC(=O)[O-])s1 ZINC000275022929 365895307 /nfs/dbraw/zinc/89/53/07/365895307.db2.gz PAHRAYQAOUHZET-ZCFIWIBFSA-N -2 3 292.382 1.149 20 0 CDADHL CC[C@@H](C)[C@H](NC(=O)c1cc(OC)ccc1[O-])C(=O)[O-] ZINC000036975524 356302548 /nfs/dbraw/zinc/30/25/48/356302548.db2.gz YTFQABSPCYENFM-PELKAZGASA-N -2 3 281.308 1.630 20 0 CDADHL CC(C)N(CCC(=O)[O-])C(=O)c1ccc2n[n-]nc2c1 ZINC000037585271 356496727 /nfs/dbraw/zinc/49/67/27/356496727.db2.gz LUGKYASJQVFPFR-UHFFFAOYSA-N -2 3 276.296 1.283 20 0 CDADHL CCC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000036838312 356886624 /nfs/dbraw/zinc/88/66/24/356886624.db2.gz FJWXXPZFQXOTMT-VIFPVBQESA-N -2 3 293.291 1.496 20 0 CDADHL Cc1ccc([O-])c(C(=O)N(C)C[C@H](C)c2nnn[n-]2)c1 ZINC000095332221 358681915 /nfs/dbraw/zinc/68/19/15/358681915.db2.gz CLZIPHJKGMFDSU-VIFPVBQESA-N -2 3 275.312 1.089 20 0 CDADHL Cc1ccc([O-])c(C(=O)N(C)C[C@H](C)c2nn[n-]n2)c1 ZINC000095332221 358681916 /nfs/dbraw/zinc/68/19/16/358681916.db2.gz CLZIPHJKGMFDSU-VIFPVBQESA-N -2 3 275.312 1.089 20 0 CDADHL CC(C)(CCC(=O)[O-])NC(=O)c1ccc2n[n-]nc2c1 ZINC000050195785 359621138 /nfs/dbraw/zinc/62/11/38/359621138.db2.gz DPYFTRQJDUWLIV-UHFFFAOYSA-N -2 3 276.296 1.331 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CCC[C@@H](C)[C@@H]2C(=O)[O-])n1 ZINC000424273612 359987134 /nfs/dbraw/zinc/98/71/34/359987134.db2.gz TZXAEQFXCGHASL-NOZJJQNGSA-N -2 3 279.340 1.430 20 0 CDADHL O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc(F)ccc1[O-] ZINC000436754086 361571305 /nfs/dbraw/zinc/57/13/05/361571305.db2.gz GZVWZAHEYKRQAG-UHFFFAOYSA-N -2 3 299.265 1.964 20 0 CDADHL O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc(F)ccc1[O-] ZINC000436754086 361571308 /nfs/dbraw/zinc/57/13/08/361571308.db2.gz GZVWZAHEYKRQAG-UHFFFAOYSA-N -2 3 299.265 1.964 20 0 CDADHL Cc1cccc(S(=O)(=O)[N-][C@@H]2C=C[C@@H](C(=O)[O-])C2)c1F ZINC000274965366 239068657 /nfs/dbraw/zinc/06/86/57/239068657.db2.gz IDRHENHCAYHDRB-NXEZZACHSA-N -2 3 299.323 1.442 20 0 CDADHL CC[C@@H](C)CO[N-]C(=O)C(=O)c1ccc([O-])cc1 ZINC000293646471 370728986 /nfs/dbraw/zinc/72/89/86/370728986.db2.gz GPJHOKIIWHHECK-SECBINFHSA-N -2 3 251.282 1.669 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]C(C)(C)C)cc1C(=O)[O-] ZINC000572637928 371265160 /nfs/dbraw/zinc/26/51/60/371265160.db2.gz CMWYXNAMEYJUCC-UHFFFAOYSA-N -2 3 261.299 1.363 20 0 CDADHL C[C@H]1C[C@H]1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000169109483 372071974 /nfs/dbraw/zinc/07/19/74/372071974.db2.gz PFLYRZVOQMXDCQ-CBAPKCEASA-N -2 3 287.312 1.458 20 0 CDADHL O=C([O-])[C@@H]1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000263581377 372799186 /nfs/dbraw/zinc/79/91/86/372799186.db2.gz XBJUEMHKKGYAFP-LLVKDONJSA-N -2 3 289.331 1.818 20 0 CDADHL CC1(C)C[C@H](C(=O)N=c2ccc([O-])n[n-]2)c2ccccc2O1 ZINC000415466994 375397987 /nfs/dbraw/zinc/39/79/87/375397987.db2.gz SZWDKWUFPUDMPD-NSHDSACASA-N -2 3 299.330 1.888 20 0 CDADHL CCc1ccc(C(=O)N(C)Cc2n[n-]c(=O)o2)c([O-])c1 ZINC000647696043 391415687 /nfs/dbraw/zinc/41/56/87/391415687.db2.gz UZCHNDSFOLMIHF-UHFFFAOYSA-N -2 3 277.280 1.315 20 0 CDADHL O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cc(Cl)ccc2[O-])O1 ZINC000442666574 392282339 /nfs/dbraw/zinc/28/23/39/392282339.db2.gz RUHKXMBJTUQISR-ZJUUUORDSA-N -2 3 285.683 1.616 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]CCC(=O)[O-])c(Cl)cc1F ZINC000261729702 140381438 /nfs/dbraw/zinc/38/14/38/140381438.db2.gz SIPDMKHBKCCUGQ-UHFFFAOYSA-N -2 3 295.719 1.541 20 0 CDADHL CC(=O)c1ccc(C(=O)NC[C@H](C)C(=O)[O-])cc1[O-] ZINC000656231529 413127762 /nfs/dbraw/zinc/12/77/62/413127762.db2.gz KWXSXWATCNGXJC-ZETCQYMHSA-N -2 3 265.265 1.045 20 0 CDADHL O=C([O-])[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccco1 ZINC000358847712 158050267 /nfs/dbraw/zinc/05/02/67/158050267.db2.gz NOXCRVGQLFFTPX-LLVKDONJSA-N -2 3 295.316 1.254 20 0 CDADHL Cc1cccc(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)c1[O-] ZINC000035390205 172173429 /nfs/dbraw/zinc/17/34/29/172173429.db2.gz TXGKUWPRNUHAEE-LLVKDONJSA-N -2 3 265.309 1.930 20 0 CDADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000035390655 172174431 /nfs/dbraw/zinc/17/44/31/172174431.db2.gz KNRQIBACKUSALS-MRVPVSSYSA-N -2 3 277.367 1.526 20 0 CDADHL CC(C)[C@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)C(=O)[O-] ZINC000037406034 173182161 /nfs/dbraw/zinc/18/21/61/173182161.db2.gz GBOYEWJMXXSLOK-JTQLQIEISA-N -2 3 293.291 1.352 20 0 CDADHL CCN(CCC(=O)[O-])C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000038022481 174003888 /nfs/dbraw/zinc/00/38/88/174003888.db2.gz BDQMFMDHSFIUJK-UHFFFAOYSA-N -2 3 288.303 1.465 20 0 CDADHL CC1(C)C[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000045134973 175312426 /nfs/dbraw/zinc/31/24/26/175312426.db2.gz LVIPLHCKPHUUPJ-SNVBAGLBSA-N -2 3 287.312 1.601 20 0 CDADHL CCS(=O)(=O)[N-]c1n[n-]c(SC(C)C)n1 ZINC000152835464 289147851 /nfs/dbraw/zinc/14/78/51/289147851.db2.gz XVTVGJRZQHVMKT-UHFFFAOYSA-N -2 3 250.349 1.067 20 0 CDADHL CCOC(=O)c1cc([N-]S(=O)(=O)CCC2CC2)n[n-]1 ZINC000157247062 289282397 /nfs/dbraw/zinc/28/23/97/289282397.db2.gz DOBBSBNEYGXOTQ-UHFFFAOYSA-N -2 3 287.341 1.128 20 0 CDADHL O=C([O-])CCCCCNC(=O)N=c1cc2ccccn2[n-]1 ZINC000561181371 293058812 /nfs/dbraw/zinc/05/88/12/293058812.db2.gz IFMSTVLGXZRBBH-UHFFFAOYSA-N -2 3 290.323 1.523 20 0 CDADHL COc1ccc([O-])c(C(=O)N2CC[C@H](C)C[C@H]2C(=O)[O-])c1 ZINC000125411116 295165564 /nfs/dbraw/zinc/16/55/64/295165564.db2.gz MQEZCTWXSAGVCO-CABZTGNLSA-N -2 3 293.319 1.726 20 0 CDADHL CCC[C@@](C)([N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000583260623 325138610 /nfs/dbraw/zinc/13/86/10/325138610.db2.gz VCDJPAFWHPHMGP-SNVBAGLBSA-N -2 3 261.299 1.201 20 0 CDADHL Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)[O-])[n-]n2)o1 ZINC000738248036 576053160 /nfs/dbraw/zinc/05/31/60/576053160.db2.gz BYWQWKDRYADGRW-SSDOTTSWSA-N -2 3 264.237 1.608 20 0 CDADHL Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)[O-])n[n-]2)o1 ZINC000738248036 576053161 /nfs/dbraw/zinc/05/31/61/576053161.db2.gz BYWQWKDRYADGRW-SSDOTTSWSA-N -2 3 264.237 1.608 20 0 CDADHL O=C([O-])NCCC(=O)Nc1n[n-]c(-c2cccs2)n1 ZINC000739947275 576402149 /nfs/dbraw/zinc/40/21/49/576402149.db2.gz UDQTXISCRWUVPT-UHFFFAOYSA-N -2 3 281.297 1.129 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)C[C@H]1OCCc2ccccc21 ZINC001601995742 1175105060 /nfs/dbraw/zinc/10/50/60/1175105060.db2.gz UMTNWPKOSGSNAC-CYBMUJFWSA-N -2 3 293.319 1.603 20 0 CDADHL O=C([O-])CSCC(=O)Nc1cccc([O-])c1F ZINC000821537786 597492023 /nfs/dbraw/zinc/49/20/23/597492023.db2.gz URSNKCHCNGIQCL-UHFFFAOYSA-N -2 3 259.258 1.288 20 0 CDADHL CCCCC[C@H](NC(=O)c1ccc(O)cc1[O-])C(=O)[O-] ZINC000829332969 601644158 /nfs/dbraw/zinc/64/41/58/601644158.db2.gz GNFHAHAJDATLQM-NSHDSACASA-N -2 3 281.308 1.861 20 0 CDADHL CCc1cccc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)c1[O-] ZINC000830260249 601760154 /nfs/dbraw/zinc/76/01/54/601760154.db2.gz ZBSBXIVHTCDOPX-LLVKDONJSA-N -2 3 293.319 1.270 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC3CCC2CC3)o1 ZINC000312897859 604660196 /nfs/dbraw/zinc/66/01/96/604660196.db2.gz XXCWYMNTPMRAIB-RTBKNWGFSA-N -2 3 299.348 1.835 20 0 CDADHL CC(C)(C)[C@@H](NC(=O)c1cc2c(cc1[O-])OCO2)C(=O)[O-] ZINC000833422544 604710535 /nfs/dbraw/zinc/71/05/35/604710535.db2.gz FVUZMZPSQOFZNV-NSHDSACASA-N -2 3 295.291 1.350 20 0 CDADHL O=C([O-])C1(NC(=O)Cc2ccc([O-])c(F)c2)CCC1 ZINC000909337250 617747090 /nfs/dbraw/zinc/74/70/90/617747090.db2.gz PSYHSWFOGRYSGK-UHFFFAOYSA-N -2 3 267.256 1.197 20 0 CDADHL O=S(=O)(C[C@@H]1CCCOC1)[N-]c1ccc(F)cc1[O-] ZINC000795333162 619725717 /nfs/dbraw/zinc/72/57/17/619725717.db2.gz FYZWMIKSVVHILW-SECBINFHSA-N -2 3 289.328 1.700 20 0 CDADHL C[C@@H](CC(=O)[O-])NC(=O)Cc1ccc([O-])c(F)c1 ZINC000908485151 628235857 /nfs/dbraw/zinc/23/58/57/628235857.db2.gz TUHJGBGRORCNTP-ZETCQYMHSA-N -2 3 255.245 1.053 20 0 CDADHL CCN(CCC(=O)[O-])C(=O)c1ccc(C(C)=O)c([O-])c1 ZINC000908862841 628401508 /nfs/dbraw/zinc/40/15/08/628401508.db2.gz RWAKPICKEDZQBH-UHFFFAOYSA-N -2 3 279.292 1.532 20 0 CDADHL O=C([O-])C[C@H](NC(=O)Cc1ccc([O-])c(F)c1)C1CC1 ZINC000909073727 628488401 /nfs/dbraw/zinc/48/84/01/628488401.db2.gz JUXVGGWNLYVVFO-NSHDSACASA-N -2 3 281.283 1.443 20 0 CDADHL O=C([O-])[C@H](CC(F)F)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000909771892 628661254 /nfs/dbraw/zinc/66/12/54/628661254.db2.gz SUZVMZCNJXDZGA-QMMMGPOBSA-N -2 3 291.225 1.298 20 0 CDADHL O=C([O-])CSCCC(=O)[N-]OCCC(F)(F)F ZINC000911804480 629534460 /nfs/dbraw/zinc/53/44/60/629534460.db2.gz FENFBHUEUHHUBI-UHFFFAOYSA-N -2 3 275.248 1.195 20 0 CDADHL O=C([N-]Oc1cccc(-c2nnn[n-]2)c1)C12CC(C1)C2 ZINC001606863798 1164019028 /nfs/dbraw/zinc/01/90/28/1164019028.db2.gz QZPXJCCNCZRIDP-UHFFFAOYSA-N -2 3 271.280 1.077 20 0 CDADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)C12CC(C1)C2 ZINC001606863798 1164019033 /nfs/dbraw/zinc/01/90/33/1164019033.db2.gz QZPXJCCNCZRIDP-UHFFFAOYSA-N -2 3 271.280 1.077 20 0 CDADHL COCCN(CCC(=O)[O-])Cc1cc(C(=O)[O-])c(C)o1 ZINC001606886854 1164024462 /nfs/dbraw/zinc/02/44/62/1164024462.db2.gz IMZBWLRWYVWJFX-UHFFFAOYSA-N -2 3 285.296 1.209 20 0 CDADHL Cc1nc(N2CCc3nc[n-]c(=O)c3C2)ccc1C(=O)[O-] ZINC001610557774 1165355255 /nfs/dbraw/zinc/35/52/55/1165355255.db2.gz MHDRLOAWDHXTGV-UHFFFAOYSA-N -2 3 286.291 1.147 20 0 CDADHL O=C([O-])[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000095233095 1166611416 /nfs/dbraw/zinc/61/14/16/1166611416.db2.gz DUIVKHSIPAANAD-JTQLQIEISA-N -2 3 273.296 1.168 20 0 CDADHL CC[C@H](CNc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC001590445670 1173410268 /nfs/dbraw/zinc/41/02/68/1173410268.db2.gz HZOIAWZAJGLMCN-MRVPVSSYSA-N -2 3 261.285 1.389 20 0 CDADHL Cc1nc(NCCC(=O)[O-])c(Cl)cc1-c1nnn[n-]1 ZINC001592388835 1173878147 /nfs/dbraw/zinc/87/81/47/1173878147.db2.gz ZXXAPUIDPFSNIL-UHFFFAOYSA-N -2 3 282.691 1.110 20 0 CDADHL Cc1nc(NCCC(=O)[O-])c(Cl)cc1-c1nn[n-]n1 ZINC001592388835 1173878150 /nfs/dbraw/zinc/87/81/50/1173878150.db2.gz ZXXAPUIDPFSNIL-UHFFFAOYSA-N -2 3 282.691 1.110 20 0 CDADHL O=C([O-])[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cscn1 ZINC001602172859 1175151838 /nfs/dbraw/zinc/15/18/38/1175151838.db2.gz XHOSHGBOMVZXPR-SFYZADRCSA-N -2 3 290.366 1.065 20 0 CDADHL O=C([O-])c1cncc(CN2CCC[C@H](C(=O)[O-])C2)c1 ZINC001602537966 1175278810 /nfs/dbraw/zinc/27/88/10/1175278810.db2.gz HNHJUDZQMDLLQM-JTQLQIEISA-N -2 3 264.281 1.076 20 0 CDADHL O=C([O-])CCCC(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC001608709713 1164614438 /nfs/dbraw/zinc/61/44/38/1164614438.db2.gz LLBMRFQDHQDGCN-UHFFFAOYSA-N -2 3 275.268 1.060 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)CCC[C@@H](O)c1ccccc1 ZINC001608715847 1164618017 /nfs/dbraw/zinc/61/80/17/1164618017.db2.gz IYDHPDVFCCLZKS-CYBMUJFWSA-N -2 3 295.335 1.803 20 0 CDADHL CCCC1(C[N-]S(=O)(=O)c2occc2C(=O)[O-])CC1 ZINC000871994312 755632408 /nfs/dbraw/zinc/63/24/08/755632408.db2.gz VFDWBWUWZAHIGS-UHFFFAOYSA-N -2 3 287.337 1.836 20 0 CDADHL C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000716433463 755637235 /nfs/dbraw/zinc/63/72/35/755637235.db2.gz JVWVDOMUJHSGLL-IFFSRLJSSA-N -2 3 299.348 1.548 20 0 CDADHL COc1ccc(C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC000263359804 756019387 /nfs/dbraw/zinc/01/93/87/756019387.db2.gz RRXZGZPSDIWOIR-NXEZZACHSA-N -2 3 293.319 1.584 20 0 CDADHL O=C([O-])[C@]12COC[C@H]1CN(Cc1c(F)ccc([O-])c1F)C2 ZINC000854242106 758775780 /nfs/dbraw/zinc/77/57/80/758775780.db2.gz ALUIFTJKIFYZHC-XLKFXECMSA-N -2 3 299.273 1.203 20 0 CDADHL COc1cccc(-c2noc([N-][C@@H](C)C(=O)[O-])n2)c1 ZINC000841489742 758842516 /nfs/dbraw/zinc/84/25/16/758842516.db2.gz VMAQHDWMIQWJGQ-ZETCQYMHSA-N -2 3 263.253 1.630 20 0 CDADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2CC2)c(F)cc1Cl ZINC000202354294 1166538072 /nfs/dbraw/zinc/53/80/72/1166538072.db2.gz XCFJNKFZZBOURW-UHFFFAOYSA-N -2 3 293.703 1.618 20 0 CDADHL O=C(Cc1ccc([S-])cc1)NCc1ncccc1[O-] ZINC001183190694 918337212 /nfs/dbraw/zinc/33/72/12/918337212.db2.gz XRDPJZFTYGNEPN-UHFFFAOYSA-N -2 3 274.345 1.935 20 0 CDADHL O=S(=O)([N-]C1=CC=C[CH]1)c1cnc(Cl)nc1 ZINC001185069284 919408183 /nfs/dbraw/zinc/40/81/83/919408183.db2.gz KRARLQCPQVXPRO-UHFFFAOYSA-N -2 3 256.694 1.066 20 0 CDADHL O=C(NCCP(=O)([O-])[O-])Nc1c(F)cc(F)cc1F ZINC001186072549 919855587 /nfs/dbraw/zinc/85/55/87/919855587.db2.gz STEPHNNITDWKDE-UHFFFAOYSA-N -2 3 298.157 1.403 20 0 CDADHL CCc1ccccc1NC(=O)NCCP(=O)([O-])[O-] ZINC001187652292 920605926 /nfs/dbraw/zinc/60/59/26/920605926.db2.gz SOJDIDKNGGDRJG-UHFFFAOYSA-N -2 3 272.241 1.548 20 0 CDADHL Cc1cc(F)ncc1C(=O)NCCCCP(=O)([O-])[O-] ZINC001193633112 923819788 /nfs/dbraw/zinc/81/97/88/923819788.db2.gz IIHJXJMQSVJRRT-UHFFFAOYSA-N -2 3 290.231 1.217 20 0 CDADHL Cc1cccc(C)c1NC(=S)NCCP(=O)([O-])[O-] ZINC001198373391 925407531 /nfs/dbraw/zinc/40/75/31/925407531.db2.gz QLFGDNNSLPWNRV-UHFFFAOYSA-N -2 3 288.309 1.768 20 0 CDADHL O=C(NCCP(=O)([O-])[O-])Nc1cccc(F)c1 ZINC001202232749 926511227 /nfs/dbraw/zinc/51/12/27/926511227.db2.gz MWZHRGJZRVFQBE-UHFFFAOYSA-N -2 3 262.177 1.125 20 0 CDADHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1ccc(Cl)s1 ZINC001412378205 932399417 /nfs/dbraw/zinc/39/94/17/932399417.db2.gz WCSWUNKYDIFARB-UHFFFAOYSA-N -2 3 285.712 1.533 20 0 CDADHL O=C([O-])CCc1ccc(Nc2cnc[n-]c2=O)cc1 ZINC001213625787 940780795 /nfs/dbraw/zinc/78/07/95/940780795.db2.gz SKOFZGCTVXGBPA-UHFFFAOYSA-N -2 3 259.265 1.943 20 0 CDADHL CC(C)C[C@H](OCCP(=O)([O-])[O-])C(=O)OC(C)C ZINC001224603767 941774363 /nfs/dbraw/zinc/77/43/63/941774363.db2.gz BRVXNGHQLWKKGM-JTQLQIEISA-N -2 3 282.273 1.547 20 0 CDADHL CCOC(=O)[C@@H]1CC[C@H](OCCCCP(=O)([O-])[O-])C1 ZINC001225018920 941814846 /nfs/dbraw/zinc/81/48/46/941814846.db2.gz LRLFRRGGAZTKEA-MNOVXSKESA-N -2 3 294.284 1.693 20 0 CDADHL C[C@H](Cc1ccccc1)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233939951 943696778 /nfs/dbraw/zinc/69/67/78/943696778.db2.gz RMHDYRUGXKRHMF-SECBINFHSA-N -2 3 270.292 1.656 20 0 CDADHL O=C([O-])c1ccc(-c2ccccc2-c2nnn[n-]2)cn1 ZINC001242335675 946678713 /nfs/dbraw/zinc/67/87/13/946678713.db2.gz LXLAETOBTZQFLY-UHFFFAOYSA-N -2 3 267.248 1.627 20 0 CDADHL O=C([O-])c1ccc(-c2ccccc2-c2nn[n-]n2)cn1 ZINC001242335675 946678717 /nfs/dbraw/zinc/67/87/17/946678717.db2.gz LXLAETOBTZQFLY-UHFFFAOYSA-N -2 3 267.248 1.627 20 0 CDADHL CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000126023485 949262425 /nfs/dbraw/zinc/26/24/25/949262425.db2.gz NJLPIYOTYBJRLA-HNNXBMFYSA-N -2 3 293.319 1.815 20 0 CDADHL COc1cccc([O-])c1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000404707457 953381635 /nfs/dbraw/zinc/38/16/35/953381635.db2.gz BPIRYEDTHPJDDU-UHFFFAOYSA-N -2 3 279.292 1.338 20 0 CDADHL Cc1nocc1S(=O)(=O)[N-]Cc1ccc(C(=O)[O-])cc1 ZINC001571057548 960743883 /nfs/dbraw/zinc/74/38/83/960743883.db2.gz HGDPXNPMPKVKRK-UHFFFAOYSA-N -2 3 296.304 1.160 20 0 CDADHL O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)C1 ZINC001574608605 962191142 /nfs/dbraw/zinc/19/11/42/962191142.db2.gz AZPFNZHNPWICHF-JGVFFNPUSA-N -2 3 289.291 1.708 20 0 CDADHL CC1(C(=O)[O-])CN(Cc2cccc([O-])c2Cl)C1 ZINC000399196817 973202659 /nfs/dbraw/zinc/20/26/59/973202659.db2.gz LYPPRKQTGOBTRZ-UHFFFAOYSA-N -2 3 255.701 1.952 20 0 CDADHL CC[C@@](C)([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C1CC1 ZINC000691639991 976379063 /nfs/dbraw/zinc/37/90/63/976379063.db2.gz PRSDYOPJLJEZOX-GFCCVEGCSA-N -2 3 287.337 1.835 20 0 CDADHL CC[C@](C)([N-]S(=O)(=O)c1occc1C(=O)[O-])C1CC1 ZINC001594853729 982115852 /nfs/dbraw/zinc/11/58/52/982115852.db2.gz JDGFBMQBSOKGGC-LBPRGKRZSA-N -2 3 287.337 1.835 20 0 CDADHL CCc1cccc(C(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)c1[O-] ZINC001597570364 988342299 /nfs/dbraw/zinc/34/22/99/988342299.db2.gz FNFUFTYRACDDJR-BXKDBHETSA-N -2 3 293.319 1.269 20 0 CDADHL COc1cccc(CCC(=O)[N-]OCCCC(=O)[O-])c1F ZINC001599670692 994806271 /nfs/dbraw/zinc/80/62/71/994806271.db2.gz JMRCIXHGMNJRAC-UHFFFAOYSA-N -2 3 299.298 1.680 20 0 CDADHL COC(=O)c1[n-]cnc1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001599015237 998932703 /nfs/dbraw/zinc/93/27/03/998932703.db2.gz BAQDOKDOLWFJET-ZKCHVHJHSA-N -2 3 295.295 1.026 20 0 CDADHL COC(=O)c1nc[n-]c1NC(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001599015237 998932706 /nfs/dbraw/zinc/93/27/06/998932706.db2.gz BAQDOKDOLWFJET-ZKCHVHJHSA-N -2 3 295.295 1.026 20 0 CDADHL O=C(Nc1c[n-][nH]c1=O)c1ccc(Cl)cc1[O-] ZINC001651044590 1171280466 /nfs/dbraw/zinc/28/04/66/1171280466.db2.gz QAYDYSBKLDOFAP-UHFFFAOYSA-N -2 3 253.645 1.727 20 0 CDADHL CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1cccs1 ZINC000082771012 178284764 /nfs/dbraw/zinc/28/47/64/178284764.db2.gz CXZLNXPMBXZKLX-UHFFFAOYSA-N -2 3 263.340 1.280 20 0 CDADHL Cc1cccc(F)c1S(=O)(=O)[N-]CCCCC(=O)[O-] ZINC000274977564 365876512 /nfs/dbraw/zinc/87/65/12/365876512.db2.gz XFIMDKZKZGYSAI-UHFFFAOYSA-N -2 3 289.328 1.667 20 0 CDADHL CSc1ccc([O-])c(C(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC000659761541 482583881 /nfs/dbraw/zinc/58/38/81/482583881.db2.gz NGBKRRKXOLESOG-SNVBAGLBSA-N -2 3 281.333 1.803 20 0 CDADHL CCC[C@H](NC(=O)c1ccc(OC)cc1[O-])c1nnn[n-]1 ZINC000092424841 180383319 /nfs/dbraw/zinc/38/33/19/180383319.db2.gz ILQVWQREVMYEMO-JTQLQIEISA-N -2 3 291.311 1.185 20 0 CDADHL CCC[C@H](NC(=O)c1ccc(OC)cc1[O-])c1nn[n-]n1 ZINC000092424841 180383322 /nfs/dbraw/zinc/38/33/22/180383322.db2.gz ILQVWQREVMYEMO-JTQLQIEISA-N -2 3 291.311 1.185 20 0 CDADHL CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000036178073 356865141 /nfs/dbraw/zinc/86/51/41/356865141.db2.gz YWBVRAJLVGNRLN-SNVBAGLBSA-N -2 3 293.291 1.352 20 0 CDADHL Cc1ccc(C(=O)N2CCC[C@H]2CC(=O)[O-])c([O-])c1 ZINC000042144515 357055081 /nfs/dbraw/zinc/05/50/81/357055081.db2.gz XFZMSXDBFNBYHR-JTQLQIEISA-N -2 3 263.293 1.780 20 0 CDADHL C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000054333932 357317795 /nfs/dbraw/zinc/31/77/95/357317795.db2.gz QGRQQXHFMRJVAR-ZCFIWIBFSA-N -2 3 295.719 1.478 20 0 CDADHL Cc1nc(C=Cc2cccc(O)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000347378927 359333581 /nfs/dbraw/zinc/33/35/81/359333581.db2.gz GZLOJEKNLGNPDM-AATRIKPKSA-N -2 3 286.287 1.994 20 0 CDADHL COc1ccc([O-])c(C(=O)N2CCC[C@](C)(C(=O)[O-])C2)c1 ZINC000062868772 360015656 /nfs/dbraw/zinc/01/56/56/360015656.db2.gz KTHSEUIBHIJCEP-HNNXBMFYSA-N -2 3 293.319 1.728 20 0 CDADHL CC[C@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C(=O)[O-] ZINC000231806630 360483035 /nfs/dbraw/zinc/48/30/35/360483035.db2.gz ZOLAQKFAXDSABM-LURJTMIESA-N -2 3 297.785 1.851 20 0 CDADHL CO[C@@](C)(C(=O)N=c1ccc([O-])n[n-]1)c1ccccc1F ZINC000429095083 360752389 /nfs/dbraw/zinc/75/23/89/360752389.db2.gz RKMVBMSZBYFHRW-CQSZACIVSA-N -2 3 291.282 1.244 20 0 CDADHL O=S(=O)([N-]Cc1ncccc1[O-])c1sccc1F ZINC000338971592 361181285 /nfs/dbraw/zinc/18/12/85/361181285.db2.gz ASGFPRIVHNYMKO-UHFFFAOYSA-N -2 3 288.325 1.466 20 0 CDADHL N=c1[n-]nc(CCN=c2nc(-c3ccccc3)[n-]s2)o1 ZINC000436353604 361497775 /nfs/dbraw/zinc/49/77/75/361497775.db2.gz SPTUOGLHDWTDIJ-UHFFFAOYSA-N -2 3 288.336 1.077 20 0 CDADHL O=C([O-])[C@@H](CC(F)F)[N-]S(=O)(=O)c1cccc(F)c1 ZINC000275331898 193003185 /nfs/dbraw/zinc/00/31/85/193003185.db2.gz UEJHPGBMWJZSNX-MRVPVSSYSA-N -2 3 297.254 1.212 20 0 CDADHL O=C([O-])Cc1csc([N-]C(=O)c2cc(C3CC3)no2)n1 ZINC000630096385 367790355 /nfs/dbraw/zinc/79/03/55/367790355.db2.gz MRYJKALVJCTWMJ-UHFFFAOYSA-N -2 3 293.304 1.888 20 0 CDADHL CC(C)c1nc(=NCCCc2c[n-][nH]c2=O)s[n-]1 ZINC000631362904 376153350 /nfs/dbraw/zinc/15/33/50/376153350.db2.gz ZYSXOVVAKFSQTC-QMMMGPOBSA-N -2 3 267.358 1.007 20 0 CDADHL Cc1nc(C=Cc2cncnc2)[n-]c(=O)c1CCC(=O)[O-] ZINC000443448801 250030334 /nfs/dbraw/zinc/03/03/34/250030334.db2.gz ZQCHMEMDKHNGHL-RQOWECAXSA-N -2 3 286.291 1.468 20 0 CDADHL COC(=O)c1ccc(C=CC(=O)N=c2ccc([O-])n[n-]2)cc1 ZINC000492741649 253284448 /nfs/dbraw/zinc/28/44/48/253284448.db2.gz TYHJDJYKVVVGIT-XBXARRHUSA-N -2 3 299.286 1.043 20 0 CDADHL C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000054333863 391429325 /nfs/dbraw/zinc/42/93/25/391429325.db2.gz KEWPZULMIFVRAX-YFKPBYRVSA-N -2 3 283.758 1.401 20 0 CDADHL O=C(Nc1ncccc1[O-])c1ccc2oc(=O)nc-2[n-]1 ZINC000646590510 392584064 /nfs/dbraw/zinc/58/40/64/392584064.db2.gz MODZLDQXMLQOQS-UHFFFAOYSA-N -2 3 272.220 1.281 20 0 CDADHL Cc1c([N-]S(=O)(=O)Cc2ccon2)cccc1C(=O)[O-] ZINC000548563126 393325598 /nfs/dbraw/zinc/32/55/98/393325598.db2.gz UCAWVNHDWHBPRA-UHFFFAOYSA-N -2 3 296.304 1.623 20 0 CDADHL Cc1ccsc1S(=O)(=O)[N-][C@@H](CCF)C(=O)[O-] ZINC000656163155 413065437 /nfs/dbraw/zinc/06/54/37/413065437.db2.gz PRJXWJKZRCHQRA-ZETCQYMHSA-N -2 3 281.330 1.148 20 0 CDADHL C[C@@]([N-]S(=O)(=O)c1cccs1)(C(=O)[O-])C1CC1 ZINC000036947374 398051279 /nfs/dbraw/zinc/05/12/79/398051279.db2.gz QFRXQGOUFGOCOB-JTQLQIEISA-N -2 3 275.351 1.280 20 0 CDADHL COc1cc(C(=O)Nc2ncccc2[O-])cc(OC)c1[O-] ZINC000343092082 152028129 /nfs/dbraw/zinc/02/81/29/152028129.db2.gz MXCAGBFIVQJNSB-UHFFFAOYSA-N -2 3 290.275 1.762 20 0 CDADHL CCn1cn[n-]c1=NC(=O)c1cc(-c2cccs2)[n-]n1 ZINC000356195126 157391891 /nfs/dbraw/zinc/39/18/91/157391891.db2.gz ZBOJMWBTBPPUFO-UHFFFAOYSA-N -2 3 288.336 1.424 20 0 CDADHL CC[C@@H](C)[C@@H](NC(=O)c1ccc2n[n-]nc2c1)C(=O)[O-] ZINC000037448516 173216365 /nfs/dbraw/zinc/21/63/65/173216365.db2.gz UQBXEEZFFZAVNZ-RDDDGLTNSA-N -2 3 276.296 1.187 20 0 CDADHL CSc1ccc([O-])c(C(=O)NCCC(=O)[O-])c1 ZINC000659763024 414088604 /nfs/dbraw/zinc/08/86/04/414088604.db2.gz SWOIPKWSWNTDTI-UHFFFAOYSA-N -2 3 255.295 1.319 20 0 CDADHL CC1(C)C[C@@H]1C[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000232955491 280122606 /nfs/dbraw/zinc/12/26/06/280122606.db2.gz UIZFBPAIBJVMRV-ZCFIWIBFSA-N -2 3 290.366 1.166 20 0 CDADHL CCO[C@@H](CC)C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001590783068 1173511241 /nfs/dbraw/zinc/51/12/41/1173511241.db2.gz WILOOFVMMMLLBD-NSHDSACASA-N -2 3 291.311 1.092 20 0 CDADHL CC(C)C[C@H](C(=O)[O-])[S@](=O)c1ccc([O-])cc1 ZINC000566605317 316639347 /nfs/dbraw/zinc/63/93/47/316639347.db2.gz MFVYAYBCQWIHAE-PIGZYNQJSA-N -2 3 256.323 1.999 20 0 CDADHL O=C([O-])[C@H](CF)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000582843679 325054620 /nfs/dbraw/zinc/05/46/20/325054620.db2.gz UDHHWPCFQJTMOA-VIFPVBQESA-N -2 3 295.719 1.182 20 0 CDADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CCCF ZINC000583810351 325245230 /nfs/dbraw/zinc/24/52/30/325245230.db2.gz IXOHGIYRCUNKNY-UHFFFAOYSA-N -2 3 297.329 1.093 20 0 CDADHL COc1cccc(C(=O)NCC2(C(=O)[O-])CCC2)c1[O-] ZINC000166651640 482829857 /nfs/dbraw/zinc/82/98/57/482829857.db2.gz AGNVINMWLAFNHW-UHFFFAOYSA-N -2 3 279.292 1.386 20 0 CDADHL CC(C)[C@H](CNC(=O)c1ccccc1[O-])C(=O)[O-] ZINC000087478288 482858500 /nfs/dbraw/zinc/85/85/00/482858500.db2.gz VKLXSEQSWIEJRZ-JTQLQIEISA-N -2 3 251.282 1.479 20 0 CDADHL C[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C1CCC1 ZINC000137671128 483533218 /nfs/dbraw/zinc/53/32/18/483533218.db2.gz WZAWQWBKEYPWSA-ZCFIWIBFSA-N -2 3 290.366 1.308 20 0 CDADHL CCn1c(=O)[n-]nc1S[C@@H](C(=O)[O-])c1ccccc1 ZINC000058181989 523094389 /nfs/dbraw/zinc/09/43/89/523094389.db2.gz SKCRBPVQGHTVJV-SECBINFHSA-N -2 3 279.321 1.509 20 0 CDADHL CC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000184839560 524004456 /nfs/dbraw/zinc/00/44/56/524004456.db2.gz SSOCPUIYBCKYOE-QMMMGPOBSA-N -2 3 289.328 1.909 20 0 CDADHL COC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(OC)ccc1[O-] ZINC000262834210 536795691 /nfs/dbraw/zinc/79/56/91/536795691.db2.gz RZTXRTQMNDKJDJ-CQSZACIVSA-N -2 3 297.307 1.010 20 0 CDADHL O=C([O-])CSc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000095142777 1174498640 /nfs/dbraw/zinc/49/86/40/1174498640.db2.gz LDHJFIQSEZJKTQ-UHFFFAOYSA-N -2 3 270.701 1.697 20 0 CDADHL O=C([O-])CSc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000095142777 1174498644 /nfs/dbraw/zinc/49/86/44/1174498644.db2.gz LDHJFIQSEZJKTQ-UHFFFAOYSA-N -2 3 270.701 1.697 20 0 CDADHL COc1ccc([O-])c(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000738041346 576033376 /nfs/dbraw/zinc/03/33/76/576033376.db2.gz ICDYCWJIDSENSX-SECBINFHSA-N -2 3 294.307 1.273 20 0 CDADHL Cc1[n-]ncc1S(=O)(=O)Oc1cccc(CC(=O)[O-])c1 ZINC000738249737 576053700 /nfs/dbraw/zinc/05/37/00/576053700.db2.gz ZCPFQXSUSYRBMD-UHFFFAOYSA-N -2 3 296.304 1.113 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]Cc2ccco2)cc1C(=O)[O-] ZINC000833026796 601213947 /nfs/dbraw/zinc/21/39/47/601213947.db2.gz LFBFUFQINQQWME-UHFFFAOYSA-N -2 3 285.277 1.358 20 0 CDADHL O=C([O-])N1CCC[C@H]([N-]C(=O)C(F)(F)C(F)F)C1 ZINC000831985520 605717072 /nfs/dbraw/zinc/71/70/72/605717072.db2.gz KMJQSCLVLLRNGV-YFKPBYRVSA-N -2 3 272.198 1.145 20 0 CDADHL CC(C)(C)[C@H](NC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000908971395 628442441 /nfs/dbraw/zinc/44/24/41/628442441.db2.gz KEPBHMKZFWEMHC-GFCCVEGCSA-N -2 3 283.299 1.689 20 0 CDADHL O=C([O-])CSCCC(=O)[N-]OC1CCCCC1 ZINC000911806641 629537849 /nfs/dbraw/zinc/53/78/49/629537849.db2.gz VAVQXVHWNSMFSN-UHFFFAOYSA-N -2 3 261.343 1.575 20 0 CDADHL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(CF)CF ZINC001605886669 1163706891 /nfs/dbraw/zinc/70/68/91/1163706891.db2.gz YVSPVGAPSAOUPM-UHFFFAOYSA-N -2 3 297.279 1.126 20 0 CDADHL COc1ccc(OC)c(CC(=O)[N-]OCCCC(=O)[O-])c1 ZINC001607281383 1164141822 /nfs/dbraw/zinc/14/18/22/1164141822.db2.gz USBJRBCNYIOIBQ-UHFFFAOYSA-N -2 3 297.307 1.159 20 0 CDADHL C[C@H](CC(=O)[O-])Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001609109062 1164774085 /nfs/dbraw/zinc/77/40/85/1164774085.db2.gz OCMRDVDMDQXZSW-ZCFIWIBFSA-N -2 3 265.248 1.281 20 0 CDADHL C[C@H](CC(=O)[O-])Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001609109062 1164774093 /nfs/dbraw/zinc/77/40/93/1164774093.db2.gz OCMRDVDMDQXZSW-ZCFIWIBFSA-N -2 3 265.248 1.281 20 0 CDADHL O=C([O-])Cc1csc([N-]c2ncnc3ncccc23)n1 ZINC001610797713 1165445604 /nfs/dbraw/zinc/44/56/04/1165445604.db2.gz BVAPPWBJRGLCSZ-UHFFFAOYSA-N -2 3 287.304 1.852 20 0 CDADHL O=C([O-])c1ccc(Cl)c(C(=O)[N-]n2ccccc2=O)c1 ZINC001610830425 1165457622 /nfs/dbraw/zinc/45/76/22/1165457622.db2.gz LPXCDDGFWNGZPK-UHFFFAOYSA-N -2 3 292.678 1.584 20 0 CDADHL O=C([O-])c1coc(COC(=O)c2cccc3nn[n-]c32)c1 ZINC001610868089 1165468852 /nfs/dbraw/zinc/46/88/52/1165468852.db2.gz VXOGMVRUGCXNLS-UHFFFAOYSA-N -2 3 287.231 1.606 20 0 CDADHL O=C([O-])c1coc(COC(=O)c2cccc3[n-]nnc32)c1 ZINC001610868089 1165468854 /nfs/dbraw/zinc/46/88/54/1165468854.db2.gz VXOGMVRUGCXNLS-UHFFFAOYSA-N -2 3 287.231 1.606 20 0 CDADHL O=C([O-])c1coc(COC(=O)c2cccc3n[n-]nc32)c1 ZINC001610868089 1165468855 /nfs/dbraw/zinc/46/88/55/1165468855.db2.gz VXOGMVRUGCXNLS-UHFFFAOYSA-N -2 3 287.231 1.606 20 0 CDADHL CC[C@H](C)OCC(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001590415597 1173403626 /nfs/dbraw/zinc/40/36/26/1173403626.db2.gz RJRHKNVEDVMFNB-VIFPVBQESA-N -2 3 291.311 1.092 20 0 CDADHL CC[C@H](C)OCC(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001590415597 1173403633 /nfs/dbraw/zinc/40/36/33/1173403633.db2.gz RJRHKNVEDVMFNB-VIFPVBQESA-N -2 3 291.311 1.092 20 0 CDADHL CCO[C@@H](CC)C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001590783068 1173511234 /nfs/dbraw/zinc/51/12/34/1173511234.db2.gz WILOOFVMMMLLBD-NSHDSACASA-N -2 3 291.311 1.092 20 0 CDADHL Cc1cccnc1C(F)(F)C(=O)[N-][C@@H](CF)C(=O)[O-] ZINC001600592488 1174516099 /nfs/dbraw/zinc/51/60/99/1174516099.db2.gz YZUXCXGXSJTXCB-ZETCQYMHSA-N -2 3 276.214 1.021 20 0 CDADHL Cn1ncc2c1nc(S[C@H](C(=O)[O-])C(C)(C)C)[n-]c2=O ZINC001601030702 1174708922 /nfs/dbraw/zinc/70/89/22/1174708922.db2.gz ITINPIMWXVYIHT-SSDOTTSWSA-N -2 3 296.352 1.660 20 0 CDADHL O=C([O-])c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)[nH]1 ZINC001602324050 1175205397 /nfs/dbraw/zinc/20/53/97/1175205397.db2.gz BJBNZAOAFWTKBI-UHFFFAOYSA-N -2 3 298.262 1.145 20 0 CDADHL O=C([O-])c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)[nH]1 ZINC001602324050 1175205401 /nfs/dbraw/zinc/20/54/01/1175205401.db2.gz BJBNZAOAFWTKBI-UHFFFAOYSA-N -2 3 298.262 1.145 20 0 CDADHL C/C(=C/c1ccco1)C(=O)[N-]OCCCC(=O)[O-] ZINC001602985911 1175472021 /nfs/dbraw/zinc/47/20/21/1175472021.db2.gz QQLBAIQVFSYLOO-HJWRWDBZSA-N -2 3 253.254 1.596 20 0 CDADHL CON(C(=O)c1ccc(C(C)=O)c([O-])c1)[C@H](C)CC(=O)[O-] ZINC001606988424 1164052913 /nfs/dbraw/zinc/05/29/13/1164052913.db2.gz STQLLRQVNIIRIF-MRVPVSSYSA-N -2 3 295.291 1.462 20 0 CDADHL O=C([O-])C[C@H](O)CNC(=O)c1cc2sccc2c([O-])c1 ZINC001608676333 1164600468 /nfs/dbraw/zinc/60/04/68/1164600468.db2.gz ZBCMMIVKKSRBFN-QMMMGPOBSA-N -2 3 295.316 1.172 20 0 CDADHL C[C@H](NC(=O)c1nnc2ccccc2c1[O-])[C@H](C)C(=O)[O-] ZINC000823333664 769101132 /nfs/dbraw/zinc/10/11/32/769101132.db2.gz JHKRMYDYTXXZCS-YUMQZZPRSA-N -2 3 289.291 1.174 20 0 CDADHL CCCC[C@H](NC(=O)NCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000780687130 772271429 /nfs/dbraw/zinc/27/14/29/772271429.db2.gz VOIKZBLCWFXHQV-NSHDSACASA-N -2 3 298.314 1.974 20 0 CDADHL Cc1ccc(F)cc1S(=O)(=O)[N-][N-]C(=O)C(C)C ZINC000048653510 772301147 /nfs/dbraw/zinc/30/11/47/772301147.db2.gz RUKZMOHSGNZFQI-UHFFFAOYSA-N -2 3 274.317 1.100 20 0 CDADHL C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC000130980512 773321928 /nfs/dbraw/zinc/32/19/28/773321928.db2.gz LQBCDWOYJMWCAL-NKWVEPMBSA-N -2 3 290.366 1.308 20 0 CDADHL C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000694187492 898163752 /nfs/dbraw/zinc/16/37/52/898163752.db2.gz BMLBUPKQNPNFCR-VXNVDRBHSA-N -2 3 273.310 1.445 20 0 CDADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)CC1CC1 ZINC001188976225 921229356 /nfs/dbraw/zinc/22/93/56/921229356.db2.gz CRBHJNQRPORBTJ-UHFFFAOYSA-N -2 3 285.321 1.331 20 0 CDADHL Cc1cc(F)ccc1NC(=S)NCCP(=O)([O-])[O-] ZINC001196136194 924818793 /nfs/dbraw/zinc/81/87/93/924818793.db2.gz ABNFNQMDOMUNBZ-UHFFFAOYSA-N -2 3 292.272 1.598 20 0 CDADHL Cc1cc(NCCCc2c[n-][nH]c2=O)cnc1C(=O)[O-] ZINC001164394546 939469873 /nfs/dbraw/zinc/46/98/73/939469873.db2.gz GBCFOTAKPMLHCF-SECBINFHSA-N -2 3 276.296 1.012 20 0 CDADHL CCOC(=O)c1nonc1[N-]c1cc(F)cc(C(=O)[O-])c1 ZINC001209885783 940649508 /nfs/dbraw/zinc/64/95/08/940649508.db2.gz ODUKUUSHLIPJDY-UHFFFAOYSA-N -2 3 295.226 1.827 20 0 CDADHL CCOc1ccc([C@H](C)Oc2nc(=O)[n-]c(=O)[n-]2)cc1 ZINC001227571646 942191297 /nfs/dbraw/zinc/19/12/97/942191297.db2.gz XNFJMBRFRZGLNS-QMMMGPOBSA-N -2 3 277.280 1.822 20 0 CDADHL O=C([O-])Cc1cccc(-c2cncc(-c3nnn[n-]3)c2)c1 ZINC001242263371 946648171 /nfs/dbraw/zinc/64/81/71/946648171.db2.gz ACHVFFACGPHRBV-UHFFFAOYSA-N -2 3 281.275 1.556 20 0 CDADHL O=C([O-])Cc1cccc(-c2cncc(-c3nn[n-]n3)c2)c1 ZINC001242263371 946648175 /nfs/dbraw/zinc/64/81/75/946648175.db2.gz ACHVFFACGPHRBV-UHFFFAOYSA-N -2 3 281.275 1.556 20 0 CDADHL O=S(=O)([O-])c1cccc(-c2cccc([O-])c2F)n1 ZINC001243540972 947139538 /nfs/dbraw/zinc/13/95/38/947139538.db2.gz AWDLKCQKDNTYHD-UHFFFAOYSA-N -2 3 269.253 1.840 20 0 CDADHL O=C([O-])c1cc(-c2cccc(-c3nnn[n-]3)c2)cnc1F ZINC001244755786 947456470 /nfs/dbraw/zinc/45/64/70/947456470.db2.gz MACRSFFAEOCAOD-UHFFFAOYSA-N -2 3 285.238 1.766 20 0 CDADHL O=C([O-])c1cc(-c2cccc(-c3nn[n-]n3)c2)cnc1F ZINC001244755786 947456480 /nfs/dbraw/zinc/45/64/80/947456480.db2.gz MACRSFFAEOCAOD-UHFFFAOYSA-N -2 3 285.238 1.766 20 0 CDADHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1csc(C2CC2)n1 ZINC001363037488 971834566 /nfs/dbraw/zinc/83/45/66/971834566.db2.gz LPHJCQDJOARSQJ-UHFFFAOYSA-N -2 3 292.320 1.152 20 0 CDADHL Cc1nc(N[C@H]2CC[C@@H](CC(=O)[O-])C2)cc(=O)[n-]1 ZINC000386224154 972036822 /nfs/dbraw/zinc/03/68/22/972036822.db2.gz OULCJIRVURERKY-BDAKNGLRSA-N -2 3 251.286 1.546 20 0 CDADHL CC(C)C[C@H](OC(=O)c1cncc([O-])c1)C(=O)[O-] ZINC001603017901 972072546 /nfs/dbraw/zinc/07/25/46/972072546.db2.gz FUYVJPQTEOJROK-JTQLQIEISA-N -2 3 253.254 1.443 20 0 CDADHL COC(=O)c1ccc(-c2nc(C3(C(=O)[O-])CCC3)no2)[n-]1 ZINC001593875599 955666667 /nfs/dbraw/zinc/66/66/67/955666667.db2.gz DIQVPEGNWDRAKA-UHFFFAOYSA-N -2 3 291.263 1.358 20 0 CDADHL Cn1nccc1[C@@H](NCc1cccc([O-])c1Cl)C(=O)[O-] ZINC001594594757 956076940 /nfs/dbraw/zinc/07/69/40/956076940.db2.gz ILWNNWRSTBHOAJ-GFCCVEGCSA-N -2 3 295.726 1.695 20 0 CDADHL Cc1ccc(-c2nc(NC(=O)[C@H](C(=O)[O-])C3CC3)n[n-]2)o1 ZINC001594337233 958274375 /nfs/dbraw/zinc/27/43/75/958274375.db2.gz CMGMZRRSFVSXKO-SECBINFHSA-N -2 3 290.279 1.422 20 0 CDADHL O=C([O-])C[C@H]1COCCN1Cc1ccc([O-])c(F)c1 ZINC000232449168 960275982 /nfs/dbraw/zinc/27/59/82/960275982.db2.gz NHNPLVQALJTCGK-JTQLQIEISA-N -2 3 269.272 1.207 20 0 CDADHL Cc1cc(=O)[n-]c(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)n1 ZINC001574343399 960952083 /nfs/dbraw/zinc/95/20/83/960952083.db2.gz UJHJLOWJZZZUPY-CYBMUJFWSA-N -2 3 291.282 1.545 20 0 CDADHL Cc1noc(C(C)C)c1C(=O)NCc1nc([O-])cc(=O)[n-]1 ZINC001434233356 961104524 /nfs/dbraw/zinc/10/45/24/961104524.db2.gz ZQIURPCBNAFMCN-UHFFFAOYSA-N -2 3 292.295 1.238 20 0 CDADHL O=C([O-])[C@@H](CC1CC1)NC(=O)c1ccc(O)cc1[O-] ZINC000311740792 963508588 /nfs/dbraw/zinc/50/85/88/963508588.db2.gz XSLQQMPYSHASDS-SNVBAGLBSA-N -2 3 265.265 1.081 20 0 CDADHL CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000062869452 967548594 /nfs/dbraw/zinc/54/85/94/967548594.db2.gz VMRHPKCUYCSKHH-OAHLLOKOSA-N -2 3 293.319 1.815 20 0 CDADHL O=C([O-])[C@@]12COC[C@H]1CN(Cc1c(F)ccc([O-])c1F)C2 ZINC001549336920 968142071 /nfs/dbraw/zinc/14/20/71/968142071.db2.gz ALUIFTJKIFYZHC-CLAHSXSESA-N -2 3 299.273 1.203 20 0 CDADHL CCCCNC(=S)NCCCCP(=O)([O-])[O-] ZINC001200468341 968280338 /nfs/dbraw/zinc/28/03/38/968280338.db2.gz KQTZRFOGGIAACR-UHFFFAOYSA-N -2 3 268.319 1.209 20 0 CDADHL CCOC(=O)c1c[n-]c(NC(=O)c2cccc(F)c2[O-])n1 ZINC001361439213 970202854 /nfs/dbraw/zinc/20/28/54/970202854.db2.gz UYTMAXRMKNYVCH-UHFFFAOYSA-N -2 3 293.254 1.683 20 0 CDADHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1cnc(C2CC2)s1 ZINC001470583068 970347321 /nfs/dbraw/zinc/34/73/21/970347321.db2.gz NGOTYMZIEKSBTM-UHFFFAOYSA-N -2 3 292.320 1.152 20 0 CDADHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1cc(F)cc(Cl)c1 ZINC001470583220 970347794 /nfs/dbraw/zinc/34/77/94/970347794.db2.gz UILIZBUVTDNPMM-UHFFFAOYSA-N -2 3 297.673 1.610 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]C2CCC3(CC3)CC2)c1 ZINC000695651295 976798576 /nfs/dbraw/zinc/79/85/76/976798576.db2.gz QNOCCUYDCAJQJW-UHFFFAOYSA-N -2 3 299.348 1.979 20 0 CDADHL Cc1cc(=O)[n-]c(CSc2nc(C(=O)[O-])cs2)n1 ZINC000700437291 976958146 /nfs/dbraw/zinc/95/81/46/976958146.db2.gz ZWTPCJAHMMQXBT-UHFFFAOYSA-N -2 3 283.334 1.938 20 0 CDADHL C[C@H](CC(=O)[N-]OCCCC(=O)[O-])c1ccncc1 ZINC001592251806 977480654 /nfs/dbraw/zinc/48/06/54/977480654.db2.gz IDVVDGIZPLQSJR-SNVBAGLBSA-N -2 3 266.297 1.488 20 0 CDADHL COc1cccc([O-])c1C(=O)NCC(C)(C)CC(=O)[O-] ZINC000720919069 978085353 /nfs/dbraw/zinc/08/53/53/978085353.db2.gz OOTKFEIVOIGXCT-UHFFFAOYSA-N -2 3 281.308 1.632 20 0 CDADHL CC[C@H](C(=O)[O-])C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001594749092 981647762 /nfs/dbraw/zinc/64/77/62/981647762.db2.gz UGYPEGNYDHNLKG-WHFBIAKZSA-N -2 3 294.233 1.112 20 0 CDADHL CC(=O)Nc1ccc([O-])c(C(=O)N(C)C[C@H](C)C(=O)[O-])c1 ZINC001589199420 985631502 /nfs/dbraw/zinc/63/15/02/985631502.db2.gz KLFXUISSBLVYOO-QMMMGPOBSA-N -2 3 294.307 1.143 20 0 CDADHL CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)/C=C\C(=O)[O-])c1 ZINC001589199488 985633285 /nfs/dbraw/zinc/63/32/85/985633285.db2.gz OJNLXAQDIVDNRM-LBLVLHIFSA-N -2 3 292.291 1.110 20 0 CDADHL CCc1ccc(C(=O)N[C@@H](CCOC)C(=O)[O-])c([O-])c1 ZINC001597500396 988055388 /nfs/dbraw/zinc/05/53/88/988055388.db2.gz LOODIJDAHSONPO-NSHDSACASA-N -2 3 281.308 1.174 20 0 CDADHL CCc1ccc(C(=O)N[C@@H]2C[C@H]3C[C@@]3(C(=O)[O-])C2)c([O-])c1 ZINC001597501081 988064857 /nfs/dbraw/zinc/06/48/57/988064857.db2.gz PLJDENQHTIDLKD-LYOVBCGYSA-N -2 3 289.331 1.938 20 0 CDADHL CCc1cccc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])c1[O-] ZINC001597570346 988342587 /nfs/dbraw/zinc/34/25/87/988342587.db2.gz DOIIECSMZZDMPI-NSHDSACASA-N -2 3 293.319 1.270 20 0 CDADHL CCC(C)(C)C[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001604895787 1163372908 /nfs/dbraw/zinc/37/29/08/1163372908.db2.gz DAAZRIRGHXMQSY-UHFFFAOYSA-N -2 3 275.326 1.692 20 0 CDADHL COc1cc(CC(=O)[N-]OCCCC(=O)[O-])ccc1C ZINC001599400873 997212135 /nfs/dbraw/zinc/21/21/35/997212135.db2.gz LTUQOZZLYCTQRN-UHFFFAOYSA-N -2 3 281.308 1.459 20 0 CDADHL COC[C@@](C)(NCc1ccc(C(=O)[O-])cc1F)C(=O)[O-] ZINC001599153658 998331485 /nfs/dbraw/zinc/33/14/85/998331485.db2.gz JDJGITDBZJCTMX-CYBMUJFWSA-N -2 3 285.271 1.103 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@H](C)C(=O)[O-])c(F)c1F ZINC000629292885 361816169 /nfs/dbraw/zinc/81/61/69/361816169.db2.gz BKTWYYIEQYUIOD-ZCFIWIBFSA-N -2 3 279.264 1.025 20 0 CDADHL CC1(C)CCC[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000094324725 342063601 /nfs/dbraw/zinc/06/36/01/342063601.db2.gz JUZNCZKVWXUNRS-SECBINFHSA-N -2 3 287.337 1.835 20 0 CDADHL Cc1ccc([O-])c(C(=O)NC2(CC(=O)[O-])CCC2)c1 ZINC000094291032 539039356 /nfs/dbraw/zinc/03/93/56/539039356.db2.gz WBBRRECRISLOHW-UHFFFAOYSA-N -2 3 263.293 1.828 20 0 CDADHL CC1(C)C[C@@]1(C(=O)N=c1ccc([O-])n[n-]1)c1ccccc1 ZINC000622847195 342261201 /nfs/dbraw/zinc/26/12/01/342261201.db2.gz LPHDHTDXPYKILP-INIZCTEOSA-N -2 3 283.331 1.911 20 0 CDADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@H]1C=C[C@@H](C(=O)[O-])C1 ZINC000275085117 365916265 /nfs/dbraw/zinc/91/62/65/365916265.db2.gz ZLQSKFQPONCHDJ-ZJUUUORDSA-N -2 3 299.323 1.442 20 0 CDADHL COc1cc(C(=O)[N-]c2n[n-]c(SC)n2)sn1 ZINC000621799411 350786295 /nfs/dbraw/zinc/78/62/95/350786295.db2.gz ADLDJGLCTMDXEV-UHFFFAOYSA-N -2 3 271.327 1.244 20 0 CDADHL COc1ccc([O-])c(C(=O)N[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000036971354 356295722 /nfs/dbraw/zinc/29/57/22/356295722.db2.gz ULGOTTDTFOPLOL-NSHDSACASA-N -2 3 281.308 1.630 20 0 CDADHL C/C=C/C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000634653262 356640505 /nfs/dbraw/zinc/64/05/05/356640505.db2.gz OWRSSDKAZAPRMH-VMZHVLLKSA-N -2 3 287.312 1.523 20 0 CDADHL COc1ccc(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)c([O-])c1 ZINC000054294119 358710579 /nfs/dbraw/zinc/71/05/79/358710579.db2.gz PIXCSMRWMLFYJH-JTQLQIEISA-N -2 3 293.319 1.728 20 0 CDADHL Cc1ccc(NC(=O)[C@H](C)O[C@H](C)C(=O)[O-])c([O-])c1 ZINC000421804169 359433485 /nfs/dbraw/zinc/43/34/85/359433485.db2.gz JHNMGULMMYHRFY-DTWKUNHWSA-N -2 3 267.281 1.517 20 0 CDADHL O=C(c1ccccc1[O-])N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000436790237 361574743 /nfs/dbraw/zinc/57/47/43/361574743.db2.gz GDZJOEPARPLTNV-UHFFFAOYSA-N -2 3 289.291 1.501 20 0 CDADHL Cc1cccc(S(=O)(=O)[N-][C@H]2C=C[C@@H](C(=O)[O-])C2)c1F ZINC000274965373 239069484 /nfs/dbraw/zinc/06/94/84/239069484.db2.gz IDRHENHCAYHDRB-ZJUUUORDSA-N -2 3 299.323 1.442 20 0 CDADHL CCC[C@@H]([N-]C(=O)C(F)(F)C(F)F)c1nnn[n-]1 ZINC000268165499 363992315 /nfs/dbraw/zinc/99/23/15/363992315.db2.gz IZCAMGWODBCLEV-SCSAIBSYSA-N -2 3 269.202 1.058 20 0 CDADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)c1 ZINC000568990727 294136571 /nfs/dbraw/zinc/13/65/71/294136571.db2.gz HDJWXMDBXIBQLR-KYZUINATSA-N -2 3 287.312 1.276 20 0 CDADHL O=C([O-])c1ccc([N-]S(=O)(=O)Cc2ccon2)cc1O ZINC000548526944 369886556 /nfs/dbraw/zinc/88/65/56/369886556.db2.gz UOFSIDSVPZTYQH-UHFFFAOYSA-N -2 3 298.276 1.020 20 0 CDADHL CCc1cc(=O)[n-]c(CN(C)C2(C(=O)[O-])CCCC2)n1 ZINC000565255097 370404591 /nfs/dbraw/zinc/40/45/91/370404591.db2.gz SXACSQCJURUFSR-UHFFFAOYSA-N -2 3 279.340 1.574 20 0 CDADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)OC ZINC000290631056 371281304 /nfs/dbraw/zinc/28/13/04/371281304.db2.gz LGCWDVVVKDXMCN-QMMMGPOBSA-N -2 3 293.366 1.150 20 0 CDADHL COc1ccccc1C=CC(=O)N=c1ccc([O-])n[n-]1 ZINC000492718493 253280023 /nfs/dbraw/zinc/28/00/23/253280023.db2.gz UGDFXZUAROSYGE-VURMDHGXSA-N -2 3 271.276 1.265 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]CCCC(=O)[O-])c(F)cc1F ZINC000261628488 131157607 /nfs/dbraw/zinc/15/76/07/131157607.db2.gz DJMFZXKOQCXTOE-UHFFFAOYSA-N -2 3 293.291 1.416 20 0 CDADHL CCC(C)(C)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000663420851 412179152 /nfs/dbraw/zinc/17/91/52/412179152.db2.gz VSWPMAGHYRBAEJ-UHFFFAOYSA-N -2 3 275.326 1.753 20 0 CDADHL Cc1ccc([O-])c(C(=O)N(CC(=O)[O-])C2CCC2)c1 ZINC000655588372 424115513 /nfs/dbraw/zinc/11/55/13/424115513.db2.gz FJVJIAYTJLSCLP-UHFFFAOYSA-N -2 3 263.293 1.780 20 0 CDADHL O=C(Nc1nnn[n-]1)c1cc2ccccc2cc1[O-] ZINC000094155555 265220899 /nfs/dbraw/zinc/22/08/99/265220899.db2.gz URKDCTIFWCYGRM-UHFFFAOYSA-N -2 3 255.237 1.311 20 0 CDADHL O=C(Nc1nn[n-]n1)c1cc2ccccc2cc1[O-] ZINC000094155555 265220902 /nfs/dbraw/zinc/22/09/02/265220902.db2.gz URKDCTIFWCYGRM-UHFFFAOYSA-N -2 3 255.237 1.311 20 0 CDADHL COc1cccc(C(=O)N(CC(=O)[O-])CC(C)(C)C)c1[O-] ZINC000659784001 424555857 /nfs/dbraw/zinc/55/58/57/424555857.db2.gz GGCZJWQMMIAEEL-UHFFFAOYSA-N -2 3 295.335 1.974 20 0 CDADHL O=C(N=c1cc2ccccn2[n-]1)c1csc(=NC2CC2)[n-]1 ZINC000553319341 290112047 /nfs/dbraw/zinc/11/20/47/290112047.db2.gz GKTMWQQMIJRCBW-UHFFFAOYSA-N -2 3 299.359 1.461 20 0 CDADHL Cc1cc(=O)[n-]c([C@@H](C)N2CCSC[C@@H]2CC(=O)[O-])n1 ZINC000569128990 294165028 /nfs/dbraw/zinc/16/50/28/294165028.db2.gz FZOZEZCUOAWBEB-ZJUUUORDSA-N -2 3 297.380 1.444 20 0 CDADHL Cc1ncc(CNC(=O)c2c(F)ccc([O-])c2F)c(=O)[n-]1 ZINC000570249264 294202722 /nfs/dbraw/zinc/20/27/22/294202722.db2.gz YXDOQOGROOPDDF-UHFFFAOYSA-N -2 3 295.245 1.404 20 0 CDADHL CC[C@@H](CSC)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000571675071 294485486 /nfs/dbraw/zinc/48/54/86/294485486.db2.gz ORQOSJWORFRQEO-QMMMGPOBSA-N -2 3 293.366 1.398 20 0 CDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccs1)C1CCC1 ZINC000399102720 323882135 /nfs/dbraw/zinc/88/21/35/323882135.db2.gz FQCFJGBGMXNHGA-VIFPVBQESA-N -2 3 275.351 1.280 20 0 CDADHL Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc([O-])c(F)c1 ZINC000681734604 482980361 /nfs/dbraw/zinc/98/03/61/482980361.db2.gz YYUGXXGOAXJHKH-UHFFFAOYSA-N -2 3 279.227 1.293 20 0 CDADHL CCN(C(=O)c1ccc2n[n-]nc2c1)C(C)(C)C(=O)[O-] ZINC000061149568 520093480 /nfs/dbraw/zinc/09/34/80/520093480.db2.gz FMYUBAVFLSWCKS-UHFFFAOYSA-N -2 3 276.296 1.283 20 0 CDADHL Cc1cc(F)c(S(=O)(=O)[N-]CC(C)C)cc1C(=O)[O-] ZINC000184853198 524928151 /nfs/dbraw/zinc/92/81/51/524928151.db2.gz VLVFYWXFRXWRLL-UHFFFAOYSA-N -2 3 289.328 1.767 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2C(=O)[O-])o1 ZINC001600481957 1174488012 /nfs/dbraw/zinc/48/80/12/1174488012.db2.gz QPTLKVUSTVQTGU-ZJUUUORDSA-N -2 3 287.337 1.510 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2C(=O)[O-])o1 ZINC001600479525 1174488117 /nfs/dbraw/zinc/48/81/17/1174488117.db2.gz BMRZBXPSFJNROS-IUCAKERBSA-N -2 3 273.310 1.120 20 0 CDADHL O=C([O-])[C@H](Cc1ccc(F)cc1)SCCc1nnn[n-]1 ZINC001601659601 1174934317 /nfs/dbraw/zinc/93/43/17/1174934317.db2.gz PIUUYJCKDRAMJG-JTQLQIEISA-N -2 3 296.327 1.310 20 0 CDADHL O=C([O-])[C@H](Cc1ccc(F)cc1)SCCc1nn[n-]n1 ZINC001601659601 1174934321 /nfs/dbraw/zinc/93/43/21/1174934321.db2.gz PIUUYJCKDRAMJG-JTQLQIEISA-N -2 3 296.327 1.310 20 0 CDADHL O=C(Nc1c([O-])cccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000738138785 576042237 /nfs/dbraw/zinc/04/22/37/576042237.db2.gz JJXOFRPUQICCQM-UHFFFAOYSA-N -2 3 299.265 1.964 20 0 CDADHL O=C(Nc1c([O-])cccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000738138785 576042239 /nfs/dbraw/zinc/04/22/39/576042239.db2.gz JJXOFRPUQICCQM-UHFFFAOYSA-N -2 3 299.265 1.964 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)CC[C@@H]1CC1(Cl)Cl ZINC001601994563 1175104177 /nfs/dbraw/zinc/10/41/77/1175104177.db2.gz FFSZEPBZCAFBHV-SSDOTTSWSA-N -2 3 284.139 1.873 20 0 CDADHL O=C([O-])c1csc(NC(=O)c2cccc3n[n-]nc32)c1 ZINC000833784868 605763106 /nfs/dbraw/zinc/76/31/06/605763106.db2.gz QXTQQVWFTCSFME-UHFFFAOYSA-N -2 3 288.288 1.970 20 0 CDADHL CC(C)[C@H](NC(=O)[O-])C(=O)Nc1ncccc1[O-] ZINC000833509318 606067113 /nfs/dbraw/zinc/06/71/13/606067113.db2.gz KSWRKDMHOCTGHS-QMMMGPOBSA-N -2 3 253.258 1.018 20 0 CDADHL CC[C@H](C)CO[N-]C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000908352853 628151684 /nfs/dbraw/zinc/15/16/84/628151684.db2.gz MPDNDXJPIGZGMW-QMMMGPOBSA-N -2 3 265.313 1.767 20 0 CDADHL CN(CCC(=O)[O-])C(=O)CCCc1ccc([O-])c(F)c1 ZINC000909168282 628557580 /nfs/dbraw/zinc/55/75/80/628557580.db2.gz QFTHKJZVPCRRIX-UHFFFAOYSA-N -2 3 283.299 1.787 20 0 CDADHL CC(C)(CNC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909279662 628610536 /nfs/dbraw/zinc/61/05/36/628610536.db2.gz LJPAINVACJGSKB-UHFFFAOYSA-N -2 3 269.272 1.301 20 0 CDADHL O=C([O-])CCCC(=O)NCc1ccc([O-])c(F)c1 ZINC000909921600 628775519 /nfs/dbraw/zinc/77/55/19/628775519.db2.gz AAYUQMLXYDYJFL-UHFFFAOYSA-N -2 3 255.245 1.402 20 0 CDADHL O=C([O-])[C@H]1[C@H](O)CCCN1C(=O)c1cc([O-])ccc1Cl ZINC000911640103 629360922 /nfs/dbraw/zinc/36/09/22/629360922.db2.gz WRWUAJRZPGNQLS-GHMZBOCLSA-N -2 3 299.710 1.096 20 0 CDADHL O=C([O-])C12CCC(C(=O)[N-]OCC3CC3)(CC1)CC2 ZINC000911810422 629542401 /nfs/dbraw/zinc/54/24/01/629542401.db2.gz OTAOLORESSUNHS-UHFFFAOYSA-N -2 3 267.325 1.869 20 0 CDADHL C[C@@H]1[C@H](C(=O)[O-])CCN1Cc1c(F)ccc([O-])c1F ZINC001604638222 1163262363 /nfs/dbraw/zinc/26/23/63/1163262363.db2.gz VZPHEUOIRLSSGX-HTQZYQBOSA-N -2 3 271.263 1.965 20 0 CDADHL C[C@@H](O)[C@H](NC(=O)c1cc2sccc2c([O-])c1)C(=O)[O-] ZINC001607424651 1164176280 /nfs/dbraw/zinc/17/62/80/1164176280.db2.gz DRWMUMCIHPXGEO-KBUNVGBDSA-N -2 3 295.316 1.171 20 0 CDADHL O=C([O-])c1cnc(NCCc2c(F)cc([O-])cc2F)nc1 ZINC001608977913 1164701929 /nfs/dbraw/zinc/70/19/29/1164701929.db2.gz LDBWCTPGKXAQTH-UHFFFAOYSA-N -2 3 295.245 1.813 20 0 CDADHL COc1ccc([C@H]([N-]C(=O)C(F)F)C(=O)[O-])cc1Cl ZINC001610322678 1165290054 /nfs/dbraw/zinc/29/00/54/1165290054.db2.gz ZCQQOERWWBYXNV-QMMMGPOBSA-N -2 3 293.653 1.856 20 0 CDADHL Cc1cc(-c2nnn[n-]2)cc(NCC2(C(=O)[O-])CCC2)n1 ZINC001591858112 1173722891 /nfs/dbraw/zinc/72/28/91/1173722891.db2.gz MXVBLECSTJRDNT-UHFFFAOYSA-N -2 3 288.311 1.237 20 0 CDADHL Cc1cc(-c2nn[n-]n2)cc(NCC2(C(=O)[O-])CCC2)n1 ZINC001591858112 1173722899 /nfs/dbraw/zinc/72/28/99/1173722899.db2.gz MXVBLECSTJRDNT-UHFFFAOYSA-N -2 3 288.311 1.237 20 0 CDADHL Cc1nc(C(C)C)[n-]c(=O)c1C(=O)[N-]OCCCC(=O)[O-] ZINC001600688284 1174565457 /nfs/dbraw/zinc/56/54/57/1174565457.db2.gz OZWRIBITLZRKPQ-UHFFFAOYSA-N -3 3 297.311 1.140 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]CC[C@@H](C)F)cc1C(=O)[O-] ZINC001600857340 1174636856 /nfs/dbraw/zinc/63/68/56/1174636856.db2.gz IAJXQEQIBQOOCZ-ZCFIWIBFSA-N -2 3 279.289 1.313 20 0 CDADHL O=C([O-])CN(C(=O)c1cc(=O)[n-]cn1)C1CCCCC1 ZINC001602051376 1175119017 /nfs/dbraw/zinc/11/90/17/1175119017.db2.gz FCKDGGRSNFKYFL-UHFFFAOYSA-N -2 3 279.296 1.042 20 0 CDADHL O=C([O-])Cn1cc([N-]S(=O)(=O)C2=CCCCC2)cn1 ZINC001602163818 1175148237 /nfs/dbraw/zinc/14/82/37/1175148237.db2.gz QMEBRIKPDOJYMV-UHFFFAOYSA-N -2 3 285.325 1.167 20 0 CDADHL O=C([O-])[C@H](OC(=O)c1cccc2nn[n-]c21)c1ccccc1 ZINC001602600405 1175317435 /nfs/dbraw/zinc/31/74/35/1175317435.db2.gz DSZJPVOSHXCDQQ-CYBMUJFWSA-N -2 3 297.270 1.941 20 0 CDADHL O=C([O-])[C@H](OC(=O)c1cccc2n[n-]nc21)c1ccccc1 ZINC001602600405 1175317438 /nfs/dbraw/zinc/31/74/38/1175317438.db2.gz DSZJPVOSHXCDQQ-CYBMUJFWSA-N -2 3 297.270 1.941 20 0 CDADHL CC(C)O[N-]C(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001603356912 1175548366 /nfs/dbraw/zinc/54/83/66/1175548366.db2.gz LIPOTKPTNDXHDJ-UHFFFAOYSA-N -2 3 287.323 1.355 20 0 CDADHL CC(C)O[N-]C(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001603356912 1175548370 /nfs/dbraw/zinc/54/83/70/1175548370.db2.gz LIPOTKPTNDXHDJ-UHFFFAOYSA-N -2 3 287.323 1.355 20 0 CDADHL CCCN(CC(=O)[O-])C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC001603661706 1175590265 /nfs/dbraw/zinc/59/02/65/1175590265.db2.gz GADHGQTVHMKKTB-UHFFFAOYSA-N -2 3 294.307 1.287 20 0 CDADHL C[C@H]1CCc2c(=O)n(Cc3ccc(-c4nn[n-]n4)cc3)[n-]c21 ZINC001603880603 1175668624 /nfs/dbraw/zinc/66/86/24/1175668624.db2.gz GKGBYCAYWPNQOC-JOYOIKCWSA-N -2 3 296.334 1.611 20 0 CDADHL CC[C@@H](CNc1nc(-c2nnn[n-]2)ccc1C)C(=O)[O-] ZINC001604038949 1175729835 /nfs/dbraw/zinc/72/98/35/1175729835.db2.gz AFQGGGOCILUQTL-QMMMGPOBSA-N -2 3 276.300 1.093 20 0 CDADHL CCc1[n-]n(Cc2ccc(-c3nn[n-]n3)cc2)c(=O)c1C ZINC001604093538 1175755675 /nfs/dbraw/zinc/75/56/75/1175755675.db2.gz IBUSBUDAAKVHJR-VIFPVBQESA-N -2 3 284.323 1.611 20 0 CDADHL CC(C)c1ccc(C(=O)NC2(C(=O)[O-])CC2)c([O-])c1 ZINC001609719508 1165055105 /nfs/dbraw/zinc/05/51/05/1165055105.db2.gz OUZGKTFFWKKQKH-UHFFFAOYSA-N -2 3 263.293 1.863 20 0 CDADHL Cc1nc(C)c(C(=O)[N-]c2nc(C(=O)[O-])ns2)o1 ZINC001610553147 1165352012 /nfs/dbraw/zinc/35/20/12/1165352012.db2.gz QDESUHJZMXSSHV-UHFFFAOYSA-N -2 3 268.254 1.093 20 0 CDADHL C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871993367 776576215 /nfs/dbraw/zinc/57/62/15/776576215.db2.gz MFORKNYIZLFXPJ-PSASIEDQSA-N -2 3 287.337 1.835 20 0 CDADHL CSc1nc(=O)[n-]c(C)c1C(=O)[N-]OC(C)C ZINC000383225514 777407369 /nfs/dbraw/zinc/40/73/69/777407369.db2.gz AMWPZMJIPWOWFL-UHFFFAOYSA-N -2 3 257.315 1.282 20 0 CDADHL CC(C)C[C@@H](CNC(=O)c1ccc(N)cc1[O-])C(=O)[O-] ZINC000849365990 778863049 /nfs/dbraw/zinc/86/30/49/778863049.db2.gz JBDQUNNQEXHXTP-VIFPVBQESA-N -2 3 280.324 1.451 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)Cc1cc(F)c(F)cc1F ZINC001601994441 1167814277 /nfs/dbraw/zinc/81/42/77/1167814277.db2.gz BEZQDFLZYHYBOG-UHFFFAOYSA-N -2 3 291.225 1.559 20 0 CDADHL CCOC(=O)c1cnc(=O)[n-]c1O[C@@H](C)C1=CC=C[CH]1 ZINC001225898464 904435511 /nfs/dbraw/zinc/43/55/11/904435511.db2.gz ARFXGXHKHBWGEM-VIFPVBQESA-N -2 3 275.284 1.827 20 0 CDADHL O=C(NCCP(=O)([O-])[O-])Nc1cccc(Cl)c1 ZINC001202249638 926502098 /nfs/dbraw/zinc/50/20/98/926502098.db2.gz WKNYMOMYRCLRNP-UHFFFAOYSA-N -2 3 278.632 1.639 20 0 CDADHL CCOc1ccc(NC(=O)NCCP(=O)([O-])[O-])cc1 ZINC001202910892 936607540 /nfs/dbraw/zinc/60/75/40/936607540.db2.gz CQGYMKSVGFHSIM-UHFFFAOYSA-N -2 3 288.240 1.385 20 0 CDADHL C[C@@H]1COCC[C@@H]1OCCCCP(=O)([O-])[O-] ZINC001225019311 941814697 /nfs/dbraw/zinc/81/46/97/941814697.db2.gz CJFBQSIGXAUKHQ-ZJUUUORDSA-N -2 3 252.247 1.386 20 0 CDADHL NC(=O)c1ccc([N-]S(=O)(=O)CC2CCC2)c([O-])c1 ZINC001193523977 923773554 /nfs/dbraw/zinc/77/35/54/923773554.db2.gz SNAAXLAPULLQSP-UHFFFAOYSA-N -2 3 284.337 1.033 20 0 CDADHL CC(C)c1oncc1C(=O)NCCCCP(=O)([O-])[O-] ZINC001199748389 925842557 /nfs/dbraw/zinc/84/25/57/925842557.db2.gz XVHXPWYKFSAQTP-UHFFFAOYSA-N -2 3 290.256 1.486 20 0 CDADHL O=P([O-])([O-])CCNC(=S)NC1CCCCCC1 ZINC001199976146 925940057 /nfs/dbraw/zinc/94/00/57/925940057.db2.gz NWRKXGMOJMYNKR-UHFFFAOYSA-N -2 3 280.330 1.351 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1cnc2[nH]ccc2c1 ZINC001151018548 937263501 /nfs/dbraw/zinc/26/35/01/937263501.db2.gz YZELRUJCNJEMPV-UHFFFAOYSA-N -2 3 297.251 1.202 20 0 CDADHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1nccc(Cl)c1F ZINC001412374133 932397126 /nfs/dbraw/zinc/39/71/26/932397126.db2.gz HITIQQPZTUDWGO-UHFFFAOYSA-N -2 3 298.661 1.005 20 0 CDADHL O=C([O-])[C@]1(NC(=O)Cc2ccc([O-])c(F)c2)CCSC1 ZINC000909347223 939397212 /nfs/dbraw/zinc/39/72/12/939397212.db2.gz BZNHCJPPUFDQJF-ZDUSSCGKSA-N -2 3 299.323 1.150 20 0 CDADHL O=C([O-])c1cnc(F)c(Nc2cnc[n-]c2=O)c1 ZINC001215124054 940859180 /nfs/dbraw/zinc/85/91/80/940859180.db2.gz BYTSZTFSNXPRQZ-UHFFFAOYSA-N -2 3 250.189 1.158 20 0 CDADHL NC(=O)c1ccc(Nc2ccsc2C(=O)[O-])cc1[O-] ZINC001215397882 940883383 /nfs/dbraw/zinc/88/33/83/940883383.db2.gz RBFAUQUKKSHQPE-UHFFFAOYSA-N -2 3 278.289 1.994 20 0 CDADHL CO[C@@H](C)CO[C@H](C)COc1nc2ncnc-2c([S-])[n-]1 ZINC001226782025 942069327 /nfs/dbraw/zinc/06/93/27/942069327.db2.gz ONUHIXFXTPUCBU-JGVFFNPUSA-N -2 3 298.368 1.460 20 0 CDADHL O=c1nc(O[C@H]2CCc3ccccc3C2)[n-]c(=O)[n-]1 ZINC001227569471 942190776 /nfs/dbraw/zinc/19/07/76/942190776.db2.gz BLYIBNCEENIPMW-JTQLQIEISA-N -2 3 259.265 1.219 20 0 CDADHL O=C([O-])c1ccc(-c2cncc(-c3nnn[n-]3)c2)s1 ZINC001240846911 946058326 /nfs/dbraw/zinc/05/83/26/946058326.db2.gz BWBYEPRVILVWRC-UHFFFAOYSA-N -2 3 273.277 1.688 20 0 CDADHL O=C([O-])c1ccc(-c2cncc(-c3nn[n-]n3)c2)s1 ZINC001240846911 946058339 /nfs/dbraw/zinc/05/83/39/946058339.db2.gz BWBYEPRVILVWRC-UHFFFAOYSA-N -2 3 273.277 1.688 20 0 CDADHL Cc1ccc(C(=O)[O-])cc1-c1cncc(-c2nnn[n-]2)c1 ZINC001241003053 946143291 /nfs/dbraw/zinc/14/32/91/946143291.db2.gz RCJQYLFGWKRIBG-UHFFFAOYSA-N -2 3 281.275 1.935 20 0 CDADHL Cc1ccc(C(=O)[O-])cc1-c1cncc(-c2nn[n-]n2)c1 ZINC001241003053 946143294 /nfs/dbraw/zinc/14/32/94/946143294.db2.gz RCJQYLFGWKRIBG-UHFFFAOYSA-N -2 3 281.275 1.935 20 0 CDADHL O=C([O-])c1cnc(F)c(-c2ccc(=S)[n-]n2)c1 ZINC001244758510 947459771 /nfs/dbraw/zinc/45/97/71/947459771.db2.gz PAZASTVVLLSXBP-UHFFFAOYSA-N -2 3 251.242 1.665 20 0 CDADHL O=C([O-])c1cnc(F)c(-c2ccc(Cc3nnn[n-]3)cc2)c1 ZINC001244761913 947461834 /nfs/dbraw/zinc/46/18/34/947461834.db2.gz BYLKJUZYVZVNTI-UHFFFAOYSA-N -2 3 299.265 1.690 20 0 CDADHL O=C([O-])c1cnc(F)c(-c2ccc(Cc3nn[n-]n3)cc2)c1 ZINC001244761913 947461842 /nfs/dbraw/zinc/46/18/42/947461842.db2.gz BYLKJUZYVZVNTI-UHFFFAOYSA-N -2 3 299.265 1.690 20 0 CDADHL Cc1cc(=O)[n-]c(CNC(=O)c2c([O-])cccc2F)n1 ZINC001362882231 971692959 /nfs/dbraw/zinc/69/29/59/971692959.db2.gz BKZBCRZJQWULKJ-UHFFFAOYSA-N -2 3 277.255 1.265 20 0 CDADHL CCOc1nc(NC(=O)C(CC)(CC)C(=O)[O-])n[n-]1 ZINC001593060909 951397623 /nfs/dbraw/zinc/39/76/23/951397623.db2.gz QAGKVKUJTKNCNF-UHFFFAOYSA-N -2 3 270.289 1.033 20 0 CDADHL CCOc1n[n-]c(NC(=O)C(CC)(CC)C(=O)[O-])n1 ZINC001593060909 951397633 /nfs/dbraw/zinc/39/76/33/951397633.db2.gz QAGKVKUJTKNCNF-UHFFFAOYSA-N -2 3 270.289 1.033 20 0 CDADHL CSc1ccc(C(=O)NCc2nc([O-])cc(=O)[n-]2)o1 ZINC001363329793 972090014 /nfs/dbraw/zinc/09/00/14/972090014.db2.gz VKLQKOZSFQLCFT-UHFFFAOYSA-N -2 3 281.293 1.133 20 0 CDADHL C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1ccc(O)cc1[O-] ZINC000092916804 958182871 /nfs/dbraw/zinc/18/28/71/958182871.db2.gz JOHWETXKJIDNMT-APPZFPTMSA-N -2 3 265.265 1.033 20 0 CDADHL O=C([O-])C1CN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000236417018 960567222 /nfs/dbraw/zinc/56/72/22/960567222.db2.gz LLNOYFFPPGHORN-UHFFFAOYSA-N -2 3 255.657 1.202 20 0 CDADHL CC(C)C[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)C(=O)[O-] ZINC001588905482 962263127 /nfs/dbraw/zinc/26/31/27/962263127.db2.gz YKDFQHUSOMCOMM-JTQLQIEISA-N -2 3 293.323 1.289 20 0 CDADHL O=C([O-])[C@@]12COC[C@@H]1CN(Cc1c(F)ccc([O-])c1F)C2 ZINC001549336922 968141333 /nfs/dbraw/zinc/14/13/33/968141333.db2.gz ALUIFTJKIFYZHC-RTHLEPHNSA-N -2 3 299.273 1.203 20 0 CDADHL O=C([O-])C[C@H](CNC(=O)c1c([O-])cccc1O)C1CC1 ZINC000690515120 976314104 /nfs/dbraw/zinc/31/41/04/976314104.db2.gz RCMRVCXVKCRMRI-SECBINFHSA-N -2 3 279.292 1.329 20 0 CDADHL C/C(=C\C[N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000692486204 976505775 /nfs/dbraw/zinc/50/57/75/976505775.db2.gz CYPOGCJUEUCKRI-QPJJXVBHSA-N -2 3 291.275 1.274 20 0 CDADHL C[C@@](CCF)(NC(=O)c1cc(F)cc2n[n-]nc21)C(=O)[O-] ZINC001592498575 978313625 /nfs/dbraw/zinc/31/36/25/978313625.db2.gz ZFNNVNHXWZQNKM-LBPRGKRZSA-N -2 3 298.249 1.030 20 0 CDADHL CCO[N-]C(=O)CNCc1cc(C(=O)[O-])ccc1Cl ZINC001596968427 986182992 /nfs/dbraw/zinc/18/29/92/986182992.db2.gz MGUKZVGBHUGNFI-UHFFFAOYSA-N -2 3 286.715 1.196 20 0 CDADHL COc1cccc2c(C(=O)OCCCCC(=O)[O-])n[n-]c21 ZINC001599689801 991050356 /nfs/dbraw/zinc/05/03/56/991050356.db2.gz STRAQAORTWPVGC-UHFFFAOYSA-N -2 3 292.291 1.983 20 0 CDADHL COc1nscc1[N-]C(=O)c1csc(C(=O)[O-])n1 ZINC001599743980 991903183 /nfs/dbraw/zinc/90/31/83/991903183.db2.gz VZPBYVMJTHVCHU-UHFFFAOYSA-N -2 3 285.306 1.559 20 0 CDADHL Cc1ccc([O-])c(C(=O)Nc2cn(C)cc2C(=O)[O-])c1 ZINC001574156314 1170899822 /nfs/dbraw/zinc/89/98/22/1170899822.db2.gz CIOSGTKCBUSCNK-UHFFFAOYSA-N -2 3 274.276 1.990 20 0 CDADHL CCCS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1F ZINC000095831336 185029489 /nfs/dbraw/zinc/02/94/89/185029489.db2.gz DWKKHBFUQXVMMQ-UHFFFAOYSA-N -2 3 261.274 1.676 20 0 CDADHL COCC1(S(=O)(=O)[N-]c2c([O-])cccc2Cl)CC1 ZINC000641687142 365730721 /nfs/dbraw/zinc/73/07/21/365730721.db2.gz IPRAPAKZKAQQPN-UHFFFAOYSA-N -2 3 291.756 1.966 20 0 CDADHL CS[C@@H](C)C[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000596087643 343233510 /nfs/dbraw/zinc/23/35/10/343233510.db2.gz JBJOMZYMNFKVDH-ZETCQYMHSA-N -2 3 293.366 1.316 20 0 CDADHL CCc1c(C)[n-]n(-c2cn[n-]c(=O)c2Cl)c1=O ZINC000614186162 348028882 /nfs/dbraw/zinc/02/88/82/348028882.db2.gz WJYVIOOLLNYZNN-ZCFIWIBFSA-N -2 3 254.677 1.584 20 0 CDADHL COc1cccc(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)c1[O-] ZINC000111249492 186376727 /nfs/dbraw/zinc/37/67/27/186376727.db2.gz NUGJTXDMAWKSOX-PSASIEDQSA-N -2 3 279.292 1.194 20 0 CDADHL CC[C@@](C)(NC(=O)c1ccc(C)cc1[O-])C(=O)[O-] ZINC000094218653 358652058 /nfs/dbraw/zinc/65/20/58/358652058.db2.gz ZRCWDIYMWXULOO-CYBMUJFWSA-N -2 3 251.282 1.684 20 0 CDADHL Cc1cccc(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)c1[O-] ZINC000095343736 358682866 /nfs/dbraw/zinc/68/28/66/358682866.db2.gz OYSXGIQJLVXCGY-SECBINFHSA-N -2 3 275.312 1.089 20 0 CDADHL Cc1cccc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c1[O-] ZINC000095343736 358682869 /nfs/dbraw/zinc/68/28/69/358682869.db2.gz OYSXGIQJLVXCGY-SECBINFHSA-N -2 3 275.312 1.089 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CCC[C@H](C)[C@H]2C(=O)[O-])n1 ZINC000424273615 359987016 /nfs/dbraw/zinc/98/70/16/359987016.db2.gz TZXAEQFXCGHASL-ZANVPECISA-N -2 3 279.340 1.430 20 0 CDADHL CCCCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000092114064 360265677 /nfs/dbraw/zinc/26/56/77/360265677.db2.gz MBHDHGFOAPJLPB-UHFFFAOYSA-N -2 3 289.328 1.992 20 0 CDADHL O=C(Cc1cccc(C(F)F)c1)N=c1ccc([O-])n[n-]1 ZINC000448394636 363920335 /nfs/dbraw/zinc/92/03/35/363920335.db2.gz CRKLRAGPGHJVQT-UHFFFAOYSA-N -2 3 279.246 1.723 20 0 CDADHL O=C([O-])C[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000340450179 370912584 /nfs/dbraw/zinc/91/25/84/370912584.db2.gz HHKZCEPIUQYIGG-UHFFFAOYSA-N -2 3 299.735 1.856 20 0 CDADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]CC(=O)[O-])c1Cl ZINC000340234992 368885774 /nfs/dbraw/zinc/88/57/74/368885774.db2.gz IYERKVLEBLTCPX-UHFFFAOYSA-N -2 3 298.147 1.665 20 0 CDADHL COCCCO[N-]C(=O)c1c(F)ccc([O-])c1F ZINC000287697840 369282240 /nfs/dbraw/zinc/28/22/40/369282240.db2.gz FONMCIDBULVWBP-UHFFFAOYSA-N -2 3 261.224 1.368 20 0 CDADHL O=C(C[C@@H]1C[C@H]1c1ccccc1)N=c1ccc([O-])n[n-]1 ZINC000341684384 373897367 /nfs/dbraw/zinc/89/73/67/373897367.db2.gz LTTYNZUVAJNSPT-RYUDHWBXSA-N -2 3 269.304 1.736 20 0 CDADHL CO[C@@H](CS(=O)(=O)[N-]c1cc(F)ccc1[O-])C(C)C ZINC000647128214 390487459 /nfs/dbraw/zinc/48/74/59/390487459.db2.gz VAAPYQNRZMXGET-LBPRGKRZSA-N -2 3 291.344 1.944 20 0 CDADHL COc1ccsc1S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C ZINC000261682233 391676662 /nfs/dbraw/zinc/67/66/62/391676662.db2.gz LUJFLBCYCNKDKU-QMMMGPOBSA-N -2 3 293.366 1.144 20 0 CDADHL COc1ccc([O-])c(C(=O)Nc2c(C)[n-][nH]c2=O)c1 ZINC000647816834 391806011 /nfs/dbraw/zinc/80/60/11/391806011.db2.gz XJQOUHUYPSKBHI-UHFFFAOYSA-N -2 3 263.253 1.390 20 0 CDADHL Cn1ncnc1[N-]C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000192238348 393156629 /nfs/dbraw/zinc/15/66/29/393156629.db2.gz OVTQMRXWYCYQAV-UHFFFAOYSA-N -2 3 267.676 1.818 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@H](C)C(=O)[O-])c(Cl)cc1F ZINC000261622205 140365144 /nfs/dbraw/zinc/36/51/44/140365144.db2.gz CJVCDCSJZLGGBX-ZCFIWIBFSA-N -2 3 295.719 1.539 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CC[C@@H](C(=O)[O-])[C@@H]2C)n1 ZINC000518782783 397988985 /nfs/dbraw/zinc/98/89/85/397988985.db2.gz MBWVBUCBQWUBEQ-WCBMZHEXSA-N -2 3 265.313 1.040 20 0 CDADHL CC[C@H](C)[C@H](NC(=O)c1ccccc1[O-])C(=O)[O-] ZINC000021959090 171342489 /nfs/dbraw/zinc/34/24/89/171342489.db2.gz HWPMXBDSDKMBHS-KWQFWETISA-N -2 3 251.282 1.621 20 0 CDADHL CC[C@H](C)CC[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000656715716 413594742 /nfs/dbraw/zinc/59/47/42/413594742.db2.gz AAACGYITZYANLG-ZETCQYMHSA-N -2 3 292.382 1.556 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]C[C@H]2CC2(C)C)oc1C(=O)[O-] ZINC000663423603 414242861 /nfs/dbraw/zinc/24/28/61/414242861.db2.gz XLBYEAJLRSIOKC-MRVPVSSYSA-N -2 3 287.337 1.611 20 0 CDADHL CC1(C)C[C@@]1(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000663446499 414258463 /nfs/dbraw/zinc/25/84/63/414258463.db2.gz NEFHSYPHHMOZIF-LLVKDONJSA-N -2 3 289.378 1.913 20 0 CDADHL CCC[C@@](C)([N-]S(=O)(=O)c1cncc(F)c1)C(=O)[O-] ZINC000044260669 175156675 /nfs/dbraw/zinc/15/66/75/175156675.db2.gz JXXVMEXSCRVYCS-LLVKDONJSA-N -2 3 290.316 1.142 20 0 CDADHL CC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(OC)ccc1[O-] ZINC000044613266 175217865 /nfs/dbraw/zinc/21/78/65/175217865.db2.gz FIXGFNMSDYDSTK-JTQLQIEISA-N -2 3 267.281 1.336 20 0 CDADHL O=C(Nc1ccc([O-])c(C(F)(F)F)c1)c1nc(=O)[nH][n-]1 ZINC000134124976 279765366 /nfs/dbraw/zinc/76/53/66/279765366.db2.gz HZVYEJDVYIIDBN-UHFFFAOYSA-N -2 3 288.185 1.075 20 0 CDADHL Cc1ccc(C(=O)NCC2(C(=O)[O-])CCC2)c([O-])c1 ZINC000138509991 279856428 /nfs/dbraw/zinc/85/64/28/279856428.db2.gz DYKJFWZSKITYJU-UHFFFAOYSA-N -2 3 263.293 1.685 20 0 CDADHL Cc1nc(C[N-]S(=O)(=O)c2ccoc2)ccc1C(=O)[O-] ZINC000556776008 290296740 /nfs/dbraw/zinc/29/67/40/290296740.db2.gz SIRIHUDQCGWRFC-UHFFFAOYSA-N -2 3 296.304 1.160 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CC[C@](C)(C(=O)[O-])C2)n1 ZINC000563290323 293336012 /nfs/dbraw/zinc/33/60/12/293336012.db2.gz SNAXJCBDHPXEJC-ZDUSSCGKSA-N -2 3 265.313 1.041 20 0 CDADHL Cc1csc(S(=O)(=O)[N-][C@@H](C)[C@@H](C)C(=O)[O-])c1 ZINC000568361525 294020270 /nfs/dbraw/zinc/02/02/70/294020270.db2.gz ZOSOFAWUGJDJCA-SFYZADRCSA-N -2 3 277.367 1.444 20 0 CDADHL CCC(CC)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000568623368 294070008 /nfs/dbraw/zinc/07/00/08/294070008.db2.gz NRAWWVRJFWZBOP-UHFFFAOYSA-N -2 3 275.326 1.753 20 0 CDADHL CCCCOCC(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001590608174 1173474272 /nfs/dbraw/zinc/47/42/72/1173474272.db2.gz GPLBIQLVZDTKDU-UHFFFAOYSA-N -2 3 291.311 1.093 20 0 CDADHL CCCCOCC(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001590608174 1173474275 /nfs/dbraw/zinc/47/42/75/1173474275.db2.gz GPLBIQLVZDTKDU-UHFFFAOYSA-N -2 3 291.311 1.093 20 0 CDADHL O=C(N=c1ccc([O-])n[n-]1)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000361956886 303706500 /nfs/dbraw/zinc/70/65/00/303706500.db2.gz HDVFSQHUOIMCBF-GHMZBOCLSA-N -2 3 273.267 1.485 20 0 CDADHL CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000577107035 317266988 /nfs/dbraw/zinc/26/69/88/317266988.db2.gz ZYLAMEQGYKULAS-JGVFFNPUSA-N -2 3 275.326 1.691 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@@H](CC2CC2)C(=O)[O-])o1 ZINC000578446316 323934919 /nfs/dbraw/zinc/93/49/19/323934919.db2.gz MUPGKIRACLZDES-VIFPVBQESA-N -2 3 273.310 1.120 20 0 CDADHL CC(C)CN(CC(=O)[O-])C(=O)c1ccc2n[n-]nc2c1 ZINC000062742257 519711473 /nfs/dbraw/zinc/71/14/73/519711473.db2.gz KHYYJVRQGDHMMJ-UHFFFAOYSA-N -2 3 276.296 1.141 20 0 CDADHL CCCC[C@H]([N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000262327762 535066592 /nfs/dbraw/zinc/06/65/92/535066592.db2.gz DPQCWXSPJRLFLG-QMMMGPOBSA-N -2 3 261.299 1.201 20 0 CDADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C)C(F)F ZINC000414326909 535927879 /nfs/dbraw/zinc/92/78/79/535927879.db2.gz NZTGEDSTDRQVND-LURJTMIESA-N -2 3 297.279 1.608 20 0 CDADHL O=C([O-])c1cccc(NC(=O)[N-]O[C@H]2CCCCO2)c1 ZINC001601563793 1174900043 /nfs/dbraw/zinc/90/00/43/1174900043.db2.gz RAKISNILBQLVCY-NSHDSACASA-N -2 3 280.280 1.965 20 0 CDADHL O=C(CNC(=O)c1ccc([O-])cc1)[N-]OC1CCCC1 ZINC000774875167 575247899 /nfs/dbraw/zinc/24/78/99/575247899.db2.gz KNDWHFCRUSDVOG-UHFFFAOYSA-N -2 3 278.308 1.112 20 0 CDADHL CC(C)(C)C(=O)[N-]OCc1noc(CCCC(=O)[O-])n1 ZINC000736241390 575597618 /nfs/dbraw/zinc/59/76/18/575597618.db2.gz OAGJYAJGQLCTJK-UHFFFAOYSA-N -2 3 285.300 1.071 20 0 CDADHL CCN(CCC(=O)[O-])Cn1[n-]c(C(C)(C)C)nc1=S ZINC000737096877 575818892 /nfs/dbraw/zinc/81/88/92/575818892.db2.gz SHZCTTXQZSHOBU-UHFFFAOYSA-N -2 3 286.401 1.992 20 0 CDADHL Cc1cc(Cl)cc(NC(=O)CNC(=O)[O-])c1[O-] ZINC000738234063 576052081 /nfs/dbraw/zinc/05/20/81/576052081.db2.gz TVBYUQFFHCQSDN-UHFFFAOYSA-N -2 3 258.661 1.560 20 0 CDADHL O=C([O-])[C@H]1CSCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC001601858802 1175040160 /nfs/dbraw/zinc/04/01/60/1175040160.db2.gz XQXFWMMZKKYSBA-SNVBAGLBSA-N -2 3 299.323 1.102 20 0 CDADHL CSc1nc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)n[n-]1 ZINC000832798803 600917433 /nfs/dbraw/zinc/91/74/33/600917433.db2.gz MLPLGCJMPVWFQM-NKWVEPMBSA-N -2 3 284.341 1.356 20 0 CDADHL O=C([O-])CCCCCCCN=c1ncnc2[nH][n-]cc1-2 ZINC000833225496 601864422 /nfs/dbraw/zinc/86/44/22/601864422.db2.gz WUCCVLLUDJHSHN-UHFFFAOYSA-N -2 3 277.328 1.564 20 0 CDADHL CCCCN(C)S(=O)(=O)[N-]c1cc(C(=O)[O-])cs1 ZINC000829381337 602116974 /nfs/dbraw/zinc/11/69/74/602116974.db2.gz OSVCLYVJOKJENW-UHFFFAOYSA-N -2 3 292.382 1.835 20 0 CDADHL CC[C@@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)C(=O)[O-] ZINC000820411601 605053148 /nfs/dbraw/zinc/05/31/48/605053148.db2.gz VKGMHDBIKLYVCI-MRVPVSSYSA-N -2 3 283.280 1.002 20 0 CDADHL CC(C)(C)OCC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694193393 605199257 /nfs/dbraw/zinc/19/92/57/605199257.db2.gz WQBSQYYIYNFBNW-UHFFFAOYSA-N -2 3 291.325 1.071 20 0 CDADHL O=C([N-]O[C@H]1CCCCO1)c1cnc(C2CC2)[n-]c1=O ZINC000900468609 623101986 /nfs/dbraw/zinc/10/19/86/623101986.db2.gz XOMWFGCKDZANTE-JTQLQIEISA-N -2 3 279.296 1.248 20 0 CDADHL C[C@@]1(C(=O)[O-])CCCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000909839220 628703570 /nfs/dbraw/zinc/70/35/70/628703570.db2.gz GXRKBHLFKIMFOS-OAHLLOKOSA-N -2 3 295.310 1.787 20 0 CDADHL CC1(C(=O)[O-])CN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000910058638 628851284 /nfs/dbraw/zinc/85/12/84/628851284.db2.gz ZCRXACGXOROHMZ-UHFFFAOYSA-N -2 3 295.310 1.787 20 0 CDADHL O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)c1cc([O-])ccc1Cl ZINC000910443507 629069446 /nfs/dbraw/zinc/06/94/46/629069446.db2.gz UZSDCCMVGCZQDD-WKEGUHRASA-N -2 3 287.674 1.683 20 0 CDADHL CC(C)C[C@H](NC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000910461923 629079482 /nfs/dbraw/zinc/07/94/82/629079482.db2.gz FAVWTMMKSSKLCD-NSHDSACASA-N -2 3 283.299 1.689 20 0 CDADHL CC(C)O[N-]C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000911809752 629541419 /nfs/dbraw/zinc/54/14/19/629541419.db2.gz MUJRYKDTBBGOMK-UHFFFAOYSA-N -2 3 251.282 1.774 20 0 CDADHL CCC[C@H](CNc1cccc(-c2nnn[n-]2)n1)C(=O)[O-] ZINC001604144308 1163105963 /nfs/dbraw/zinc/10/59/63/1163105963.db2.gz PIRKIGWIPUPINZ-MRVPVSSYSA-N -2 3 276.300 1.175 20 0 CDADHL CCCS(=O)(=O)[N-]c1cc(C)c(C(=O)[O-])cn1 ZINC001605347251 1163530931 /nfs/dbraw/zinc/53/09/31/1163530931.db2.gz FCZTWHFROVKANT-UHFFFAOYSA-N -2 3 258.299 1.240 20 0 CDADHL Cn1nc(C(=O)[O-])cc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC001608144628 1164425090 /nfs/dbraw/zinc/42/50/90/1164425090.db2.gz JICWDTHTUMMVHN-UHFFFAOYSA-N -2 3 295.682 1.730 20 0 CDADHL O=C([O-])c1ccc2c(c1)N(C(=O)c1cc(=O)[n-]cn1)CC2 ZINC001608924225 1164684846 /nfs/dbraw/zinc/68/48/46/1164684846.db2.gz SBKYULDUCKXQLN-UHFFFAOYSA-N -2 3 285.259 1.083 20 0 CDADHL CC[C@H](Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)[O-] ZINC000095273609 1166615261 /nfs/dbraw/zinc/61/52/61/1166615261.db2.gz JMYSAFZZSBPLSF-QMMMGPOBSA-N -2 3 265.248 1.281 20 0 CDADHL C[C@H](CN(C)c1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001589845956 1173190007 /nfs/dbraw/zinc/19/00/07/1173190007.db2.gz FPRPURXIHVJQMM-SSDOTTSWSA-N -2 3 279.275 1.163 20 0 CDADHL C[C@H](CN(C)c1ccc(F)cc1-c1nn[n-]n1)C(=O)[O-] ZINC001589845956 1173190011 /nfs/dbraw/zinc/19/00/11/1173190011.db2.gz FPRPURXIHVJQMM-SSDOTTSWSA-N -2 3 279.275 1.163 20 0 CDADHL Cc1nocc1NC(=O)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001592465787 1173896407 /nfs/dbraw/zinc/89/64/07/1173896407.db2.gz BQPPRMXDMMTIAY-UHFFFAOYSA-N -2 3 286.251 1.121 20 0 CDADHL O=C([O-])[C@@H]1CCC[C@@H]1Nc1ncc(-c2nnn[n-]2)cc1F ZINC001593279503 1174048247 /nfs/dbraw/zinc/04/82/47/1174048247.db2.gz OPRUDMDCJGALNA-APPZFPTMSA-N -2 3 292.274 1.066 20 0 CDADHL O=C([O-])[C@@H]1CCC[C@@H]1Nc1ncc(-c2nn[n-]n2)cc1F ZINC001593279503 1174048257 /nfs/dbraw/zinc/04/82/57/1174048257.db2.gz OPRUDMDCJGALNA-APPZFPTMSA-N -2 3 292.274 1.066 20 0 CDADHL Cc1ccc([O-])c(CN2CCc3[nH]nc(C(=O)[O-])c3C2)n1 ZINC001600465043 1174484559 /nfs/dbraw/zinc/48/45/59/1174484559.db2.gz OPDNFWDTBQGAKX-UHFFFAOYSA-N -2 3 288.307 1.075 20 0 CDADHL Cc1nc2c(c(=O)[n-]1)CN([C@H](C)c1ccc(C(=O)[O-])o1)C2 ZINC001600718459 1174578898 /nfs/dbraw/zinc/57/88/98/1174578898.db2.gz QHWGYCPTMIOOPA-SSDOTTSWSA-N -2 3 289.291 1.859 20 0 CDADHL O=C([O-])c1coc(C(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC001602550624 1175291204 /nfs/dbraw/zinc/29/12/04/1175291204.db2.gz GSIZVEONRAWKGZ-UHFFFAOYSA-N -2 3 299.246 1.410 20 0 CDADHL O=C([O-])c1coc(C(=O)Nc2ccccc2-c2nn[n-]n2)c1 ZINC001602550624 1175291212 /nfs/dbraw/zinc/29/12/12/1175291212.db2.gz GSIZVEONRAWKGZ-UHFFFAOYSA-N -2 3 299.246 1.410 20 0 CDADHL CC[C@H](CNc1nc(-c2nnn[n-]2)ccc1C)C(=O)[O-] ZINC001604038948 1175728189 /nfs/dbraw/zinc/72/81/89/1175728189.db2.gz AFQGGGOCILUQTL-MRVPVSSYSA-N -2 3 276.300 1.093 20 0 CDADHL O=C([O-])COc1ccccc1CN[C@H]1C=C[C@@H](C(=O)[O-])C1 ZINC001608765639 1164631212 /nfs/dbraw/zinc/63/12/12/1164631212.db2.gz NRVLJOFDXCBBLN-PWSUYJOCSA-N -2 3 291.303 1.269 20 0 CDADHL CC(F)(F)C[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC001609755119 1165068467 /nfs/dbraw/zinc/06/84/67/1165068467.db2.gz WVQOYOXHORWFOF-UHFFFAOYSA-N -2 3 297.254 1.457 20 0 CDADHL Cc1nc(Nc2ccc(C(=O)[O-])s2)cc(=O)[n-]1 ZINC001174806267 913359201 /nfs/dbraw/zinc/35/92/01/913359201.db2.gz YOMIZMIYUKDLGM-UHFFFAOYSA-N -2 3 251.267 1.994 20 0 CDADHL COc1nc(Nc2c(F)ccc([O-])c2F)cc(=O)[n-]1 ZINC001175263430 913517871 /nfs/dbraw/zinc/51/78/71/913517871.db2.gz ULCHJUMUFCEMNJ-UHFFFAOYSA-N -2 3 269.207 1.918 20 0 CDADHL C[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694233748 898208252 /nfs/dbraw/zinc/20/82/52/898208252.db2.gz VZKFTFPNZWOHIH-QMMMGPOBSA-N -2 3 299.304 1.480 20 0 CDADHL O=C([O-])C1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000236413781 898366491 /nfs/dbraw/zinc/36/64/91/898366491.db2.gz NFELIDCHBPCVAK-UHFFFAOYSA-N -2 3 283.711 1.982 20 0 CDADHL O=P([O-])([O-])CCCCO[C@@H]1CCn2ccnc21 ZINC001225022834 911600336 /nfs/dbraw/zinc/60/03/36/911600336.db2.gz SJSIGSCKDHRICZ-SECBINFHSA-N -2 3 260.230 1.302 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1cccc([S-])c1 ZINC001186162511 919897334 /nfs/dbraw/zinc/89/73/34/919897334.db2.gz BFUMBKWDOMJJLN-UHFFFAOYSA-N -3 3 289.293 1.663 20 0 CDADHL C[C@H](OCCCCP(=O)([O-])[O-])c1ncccn1 ZINC001225023532 941815860 /nfs/dbraw/zinc/81/58/60/941815860.db2.gz XIJISVGBUAARAT-VIFPVBQESA-N -2 3 260.230 1.512 20 0 CDADHL CCCCCCNC(=O)NCCP(=O)([O-])[O-] ZINC001191989711 922838227 /nfs/dbraw/zinc/83/82/27/922838227.db2.gz CTQUQYQKIWWKHI-UHFFFAOYSA-N -2 3 252.251 1.044 20 0 CDADHL O=C(Nc1ncccc1[O-])c1cnc(C(F)(F)F)[n-]1 ZINC001194770364 924349747 /nfs/dbraw/zinc/34/97/47/924349747.db2.gz HBPDBVBNLOAWQZ-UHFFFAOYSA-N -2 3 272.186 1.781 20 0 CDADHL Cc1cc[nH]c1C(=O)NCCCCP(=O)([O-])[O-] ZINC001195499998 924632104 /nfs/dbraw/zinc/63/21/04/924632104.db2.gz PCZKNQNIDSSAID-UHFFFAOYSA-N -2 3 260.230 1.011 20 0 CDADHL C=CS(=O)(=O)[N-]c1cc(C(=O)OC)ccc1[O-] ZINC001198609045 925474430 /nfs/dbraw/zinc/47/44/30/925474430.db2.gz OMYYFBKXNKJSSZ-UHFFFAOYSA-N -2 3 257.267 1.064 20 0 CDADHL O=Nc1c(=O)[n-]c(=O)[nH]c1Nc1cc(C(=O)[O-])cnc1F ZINC001215124207 940859396 /nfs/dbraw/zinc/85/93/96/940859396.db2.gz GHCVUBRBCGJMQY-UHFFFAOYSA-N -2 3 295.186 1.262 20 0 CDADHL Cc1cn2c(n1)[C@@H](OCCP(=O)([O-])[O-])CCC2 ZINC001224600895 941774509 /nfs/dbraw/zinc/77/45/09/941774509.db2.gz BQEJVSVASJRIRE-VIFPVBQESA-N -2 3 260.230 1.221 20 0 CDADHL C=CC(=O)OC[C@H](C)Oc1nc2ncnc-2c([S-])[n-]1 ZINC001226784724 942069258 /nfs/dbraw/zinc/06/92/58/942069258.db2.gz IBBIORXSRAJJAN-LURJTMIESA-N -2 3 280.309 1.138 20 0 CDADHL O=c1nc(O[C@H]2CCOc3ccccc32)[n-]c(=O)[n-]1 ZINC001227566511 942189603 /nfs/dbraw/zinc/18/96/03/942189603.db2.gz GXKAQIBFADKFOF-VIFPVBQESA-N -2 3 261.237 1.185 20 0 CDADHL C[C@H]1CCC[C@H](C)C1Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233938195 943694940 /nfs/dbraw/zinc/69/49/40/943694940.db2.gz BCKNLLFLDYUTEU-YUMQZZPRSA-N -2 3 262.313 1.850 20 0 CDADHL COc1cccc(S(=O)(=O)[N-]c2cncc([O-])c2)c1 ZINC001259183478 945498229 /nfs/dbraw/zinc/49/82/29/945498229.db2.gz LTJZDUXIQAPCQS-UHFFFAOYSA-N -2 3 280.305 1.597 20 0 CDADHL COCCS(=O)(=O)[N-]c1c([O-])ccc2ccccc21 ZINC001259971929 945766705 /nfs/dbraw/zinc/76/67/05/945766705.db2.gz WNQGDDGAXBHKFK-UHFFFAOYSA-N -2 3 281.333 1.934 20 0 CDADHL Cc1cc(-c2nnn[n-]2)ccc1-c1cncc(C(=O)[O-])c1 ZINC001241803168 946477348 /nfs/dbraw/zinc/47/73/48/946477348.db2.gz NSMQZQJAWQFEJC-UHFFFAOYSA-N -2 3 281.275 1.935 20 0 CDADHL Cc1cc(-c2nn[n-]n2)ccc1-c1cncc(C(=O)[O-])c1 ZINC001241803168 946477354 /nfs/dbraw/zinc/47/73/54/946477354.db2.gz NSMQZQJAWQFEJC-UHFFFAOYSA-N -2 3 281.275 1.935 20 0 CDADHL CC(=O)c1cc(C(=O)NCc2nc([O-])cc(=O)[n-]2)cs1 ZINC001363039960 971838476 /nfs/dbraw/zinc/83/84/76/971838476.db2.gz QDNYQCGQCPMLPB-UHFFFAOYSA-N -2 3 293.304 1.082 20 0 CDADHL C[C@@H]1CCN(C(=O)c2ccc(O)cc2[O-])C[C@H]1C(=O)[O-] ZINC000693496631 954762623 /nfs/dbraw/zinc/76/26/23/954762623.db2.gz PVOITWCTMFYRIS-LDYMZIIASA-N -2 3 279.292 1.281 20 0 CDADHL C[C@@H]1CCN(C(=O)c2c([O-])cccc2O)C[C@@H]1C(=O)[O-] ZINC000693495716 954762714 /nfs/dbraw/zinc/76/27/14/954762714.db2.gz LPAVCCRXKIVXSF-BDAKNGLRSA-N -2 3 279.292 1.281 20 0 CDADHL COc1cc(C(=O)OCCCC(=O)[O-])cc(OC)c1[O-] ZINC001594050432 957980110 /nfs/dbraw/zinc/98/01/10/957980110.db2.gz CDCQHRMDEDHRMA-UHFFFAOYSA-N -2 3 284.264 1.431 20 0 CDADHL C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000230401287 960148267 /nfs/dbraw/zinc/14/82/67/960148267.db2.gz UGSNMMLTBKSUOW-DTWKUNHWSA-N -2 3 287.337 1.692 20 0 CDADHL CC(C)([N-]C(=O)C(F)(F)c1nccs1)C(=O)[O-] ZINC001588786896 961350903 /nfs/dbraw/zinc/35/09/03/961350903.db2.gz YWTXOFYROAZYCS-UHFFFAOYSA-N -2 3 264.253 1.214 20 0 CDADHL CSc1ccc([O-])c(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c1 ZINC000868444869 969337977 /nfs/dbraw/zinc/33/79/77/969337977.db2.gz HRRNRFALOCLIII-OCAPTIKFSA-N -2 3 281.333 1.707 20 0 CDADHL O=C([O-])c1cc(C(=O)[N-]c2cccc(F)c2F)on1 ZINC000394249268 972691474 /nfs/dbraw/zinc/69/14/74/972691474.db2.gz ZDMDCDCQDYCYLG-UHFFFAOYSA-N -2 3 268.175 1.903 20 0 CDADHL O=C([O-])c1ccccc1CC(=O)[N-]OCc1ccccn1 ZINC001605719511 974151113 /nfs/dbraw/zinc/15/11/13/974151113.db2.gz DPYLEBRPIXWZCU-UHFFFAOYSA-N -2 3 286.287 1.570 20 0 CDADHL CC(C)c1ncc(C(=O)[N-]c2n[nH]c(CC(=O)[O-])n2)s1 ZINC001592034236 976751642 /nfs/dbraw/zinc/75/16/42/976751642.db2.gz XESHQZPEVJMFGO-UHFFFAOYSA-N -2 3 295.324 1.264 20 0 CDADHL O=C([O-])c1ncoc1CNC(=O)c1cc([O-])ccc1Cl ZINC000720751086 978060864 /nfs/dbraw/zinc/06/08/64/978060864.db2.gz FTPLQUPUXPKYAL-UHFFFAOYSA-N -2 3 296.666 1.662 20 0 CDADHL C[C@](CCF)(NC(=O)c1cc2c(cc1[O-])OCO2)C(=O)[O-] ZINC001592497998 978305399 /nfs/dbraw/zinc/30/53/99/978305399.db2.gz LTWYLGVVCHVVDG-CYBMUJFWSA-N -2 3 299.254 1.054 20 0 CDADHL Cc1n[n-]cc1C(=O)O[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001599968993 985969839 /nfs/dbraw/zinc/96/98/39/985969839.db2.gz BCSIYSZCMBAKIQ-LBPRGKRZSA-N -2 3 274.276 1.571 20 0 CDADHL CC(=O)c1cccc(NC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)c1[O-] ZINC001589311145 986092886 /nfs/dbraw/zinc/09/28/86/986092886.db2.gz JTWFLPKUEXEYPH-DTORHVGOSA-N -2 3 277.276 1.644 20 0 CDADHL CC[C@@H]([N-]S(=O)(=O)c1cncc(C(=O)[O-])c1)C(F)F ZINC001605104559 1163452949 /nfs/dbraw/zinc/45/29/49/1163452949.db2.gz GPMSICIJMJXYCP-MRVPVSSYSA-N -2 3 294.279 1.102 20 0 CDADHL CCOC(=O)c1ncc(NC(=O)c2ccccc2[O-])[n-]1 ZINC000617872247 342481691 /nfs/dbraw/zinc/48/16/91/342481691.db2.gz OUWQEOSDRHVWPJ-UHFFFAOYSA-N -2 3 275.264 1.544 20 0 CDADHL CCOC(=O)c1nc(NC(=O)c2ccccc2[O-])c[n-]1 ZINC000617872247 342481692 /nfs/dbraw/zinc/48/16/92/342481692.db2.gz OUWQEOSDRHVWPJ-UHFFFAOYSA-N -2 3 275.264 1.544 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)c(F)c1F ZINC000629301278 361822903 /nfs/dbraw/zinc/82/29/03/361822903.db2.gz FCXGDFFRGXKXQH-UHFFFAOYSA-N -2 3 291.275 1.169 20 0 CDADHL COc1ccc([N-]S(=O)(=O)C[C@@H](C)OC)c([O-])c1 ZINC000337882542 539066245 /nfs/dbraw/zinc/06/62/45/539066245.db2.gz ZFZIZSMEQFEFFN-MRVPVSSYSA-N -2 3 275.326 1.177 20 0 CDADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000011889674 365821973 /nfs/dbraw/zinc/82/19/73/365821973.db2.gz ZQHIPEVNDCYPIU-RXMQYKEDSA-N -2 3 283.758 1.543 20 0 CDADHL O=C([O-])c1ccccc1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000273383442 192134427 /nfs/dbraw/zinc/13/44/27/192134427.db2.gz GLDUARPOBVVNEA-SNVBAGLBSA-N -2 3 299.348 1.696 20 0 CDADHL CCC[C@@H](NC(=O)c1cc(F)ccc1[O-])c1nnn[n-]1 ZINC000271220980 191010919 /nfs/dbraw/zinc/01/09/19/191010919.db2.gz CQAYPJQVJZMZES-SECBINFHSA-N -2 3 279.275 1.316 20 0 CDADHL CCC[C@@H](NC(=O)c1cc(F)ccc1[O-])c1nn[n-]n1 ZINC000271220980 191010922 /nfs/dbraw/zinc/01/09/22/191010922.db2.gz CQAYPJQVJZMZES-SECBINFHSA-N -2 3 279.275 1.316 20 0 CDADHL Cc1ccc([O-])c(C(=O)N[C@@H](C(=O)[O-])C(C)C)c1 ZINC000019266853 356478539 /nfs/dbraw/zinc/47/85/39/356478539.db2.gz UZFHNKFSLZYLQM-LLVKDONJSA-N -2 3 251.282 1.540 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC23CC3)o1 ZINC000634654190 356643891 /nfs/dbraw/zinc/64/38/91/356643891.db2.gz ZUAWOGQGFXTXHY-VIFPVBQESA-N -2 3 285.321 1.589 20 0 CDADHL Cc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000263365812 357447953 /nfs/dbraw/zinc/44/79/53/357447953.db2.gz TVNHYFJSWRNIIY-MNOVXSKESA-N -2 3 277.320 1.883 20 0 CDADHL CC[C@](C)(C[N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000217098516 358979255 /nfs/dbraw/zinc/97/92/55/358979255.db2.gz BPRUFFZAJIVSPR-GFCCVEGCSA-N -2 3 289.328 1.605 20 0 CDADHL CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000634824518 359412026 /nfs/dbraw/zinc/41/20/26/359412026.db2.gz WIUUEHUKYVVRKV-NXEZZACHSA-N -2 3 267.256 1.827 20 0 CDADHL Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)[N-]OC(C)C ZINC000297361632 200162044 /nfs/dbraw/zinc/16/20/44/200162044.db2.gz YYBDCHKQVYHVMB-UHFFFAOYSA-N -2 3 267.329 1.858 20 0 CDADHL O=C(CSc1n[n-]c(=S)s1)[N-]C1=NCCS1 ZINC000266968834 363701551 /nfs/dbraw/zinc/70/15/51/363701551.db2.gz QRUGHAVQBWVOHE-UHFFFAOYSA-N -2 3 292.436 1.138 20 0 CDADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2CCSC2)c1 ZINC000231345768 360448575 /nfs/dbraw/zinc/44/85/75/360448575.db2.gz WDZBRSPKTVAFNA-SSDOTTSWSA-N -2 3 293.391 1.230 20 0 CDADHL Cc1csc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2C(=O)[O-])c1 ZINC000564797103 361408068 /nfs/dbraw/zinc/40/80/68/361408068.db2.gz PFHQUKFLAAEOMS-DTWKUNHWSA-N -2 3 289.378 1.588 20 0 CDADHL O=c1cc(/C=C/c2cc([O-])cc(F)c2)nc2nc[n-]n21 ZINC000436925591 361610164 /nfs/dbraw/zinc/61/01/64/361610164.db2.gz CIGFPDUBPPZGFG-OWOJBTEDSA-N -2 3 272.239 1.433 20 0 CDADHL CC(C)[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000034937903 364183512 /nfs/dbraw/zinc/18/35/12/364183512.db2.gz HZFUMUOPRQZEDN-SSDOTTSWSA-N -2 3 277.367 1.769 20 0 CDADHL Cc1ncc(CN=c2nc(CC(C)C)[n-]s2)c(=O)[n-]1 ZINC000358633760 367831213 /nfs/dbraw/zinc/83/12/13/367831213.db2.gz LHTCEQTZRYMGEH-UHFFFAOYSA-N -2 3 279.369 1.575 20 0 CDADHL CC[C@@](C)([N-]S(=O)(=O)c1sc(C)nc1C)C(=O)[O-] ZINC000567381696 370974450 /nfs/dbraw/zinc/97/44/50/370974450.db2.gz DRRZCIAJVASXPY-SNVBAGLBSA-N -2 3 292.382 1.292 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](C(=O)[O-])C2)o1 ZINC000567471740 371002233 /nfs/dbraw/zinc/00/22/33/371002233.db2.gz YNARDCPGLSGFHZ-DTWKUNHWSA-N -2 3 273.310 1.120 20 0 CDADHL CCOC(=O)c1ccc(NC(=O)[C@H](C)C(=O)[O-])c([O-])c1 ZINC000575049535 295091992 /nfs/dbraw/zinc/09/19/92/295091992.db2.gz FQUDMEXXOBZNQU-ZETCQYMHSA-N -2 3 281.264 1.228 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2C)cc1C(=O)[O-] ZINC000516968708 392801851 /nfs/dbraw/zinc/80/18/51/392801851.db2.gz ZJDHKJLYGRKEMN-XPUUQOCRSA-N -2 3 273.310 1.221 20 0 CDADHL O=S(=O)([N-]c1cccc([O-])c1F)c1cn[nH]c1 ZINC000131545879 393051414 /nfs/dbraw/zinc/05/14/14/393051414.db2.gz PAGWYKISSGAPIM-UHFFFAOYSA-N -2 3 257.246 1.055 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]CCCC2CC2)c1 ZINC000656179330 413075570 /nfs/dbraw/zinc/07/55/70/413075570.db2.gz FGGXOCJJMRHCRU-UHFFFAOYSA-N -2 3 273.310 1.446 20 0 CDADHL CCn1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cn1 ZINC000349102444 154051608 /nfs/dbraw/zinc/05/16/08/154051608.db2.gz AIYDXWAOHDXDNK-PLNGDYQASA-N -2 3 288.307 1.505 20 0 CDADHL Cc1ncccc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000349108536 154053317 /nfs/dbraw/zinc/05/33/17/154053317.db2.gz LMJLFJKCDIZNMD-WAYWQWQTSA-N -2 3 285.303 1.992 20 0 CDADHL O=C(N=c1ccc([O-])n[n-]1)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000361956896 159023966 /nfs/dbraw/zinc/02/39/66/159023966.db2.gz HDVFSQHUOIMCBF-MNOVXSKESA-N -2 3 273.267 1.485 20 0 CDADHL CC(C)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000037326216 173127137 /nfs/dbraw/zinc/12/71/37/173127137.db2.gz AVXAWCNFZRWZJT-JTQLQIEISA-N -2 3 293.291 1.352 20 0 CDADHL C[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C(=O)[O-] ZINC000071494071 176191274 /nfs/dbraw/zinc/19/12/74/176191274.db2.gz XMXAWFHHUZDIFB-BYPYZUCNSA-N -2 3 299.135 1.140 20 0 CDADHL Cc1oc(C[N-]S(=O)(=O)c2ccoc2)cc1C(=O)[O-] ZINC000556774860 290296687 /nfs/dbraw/zinc/29/66/87/290296687.db2.gz GZHFPXKUHHONDK-UHFFFAOYSA-N -2 3 285.277 1.358 20 0 CDADHL C[C@@H]([C@@H]([N-]S(=O)(=O)c1ccco1)C(=O)[O-])C1CC1 ZINC000558686781 290416813 /nfs/dbraw/zinc/41/68/13/290416813.db2.gz VFGFVDTUQRUJML-GMSGAONNSA-N -2 3 273.310 1.057 20 0 CDADHL O=C(N=c1ccc([O-])n[n-]1)[C@@H]1CCCN1c1ccccc1 ZINC000370527602 295588073 /nfs/dbraw/zinc/58/80/73/295588073.db2.gz JYDLICMXICGVOX-LBPRGKRZSA-N -2 3 284.319 1.212 20 0 CDADHL Cc1cc(=NC(=O)c2ccc([O-])cc2[O-])[nH]n1C(C)C ZINC000421728910 301057769 /nfs/dbraw/zinc/05/77/69/301057769.db2.gz KJPJDZBFJRQCTG-UHFFFAOYSA-N -2 3 275.308 1.858 20 0 CDADHL Cc1c(F)cc(S(=O)(=O)[N-]CC(F)F)cc1C(=O)[O-] ZINC000579361370 324168843 /nfs/dbraw/zinc/16/88/43/324168843.db2.gz SWIHESKZLDYHGB-UHFFFAOYSA-N -2 3 297.254 1.376 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CC23CC3)c(F)c1 ZINC000582893710 325064220 /nfs/dbraw/zinc/06/42/20/325064220.db2.gz FMHQXOVVPDMGQG-VIFPVBQESA-N -2 3 299.323 1.602 20 0 CDADHL NC(=O)c1cccc(-c2nc3ccc([O-])cc3c(=O)[n-]2)c1 ZINC000679272539 483321334 /nfs/dbraw/zinc/32/13/34/483321334.db2.gz UPIWVMTZFDHMRY-UHFFFAOYSA-N -2 3 281.271 1.807 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C(C2CC2)C2CC2)o1 ZINC000049235803 526381833 /nfs/dbraw/zinc/38/18/33/526381833.db2.gz HDNKQRKENSEDJH-UHFFFAOYSA-N -2 3 285.321 1.445 20 0 CDADHL O=C(Nc1ncccc1[O-])c1cc(C(F)(F)F)n[n-]1 ZINC000339341720 527522394 /nfs/dbraw/zinc/52/23/94/527522394.db2.gz FNNKMGFUGDNDDP-UHFFFAOYSA-N -2 3 272.186 1.781 20 0 CDADHL CCC[C@H]([N-]S(=O)(=O)c1sc(C)nc1C)C(=O)[O-] ZINC000262664495 535706138 /nfs/dbraw/zinc/70/61/38/535706138.db2.gz MUKWFMMCLVQFPU-QMMMGPOBSA-N -2 3 292.382 1.292 20 0 CDADHL COc1ccc([O-])c(C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000261637813 536818603 /nfs/dbraw/zinc/81/86/03/536818603.db2.gz IKCUCAAZPHNUCE-MWLCHTKSSA-N -2 3 293.319 1.584 20 0 CDADHL Cc1ccc([O-])c(NC(=O)c2ccoc2CC(=O)[O-])n1 ZINC001600467292 1174485651 /nfs/dbraw/zinc/48/56/51/1174485651.db2.gz OWKZPLJXSIJJSF-UHFFFAOYSA-N -2 3 276.248 1.568 20 0 CDADHL Cc1nc[n-]c(=O)c1CCC(=O)OCC1(CC(=O)[O-])CC1 ZINC001600732641 1174581780 /nfs/dbraw/zinc/58/17/80/1174581780.db2.gz WCBJNOZOVDWKEQ-UHFFFAOYSA-N -2 3 294.307 1.221 20 0 CDADHL O=C([O-])[C@@H](O)CCNC(=O)c1cc2sccc2c([O-])c1 ZINC001601510052 1174887903 /nfs/dbraw/zinc/88/79/03/1174887903.db2.gz TXYNLKDPZUSNOL-VIFPVBQESA-N -2 3 295.316 1.172 20 0 CDADHL Cc1ccc(-c2cc(C(=O)OCc3n[nH]c(=O)[n-]3)[n-]n2)o1 ZINC000774925151 575252328 /nfs/dbraw/zinc/25/23/28/575252328.db2.gz WKFLROSDRPCQES-UHFFFAOYSA-N -2 3 289.251 1.159 20 0 CDADHL Cc1ccc(-c2cc(C(=O)OCc3n[nH]c(=O)[n-]3)n[n-]2)o1 ZINC000774925151 575252331 /nfs/dbraw/zinc/25/23/31/575252331.db2.gz WKFLROSDRPCQES-UHFFFAOYSA-N -2 3 289.251 1.159 20 0 CDADHL CN(CCCC(=O)NCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000737426242 575963067 /nfs/dbraw/zinc/96/30/67/575963067.db2.gz AXSHCWXNRDDGBQ-UHFFFAOYSA-N -2 3 284.287 1.538 20 0 CDADHL O=C([O-])CNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000738610334 576095337 /nfs/dbraw/zinc/09/53/37/576095337.db2.gz RSPYVIALGIZAEC-UHFFFAOYSA-N -2 3 299.326 1.992 20 0 CDADHL O=C([O-])CSCCC(=O)Nc1ccccc1[O-] ZINC000739853236 576390607 /nfs/dbraw/zinc/39/06/07/576390607.db2.gz OOBUKECAYVQRBH-UHFFFAOYSA-N -2 3 255.295 1.539 20 0 CDADHL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)ccn1 ZINC000092349006 600519790 /nfs/dbraw/zinc/51/97/90/600519790.db2.gz WVRDISMGVPZOKI-UHFFFAOYSA-N -2 3 292.316 1.889 20 0 CDADHL COc1cc(C(=O)N[C@@H](C(=O)[O-])C2CC2)cc(OC)c1[O-] ZINC000833727148 605051566 /nfs/dbraw/zinc/05/15/66/605051566.db2.gz QLTPIPNHQWWHOB-LLVKDONJSA-N -2 3 295.291 1.002 20 0 CDADHL C[C@H](C(=O)[O-])N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC000908984013 628456284 /nfs/dbraw/zinc/45/62/84/628456284.db2.gz FGRUTJCJEVJHQF-SSDOTTSWSA-N -2 3 255.245 1.005 20 0 CDADHL O=C([O-])[C@]1(F)CCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000909306765 628623464 /nfs/dbraw/zinc/62/34/64/628623464.db2.gz XDXQUAIKYAMOCW-LBPRGKRZSA-N -2 3 287.674 1.684 20 0 CDADHL COc1ccccc1OC[C@@H](C)OCCP(=O)([O-])[O-] ZINC001224601634 1160779176 /nfs/dbraw/zinc/77/91/76/1160779176.db2.gz IUEQSRKRQWZIED-SNVBAGLBSA-N -2 3 290.252 1.657 20 0 CDADHL CCC[C@@H](CC)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001605212361 1163488704 /nfs/dbraw/zinc/48/87/04/1163488704.db2.gz XGRCIUXEZYCPKV-MRVPVSSYSA-N -2 3 275.326 1.835 20 0 CDADHL CCOC[C@H](C(=O)[O-])N(C)C(=O)c1cccc(CC)c1[O-] ZINC001605622619 1163626022 /nfs/dbraw/zinc/62/60/22/1163626022.db2.gz UNEGYUWZNUJEFT-GFCCVEGCSA-N -2 3 295.335 1.516 20 0 CDADHL COC(C)(C)[C@H](C)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001606652407 1163944620 /nfs/dbraw/zinc/94/46/20/1163944620.db2.gz ACXQJRFUXZZRGN-ZETCQYMHSA-N -2 3 291.325 1.070 20 0 CDADHL O=C([O-])C12CC(C(=O)Nc3cccc(-c4nnn[n-]4)c3)(C1)C2 ZINC001608583148 1164556481 /nfs/dbraw/zinc/55/64/81/1164556481.db2.gz WDWYCERBCMEWCD-UHFFFAOYSA-N -2 3 299.290 1.060 20 0 CDADHL O=C([O-])C12CC(C(=O)Nc3cccc(-c4nn[n-]n4)c3)(C1)C2 ZINC001608583148 1164556488 /nfs/dbraw/zinc/55/64/88/1164556488.db2.gz WDWYCERBCMEWCD-UHFFFAOYSA-N -2 3 299.290 1.060 20 0 CDADHL O=C([O-])C1(CNC(=O)c2cccc3n[n-]nc32)CCCC1 ZINC001610689016 1165407400 /nfs/dbraw/zinc/40/74/00/1165407400.db2.gz HYBREGCMWZQDQP-UHFFFAOYSA-N -2 3 288.307 1.333 20 0 CDADHL O=C([O-])CCS(=O)(=O)[N-]c1cccc2[nH]ccc21 ZINC001610775217 1165438711 /nfs/dbraw/zinc/43/87/11/1165438711.db2.gz JIILLQYSGOBDRV-UHFFFAOYSA-N -2 3 268.294 1.384 20 0 CDADHL O=C([O-])c1cncc(-c2ccccc2-c2nnn[n-]2)c1 ZINC000095237040 1166614172 /nfs/dbraw/zinc/61/41/72/1166614172.db2.gz XKUSQDNFKPFWGF-UHFFFAOYSA-N -2 3 267.248 1.627 20 0 CDADHL O=C([O-])c1cncc(-c2ccccc2-c2nn[n-]n2)c1 ZINC000095237040 1166614173 /nfs/dbraw/zinc/61/41/73/1166614173.db2.gz XKUSQDNFKPFWGF-UHFFFAOYSA-N -2 3 267.248 1.627 20 0 CDADHL O=C([O-])C[C@@H](NC(=O)c1ccccc1[O-])c1ccncc1 ZINC001574358727 1170956724 /nfs/dbraw/zinc/95/67/24/1170956724.db2.gz XNGCVEBERLOXQD-GFCCVEGCSA-N -2 3 286.287 1.733 20 0 CDADHL CC[C@H](Nc1cccc(F)c1-c1nnn[n-]1)C(=O)[O-] ZINC001590868874 1173534376 /nfs/dbraw/zinc/53/43/76/1173534376.db2.gz NCBNEGJEGLDAAS-ZETCQYMHSA-N -2 3 265.248 1.281 20 0 CDADHL CC[C@H](Nc1cccc(F)c1-c1nn[n-]n1)C(=O)[O-] ZINC001590868874 1173534379 /nfs/dbraw/zinc/53/43/79/1173534379.db2.gz NCBNEGJEGLDAAS-ZETCQYMHSA-N -2 3 265.248 1.281 20 0 CDADHL Cc1c2c(nc3ccc(-c4nnn[n-]4)cc13)C[C@H](C(=O)[O-])C2 ZINC001591830456 1173712528 /nfs/dbraw/zinc/71/25/28/1173712528.db2.gz IYQVKVIOBYRVCZ-SECBINFHSA-N -2 3 295.302 1.523 20 0 CDADHL Cc1c2c(nc3ccc(-c4nn[n-]n4)cc13)C[C@H](C(=O)[O-])C2 ZINC001591830456 1173712531 /nfs/dbraw/zinc/71/25/31/1173712531.db2.gz IYQVKVIOBYRVCZ-SECBINFHSA-N -2 3 295.302 1.523 20 0 CDADHL Cc1ccc([O-])c(NC(=O)c2cccc(C(=O)[O-])n2)n1 ZINC001600467475 1174485358 /nfs/dbraw/zinc/48/53/58/1174485358.db2.gz VGUNLJHKFDWCSR-UHFFFAOYSA-N -2 3 273.248 1.441 20 0 CDADHL Cc1nonc1C(=O)[N-]c1nc(C(=O)[O-])c(C2CC2)s1 ZINC001600817844 1174626869 /nfs/dbraw/zinc/62/68/69/1174626869.db2.gz PPIKOCZJCBGHGG-UHFFFAOYSA-N -2 3 294.292 1.662 20 0 CDADHL Cn1cc(CC(=O)[N-]OCCCC(=O)[O-])c2ccccc21 ZINC001600948405 1174672826 /nfs/dbraw/zinc/67/28/26/1174672826.db2.gz PJYDFXAZEOZPRH-UHFFFAOYSA-N -2 3 290.319 1.633 20 0 CDADHL O=C([O-])c1ccc(NC(=O)c2cc(=O)[n-]cn2)s1 ZINC001601600608 1174911638 /nfs/dbraw/zinc/91/16/38/1174911638.db2.gz ZTSDMDFZTKSZGN-UHFFFAOYSA-N -2 3 265.250 1.194 20 0 CDADHL O=C([O-])[C@@H](CCF)[N-]C(=O)C(F)(F)c1nccs1 ZINC001601645528 1174926879 /nfs/dbraw/zinc/92/68/79/1174926879.db2.gz RWGVPDWJBQRXRT-RXMQYKEDSA-N -2 3 282.243 1.164 20 0 CDADHL O=C([O-])[C@@H]1CCC[C@@H](C(=O)NCc2ncccc2[O-])C1 ZINC001601803843 1175014450 /nfs/dbraw/zinc/01/44/50/1175014450.db2.gz UCPDOUCFVFHWEV-NXEZZACHSA-N -2 3 278.308 1.294 20 0 CDADHL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC(F)F ZINC001602363089 1175224083 /nfs/dbraw/zinc/22/40/83/1175224083.db2.gz JEMYCTHNOKRILR-UHFFFAOYSA-N -2 3 299.682 1.582 20 0 CDADHL CSCCO[N-]C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001610382437 1165300768 /nfs/dbraw/zinc/30/07/68/1165300768.db2.gz WIWSFNIFKVXGFK-UHFFFAOYSA-N -2 3 287.381 1.822 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]CCC2CCC2)c1 ZINC000694189176 898166239 /nfs/dbraw/zinc/16/62/39/898166239.db2.gz OEUSPHOQLSZIFP-UHFFFAOYSA-N -2 3 273.310 1.446 20 0 CDADHL O=C([O-])[C@H]1CCCN1C(=O)c1cc([O-])ccc1Cl ZINC000236440415 898376098 /nfs/dbraw/zinc/37/60/98/898376098.db2.gz LDOWSPWLEXEEIK-SNVBAGLBSA-N -2 3 269.684 1.735 20 0 CDADHL CCCN(CC(=O)[O-])C(=O)c1cc([O-])ccc1Cl ZINC000233052499 901767402 /nfs/dbraw/zinc/76/74/02/901767402.db2.gz OLNWJHYVSOUKCB-UHFFFAOYSA-N -2 3 271.700 1.982 20 0 CDADHL O=S(=O)([N-]c1cncc([O-])c1)c1cnc(Cl)nc1 ZINC001185005612 919364898 /nfs/dbraw/zinc/36/48/98/919364898.db2.gz HMIOEBPHEZXTGO-UHFFFAOYSA-N -2 3 286.700 1.031 20 0 CDADHL O=C(NCCP(=O)([O-])[O-])N[C@H]1CCCc2ccccc21 ZINC001186477033 920032718 /nfs/dbraw/zinc/03/27/18/920032718.db2.gz WFCORUYYMKPQBH-LBPRGKRZSA-N -2 3 298.279 1.541 20 0 CDADHL O=C(NCCP(=O)([O-])[O-])Nc1cc(F)cc(F)c1 ZINC001187590544 920577760 /nfs/dbraw/zinc/57/77/60/920577760.db2.gz MVDFVNWZIFWDBZ-UHFFFAOYSA-N -2 3 280.167 1.264 20 0 CDADHL O=C(NCc1ncccc1[O-])c1ccc(F)c(F)c1[O-] ZINC001192810536 923262616 /nfs/dbraw/zinc/26/26/16/923262616.db2.gz JEPLASXGLTURSZ-UHFFFAOYSA-N -2 3 280.230 1.701 20 0 CDADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(F)nc2)c1 ZINC000775676222 924776520 /nfs/dbraw/zinc/77/65/20/924776520.db2.gz AFGYZISAFHRKTF-UHFFFAOYSA-N -2 3 298.295 1.736 20 0 CDADHL Cc1cc(=O)[n-]c(C[N-]C(=O)C(F)(F)C(F)F)n1 ZINC000825669531 925880280 /nfs/dbraw/zinc/88/02/80/925880280.db2.gz SBOLALLFJWBDDY-UHFFFAOYSA-N -2 3 267.182 1.007 20 0 CDADHL CC(C)[C@H](CO)O[N-]C(=O)c1n[n-]c2ccccc2c1=O ZINC000857286425 928690623 /nfs/dbraw/zinc/69/06/23/928690623.db2.gz ALYYYZVJRBYANP-NSHDSACASA-N -2 3 291.307 1.014 20 0 CDADHL CCCC(C)(C)C(=O)NCCCCP(=O)([O-])[O-] ZINC001144123270 931663485 /nfs/dbraw/zinc/66/34/85/931663485.db2.gz IIVYWYVTYMAZAS-UHFFFAOYSA-N -2 3 265.290 1.887 20 0 CDADHL CCOC(=O)c1ccc(NC(=O)CCCC(=O)[O-])c([O-])c1 ZINC001118223389 937604806 /nfs/dbraw/zinc/60/48/06/937604806.db2.gz RHCINUXHKFGJCP-UHFFFAOYSA-N -2 3 295.291 1.762 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@H]1C=CCCC1 ZINC001119066163 937693316 /nfs/dbraw/zinc/69/33/16/937693316.db2.gz SOFKMHBPQWSEJZ-QMMMGPOBSA-N -2 3 271.294 1.365 20 0 CDADHL C[C@@H](COCCP(=O)([O-])[O-])Oc1ccccc1 ZINC001224601778 941774760 /nfs/dbraw/zinc/77/47/60/941774760.db2.gz KSONVJWUXXDTLW-JTQLQIEISA-N -2 3 260.226 1.648 20 0 CDADHL C[C@H](OCCCCP(=O)([O-])[O-])c1cncnc1 ZINC001225018984 941814393 /nfs/dbraw/zinc/81/43/93/941814393.db2.gz NOTXDTZFVVPDNF-VIFPVBQESA-N -2 3 260.230 1.512 20 0 CDADHL COC(=O)c1cnc(=O)[n-]c1O[C@@H](C)C1=CC=C[CH]1 ZINC001229872679 942546527 /nfs/dbraw/zinc/54/65/27/942546527.db2.gz MMTTUOKMTOPIMB-QMMMGPOBSA-N -2 3 261.257 1.437 20 0 CDADHL CCCC[C@H](CC)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233934540 943693095 /nfs/dbraw/zinc/69/30/95/943693095.db2.gz LGTHCKOUMZSIRF-QMMMGPOBSA-N -2 3 250.302 1.994 20 0 CDADHL C[C@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1cnc2ccccn21 ZINC001233933505 943693304 /nfs/dbraw/zinc/69/33/04/943693304.db2.gz CMAXCJULCGYNED-QMMMGPOBSA-N -2 3 296.290 1.434 20 0 CDADHL O=C1CC[C@H](Oc2[n-]c(=O)nc3cn[n-]c32)c2ccccc21 ZINC001233938167 943695215 /nfs/dbraw/zinc/69/52/15/943695215.db2.gz AZDKGSPSDRUBKB-LBPRGKRZSA-N -2 3 296.286 1.743 20 0 CDADHL CC[C@@H](Oc1[n-]c(=O)nc2cn[n-]c21)C(C)(C)C ZINC001233939614 943695427 /nfs/dbraw/zinc/69/54/27/943695427.db2.gz MAQDVTZTQUAQES-MRVPVSSYSA-N -2 3 250.302 1.850 20 0 CDADHL COc1cc(C)ccc1S(=O)(=O)[N-]c1cncc([O-])c1 ZINC001259197029 945505342 /nfs/dbraw/zinc/50/53/42/945505342.db2.gz MCINQFRXKUGOBR-UHFFFAOYSA-N -2 3 294.332 1.905 20 0 CDADHL [CH2]CC[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC001259504230 945584995 /nfs/dbraw/zinc/58/49/95/945584995.db2.gz JHCJPAWVBDQVHV-UHFFFAOYSA-N -2 3 252.237 1.606 20 0 CDADHL [CH2]CC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC001259514614 945585946 /nfs/dbraw/zinc/58/59/46/945585946.db2.gz XTZYWPOJWWPBSU-UHFFFAOYSA-N -2 3 250.702 1.982 20 0 CDADHL Cc1cccc(S(=O)(=O)[N-]c2cncc([O-])c2)c1 ZINC001256868616 948437424 /nfs/dbraw/zinc/43/74/24/948437424.db2.gz BSJYDUUZPACCSR-UHFFFAOYSA-N -2 3 264.306 1.896 20 0 CDADHL CC(=O)c1ccc(C(=O)NCc2nc([O-])cc(=O)[n-]2)s1 ZINC001362715186 971555527 /nfs/dbraw/zinc/55/55/27/971555527.db2.gz DNRFGFHOQZTPOJ-UHFFFAOYSA-N -2 3 293.304 1.082 20 0 CDADHL CCOC(=O)c1cc(NC(=O)CCCCC(=O)[O-])n[n-]1 ZINC001591091809 951059501 /nfs/dbraw/zinc/05/95/01/951059501.db2.gz FYSXDFOSLXFVFI-UHFFFAOYSA-N -2 3 283.284 1.170 20 0 CDADHL CCOC(=O)c1cc(NC(=O)CCCCC(=O)[O-])[n-]n1 ZINC001591091809 951059514 /nfs/dbraw/zinc/05/95/14/951059514.db2.gz FYSXDFOSLXFVFI-UHFFFAOYSA-N -2 3 283.284 1.170 20 0 CDADHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1cc(F)ccc1Cl ZINC001363148795 971926104 /nfs/dbraw/zinc/92/61/04/971926104.db2.gz DCEKIFAEHKKJCZ-UHFFFAOYSA-N -2 3 297.673 1.610 20 0 CDADHL Cc1cccc([O-])c1C(=O)Nc1cc(C(=O)[O-])n[nH]1 ZINC000706595372 954953556 /nfs/dbraw/zinc/95/35/56/954953556.db2.gz SBSCIVMAJJXAAF-UHFFFAOYSA-N -2 3 261.237 1.374 20 0 CDADHL O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1cc(=O)[n-]cn1 ZINC001594962837 955025956 /nfs/dbraw/zinc/02/59/56/955025956.db2.gz JGAFCDNEKAIBPV-CYBMUJFWSA-N -2 3 299.286 1.006 20 0 CDADHL O=C([O-])[C@@H]1CCCN1Cc1ccc([O-])c(F)c1F ZINC001574752852 957724778 /nfs/dbraw/zinc/72/47/78/957724778.db2.gz JXNWCOFKQYBLNX-QMMMGPOBSA-N -2 3 257.236 1.719 20 0 CDADHL C[C@@]1(C(=O)[O-])CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000126023213 958577985 /nfs/dbraw/zinc/57/79/85/958577985.db2.gz PXKUVVNDPAYVSD-CQSZACIVSA-N -2 3 279.292 1.425 20 0 CDADHL COc1ccc(C(=O)N2CCSC[C@H]2C(=O)[O-])c([O-])c1 ZINC000214809771 959741966 /nfs/dbraw/zinc/74/19/66/959741966.db2.gz JXGWWNWPXAFWEG-JTQLQIEISA-N -2 3 297.332 1.043 20 0 CDADHL CC(C)C(C)(C)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000232749869 960295689 /nfs/dbraw/zinc/29/56/89/960295689.db2.gz CSUXDJOILCNFDO-UHFFFAOYSA-N -2 3 289.353 1.938 20 0 CDADHL COc1cccc([O-])c1C(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC000404843204 973754205 /nfs/dbraw/zinc/75/42/05/973754205.db2.gz LVXKENPVWZFNCG-JTQLQIEISA-N -2 3 293.319 1.632 20 0 CDADHL Cc1nc(NC[C@H](CC2CC2)C(=O)[O-])cc(=O)[n-]1 ZINC000405235922 973796048 /nfs/dbraw/zinc/79/60/48/973796048.db2.gz SPXFBLZFNVAICL-VIFPVBQESA-N -2 3 251.286 1.403 20 0 CDADHL COc1cccc([O-])c1C(=O)N[C@@H]1CCC[C@H]1CC(=O)[O-] ZINC000405340710 973835202 /nfs/dbraw/zinc/83/52/02/973835202.db2.gz MQVZPTKMVIYOEI-VHSXEESVSA-N -2 3 293.319 1.774 20 0 CDADHL CC1(C)CC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694190083 976678042 /nfs/dbraw/zinc/67/80/42/976678042.db2.gz UBVDLFOTJPYKHM-QMMMGPOBSA-N -2 3 273.310 1.445 20 0 CDADHL C[C@H](CN(C(=O)c1ccc(N)cc1[O-])C1CC1)C(=O)[O-] ZINC001592562758 978451334 /nfs/dbraw/zinc/45/13/34/978451334.db2.gz KHJHDYSDKIEVSV-MRVPVSSYSA-N -2 3 278.308 1.300 20 0 CDADHL C[C@@H]([N-]S(=O)(=O)c1occc1C(=O)[O-])C1CC1 ZINC000871992816 980024667 /nfs/dbraw/zinc/02/46/67/980024667.db2.gz DXFJCKVJHDGCDD-ZCFIWIBFSA-N -2 3 259.283 1.055 20 0 CDADHL CC[C@@H](C)CO[N-]C(=O)CCCn1ccc(C(=O)[O-])n1 ZINC001594963948 982715964 /nfs/dbraw/zinc/71/59/64/982715964.db2.gz AAESCSSLJFHZSI-SNVBAGLBSA-N -2 3 283.328 1.455 20 0 CDADHL CC(=O)c1ccc(C(=O)NC/C=C(/C)C(=O)[O-])cc1[O-] ZINC001589275433 985982272 /nfs/dbraw/zinc/98/22/72/985982272.db2.gz CHXPCYGOTMANNC-YVMONPNESA-N -2 3 277.276 1.356 20 0 CDADHL CCc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)c([O-])c1 ZINC001597500348 988054638 /nfs/dbraw/zinc/05/46/38/988054638.db2.gz KFHKMMHFDMXRHM-AWEZNQCLSA-N -2 3 295.360 1.645 20 0 CDADHL CC(C)(CS(=O)(=O)[N-]C(C)(C)C(F)F)C(=O)[O-] ZINC001590799349 990628527 /nfs/dbraw/zinc/62/85/27/990628527.db2.gz RKMLMBJNDRJSLB-UHFFFAOYSA-N -2 3 273.301 1.060 20 0 CDADHL CCC1([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])CCC1 ZINC001605146842 1163466370 /nfs/dbraw/zinc/46/63/70/1163466370.db2.gz OVXRADMAPZLKPN-UHFFFAOYSA-N -2 3 287.341 1.027 20 0 CDADHL COc1cc(C(=O)N[C@@H](C)CC(=O)[O-])cc(OC)c1[O-] ZINC001599355319 998169331 /nfs/dbraw/zinc/16/93/31/998169331.db2.gz NAVVLAJRDQLGNB-ZETCQYMHSA-N -2 3 283.280 1.002 20 0 CDADHL CC[C@](C)(NC(=O)c1ccc(C(C)=O)c([O-])c1)C(=O)[O-] ZINC001594846678 1174189084 /nfs/dbraw/zinc/18/90/84/1174189084.db2.gz MAHDPZAIACQSLW-AWEZNQCLSA-N -2 3 279.292 1.578 20 0 CDADHL CC[C@H]1CN(C(=O)c2ccc(O)cc2[O-])C[C@]1(F)C(=O)[O-] ZINC001573824907 1170790110 /nfs/dbraw/zinc/79/01/10/1170790110.db2.gz VGLILGIVZPGNCN-RMLUDKJBSA-N -2 3 297.282 1.373 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCS2)o1 ZINC000149641449 342071347 /nfs/dbraw/zinc/07/13/47/342071347.db2.gz VFXGBHOXDJQJQG-ZETCQYMHSA-N -2 3 291.350 1.152 20 0 CDADHL O=C([O-])C1(NC(=O)c2ccc3n[n-]nc3c2)CCCCC1 ZINC000036978719 356300207 /nfs/dbraw/zinc/30/02/07/356300207.db2.gz OAZPLUKMLYKOQQ-UHFFFAOYSA-N -2 3 288.307 1.475 20 0 CDADHL CSc1nc([N-]S(=O)(=O)Cc2cccc(C)c2)n[n-]1 ZINC000273811940 192316314 /nfs/dbraw/zinc/31/63/14/192316314.db2.gz BBYFISKQDRKOMT-UHFFFAOYSA-N -2 3 298.393 1.777 20 0 CDADHL CCC[C@@H](CNC(=O)c1ccc(C)cc1[O-])C(=O)[O-] ZINC000087488162 358343992 /nfs/dbraw/zinc/34/39/92/358343992.db2.gz KPQCDYVUYUHKAF-JTQLQIEISA-N -2 3 265.309 1.931 20 0 CDADHL CCc1ccc([O-])c(C(=O)NCCCC(=O)[O-])c1 ZINC000263561516 366635272 /nfs/dbraw/zinc/63/52/72/366635272.db2.gz CENQAVBWLKCKPQ-UHFFFAOYSA-N -2 3 251.282 1.549 20 0 CDADHL C[C@@]1(C(=O)[O-])CCN(C(=O)N=c2cc3ccccn3[n-]2)C1 ZINC000516023931 360554356 /nfs/dbraw/zinc/55/43/56/360554356.db2.gz FFDZJNNUSPSWPO-CQSZACIVSA-N -2 3 288.307 1.085 20 0 CDADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2ccco2)c1 ZINC000013305425 361325713 /nfs/dbraw/zinc/32/57/13/361325713.db2.gz YHOUBWALLKYXSU-UHFFFAOYSA-N -2 3 287.318 1.518 20 0 CDADHL COc1cc(/C=C/C(=O)[O-])ccc1[N-]S(=O)(=O)C1CC1 ZINC000276105214 193214714 /nfs/dbraw/zinc/21/47/14/193214714.db2.gz UISFXCSPAWFVKG-XVNBXDOJSA-N -2 3 297.332 1.697 20 0 CDADHL O=C([O-])c1ccccc1[N-]S(=O)(=O)[C@@H]1CCCOC1 ZINC000547588152 369587553 /nfs/dbraw/zinc/58/75/53/369587553.db2.gz DKFXZHFAUCYLKF-SECBINFHSA-N -2 3 285.321 1.306 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]C[C@@H](C)C(=O)[O-])c(F)c1 ZINC000274928047 371197058 /nfs/dbraw/zinc/19/70/58/371197058.db2.gz OGFJMBMCWVLTBH-MRVPVSSYSA-N -2 3 275.301 1.133 20 0 CDADHL CC[C@H](CS(=O)(=O)[N-]c1cccc([O-])c1F)OC ZINC000567101577 372070839 /nfs/dbraw/zinc/07/08/39/372070839.db2.gz ATLDCVUWRWEUND-MRVPVSSYSA-N -2 3 277.317 1.698 20 0 CDADHL C/C=C\C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000573799535 294888547 /nfs/dbraw/zinc/88/85/47/294888547.db2.gz VVGGEKDFVGSLTP-KZUAUGPASA-N -2 3 275.351 1.446 20 0 CDADHL COc1ccc([O-])c(C(=O)N[C@@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000070525188 374666193 /nfs/dbraw/zinc/66/61/93/374666193.db2.gz CDIUHSVVOKRTJU-CMPLNLGQSA-N -2 3 293.319 1.774 20 0 CDADHL COCc1nc(=NC(=O)Cc2ccc([O-])c(F)c2)s[n-]1 ZINC000450554755 251338051 /nfs/dbraw/zinc/33/80/51/251338051.db2.gz FFZLOGNYVMZFCS-UHFFFAOYSA-N -2 3 297.311 1.132 20 0 CDADHL COc1ccc(C(=O)NCCCCC(=O)[O-])c([O-])c1 ZINC000070199792 413047824 /nfs/dbraw/zinc/04/78/24/413047824.db2.gz NXHHIZQRYZVEAB-UHFFFAOYSA-N -2 3 267.281 1.386 20 0 CDADHL CC(=O)c1ccc(C(=O)N2CCC[C@H]2C(=O)[O-])cc1[O-] ZINC000647217304 390883051 /nfs/dbraw/zinc/88/30/51/390883051.db2.gz JHJPKMVLAOGUIB-NSHDSACASA-N -2 3 277.276 1.284 20 0 CDADHL O=C(N=c1ccc([O-])n[n-]1)c1cccc2c1CCCC2 ZINC000410714823 391327656 /nfs/dbraw/zinc/32/76/56/391327656.db2.gz CBGDHLLOJWSZRM-UHFFFAOYSA-N -2 3 269.304 1.735 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]C[C@@H]2CC=CCC2)cc1C(=O)[O-] ZINC000574319920 392570854 /nfs/dbraw/zinc/57/08/54/392570854.db2.gz UNEOQOZDUPNTQY-SNVBAGLBSA-N -2 3 299.348 1.921 20 0 CDADHL CC(C)C[C@@H](C)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134673971 393275973 /nfs/dbraw/zinc/27/59/73/393275973.db2.gz AWYJUXCUYMFDRB-SSDOTTSWSA-N -2 3 292.382 1.554 20 0 CDADHL CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000645955977 393431919 /nfs/dbraw/zinc/43/19/19/393431919.db2.gz PSYGOIREGHWCGI-YUMQZZPRSA-N -2 3 289.353 1.999 20 0 CDADHL C[C@@H]1SCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000386580811 398076809 /nfs/dbraw/zinc/07/68/09/398076809.db2.gz ZSLIVDUZRCEDMW-BQBZGAKWSA-N -2 3 291.350 1.150 20 0 CDADHL CC(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000020546968 171244619 /nfs/dbraw/zinc/24/46/19/171244619.db2.gz MYADYHHCHOKPBX-UHFFFAOYSA-N -2 3 263.340 1.381 20 0 CDADHL CC(C)(C)[C@@H](NC(=O)c1cccc([O-])c1)C(=O)[O-] ZINC000035390442 172173939 /nfs/dbraw/zinc/17/39/39/172173939.db2.gz XJQTZMLPYLGMFU-JTQLQIEISA-N -2 3 251.282 1.621 20 0 CDADHL Cc1oc(S(=O)(=O)[N-][C@@]23C[C@@H]2CCC3)cc1C(=O)[O-] ZINC000656716884 413595880 /nfs/dbraw/zinc/59/58/80/413595880.db2.gz HUMNTUGONULKDH-UFBFGSQYSA-N -2 3 285.321 1.507 20 0 CDADHL Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccccc2[O-])o1 ZINC000656934072 413804817 /nfs/dbraw/zinc/80/48/17/413804817.db2.gz VLOVIKCHWIGLQC-ZETCQYMHSA-N -2 3 283.309 1.123 20 0 CDADHL CCN(C(=O)CCc1c(C)nc(C)[n-]c1=O)[C@@H](C)C(=O)[O-] ZINC000659776626 414103491 /nfs/dbraw/zinc/10/34/91/414103491.db2.gz QLOKAPGXTZHRTC-VIFPVBQESA-N -2 3 295.339 1.053 20 0 CDADHL CC(C)(C)CN(CC(=O)[O-])C(=O)c1ccc2n[n-]nc2c1 ZINC000659784469 414110040 /nfs/dbraw/zinc/11/00/40/414110040.db2.gz LJEDLTGDFGZLGX-UHFFFAOYSA-N -2 3 290.323 1.531 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]C(C2CC2)C2CC2)oc1C(=O)[O-] ZINC000663420236 414243001 /nfs/dbraw/zinc/24/30/01/414243001.db2.gz FXWOXGFRZVQEQM-UHFFFAOYSA-N -2 3 299.348 1.753 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]C2CCCCC2)oc1C(=O)[O-] ZINC000663419913 414244693 /nfs/dbraw/zinc/24/46/93/414244693.db2.gz NCDODFKWKGCBPS-UHFFFAOYSA-N -2 3 287.337 1.897 20 0 CDADHL Cc1ccc([O-])c(C(=O)N[C@@]2(C(=O)[O-])CCSC2)c1 ZINC000043503724 175059522 /nfs/dbraw/zinc/05/95/22/175059522.db2.gz OXBNKWKJEFNVAS-ZDUSSCGKSA-N -2 3 281.333 1.391 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CCC(CC(=O)[O-])CC2)n1 ZINC000652465651 424459886 /nfs/dbraw/zinc/45/98/86/424459886.db2.gz FTYIPOSPSAOQTO-UHFFFAOYSA-N -2 3 279.340 1.431 20 0 CDADHL CC(=O)c1ccc(C(=O)NCCCCCC(=O)[O-])cc1[O-] ZINC000574756083 295049795 /nfs/dbraw/zinc/04/97/95/295049795.db2.gz MKFVAMATGKKFFO-UHFFFAOYSA-N -2 3 293.319 1.970 20 0 CDADHL COc1ccc(C(=O)NC2(CC(=O)[O-])CCC2)c([O-])c1 ZINC000094290275 482769984 /nfs/dbraw/zinc/76/99/84/482769984.db2.gz KOCQZXTUTSZWFG-UHFFFAOYSA-N -2 3 279.292 1.528 20 0 CDADHL CCC1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CCC1 ZINC000233073699 482903684 /nfs/dbraw/zinc/90/36/84/482903684.db2.gz YJBCMDAPVONGTG-UHFFFAOYSA-N -2 3 287.337 1.836 20 0 CDADHL CC[C@@H](C[N-]S(=O)(=O)c1sccc1OC)C(=O)[O-] ZINC000681572036 482913033 /nfs/dbraw/zinc/91/30/33/482913033.db2.gz QNDMVRFRHJSROS-ZETCQYMHSA-N -2 3 293.366 1.146 20 0 CDADHL CC(C)n1cc([N-]S(=O)(=O)c2ccc([O-])cc2)cn1 ZINC000061684006 519965743 /nfs/dbraw/zinc/96/57/43/519965743.db2.gz OZFNBPBUOFKEEN-UHFFFAOYSA-N -2 3 281.337 1.970 20 0 CDADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CC2)c1 ZINC000054505350 524833051 /nfs/dbraw/zinc/83/30/51/524833051.db2.gz WOXWQUJBLWZPAK-NSHDSACASA-N -2 3 287.312 1.276 20 0 CDADHL O=C([O-])CCCOc1ccc(-c2nn[n-]n2)cc1F ZINC000095141241 1174494476 /nfs/dbraw/zinc/49/44/76/1174494476.db2.gz BEJRNIVXWAXZOC-UHFFFAOYSA-N -2 3 266.232 1.249 20 0 CDADHL O=S(=O)(C=Cc1ccccc1Cl)[N-]c1nc[n-]n1 ZINC000733732286 575137331 /nfs/dbraw/zinc/13/73/31/575137331.db2.gz ZCRNPIWONXUUQM-WAYWQWQTSA-N -2 3 284.728 1.871 20 0 CDADHL Cc1[n-]ncc1S(=O)(=O)Oc1ccc(CC(=O)[O-])cc1 ZINC000738249520 576053586 /nfs/dbraw/zinc/05/35/86/576053586.db2.gz VGGIYJOPVLBNSJ-UHFFFAOYSA-N -2 3 296.304 1.113 20 0 CDADHL COCSc1nc2nc(C)cc(C(=O)[O-])c2c(=O)[n-]1 ZINC000831807696 601810131 /nfs/dbraw/zinc/81/01/31/601810131.db2.gz VCQBNCPCRGWCPB-UHFFFAOYSA-N -2 3 281.293 1.433 20 0 CDADHL CC(C)N(CC(=O)[O-])C(=O)c1cc2c(cc1[O-])OCO2 ZINC000820004121 598149091 /nfs/dbraw/zinc/14/90/91/598149091.db2.gz WQNVHQMMKWQLQU-UHFFFAOYSA-N -2 3 281.264 1.056 20 0 CDADHL COC(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)[O-])cc1[O-] ZINC000820672923 600730494 /nfs/dbraw/zinc/73/04/94/600730494.db2.gz ICLCSKASPNPIGE-LURJTMIESA-N -2 3 283.236 1.200 20 0 CDADHL O=C([O-])c1cc(C=Cc2ccccc2-c2nnn[n-]2)ncn1 ZINC000826462282 608048222 /nfs/dbraw/zinc/04/82/22/608048222.db2.gz TUYRGBBCXCEENY-AATRIKPKSA-N -2 3 294.274 1.525 20 0 CDADHL O=C([O-])c1cc(C=Cc2ccccc2-c2nn[n-]n2)ncn1 ZINC000826462282 608048223 /nfs/dbraw/zinc/04/82/23/608048223.db2.gz TUYRGBBCXCEENY-AATRIKPKSA-N -2 3 294.274 1.525 20 0 CDADHL CC(C)(CNC(=O)Cc1ccc([O-])c(F)c1)CC(=O)[O-] ZINC000910830834 618542263 /nfs/dbraw/zinc/54/22/63/618542263.db2.gz RSZBHLYTAFXZIN-UHFFFAOYSA-N -2 3 283.299 1.691 20 0 CDADHL O=C([O-])[C@H]1CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000909423840 619246589 /nfs/dbraw/zinc/24/65/89/619246589.db2.gz OKQRBNYZDFBBHE-NSHDSACASA-N -2 3 295.310 1.787 20 0 CDADHL O=C(NCCCc1c[n-][nH]c1=O)c1ccc([O-])c(Cl)c1 ZINC000898730595 621852369 /nfs/dbraw/zinc/85/23/69/621852369.db2.gz ZYNYOEFSUHUVRH-SECBINFHSA-N -2 3 295.726 1.287 20 0 CDADHL O=C([O-])[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)C1CC1 ZINC000909048480 628490276 /nfs/dbraw/zinc/49/02/76/628490276.db2.gz NDASZAHHEHWMPA-NSHDSACASA-N -2 3 282.271 1.194 20 0 CDADHL CCCO[N-]C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000911808655 629540251 /nfs/dbraw/zinc/54/02/51/629540251.db2.gz GBYJIZTZPIDPIY-UHFFFAOYSA-N -2 3 255.314 1.869 20 0 CDADHL CC1(C)C([N-]S(=O)(=O)c2occc2C(=O)[O-])C1(C)C ZINC001604508527 1163212362 /nfs/dbraw/zinc/21/23/62/1163212362.db2.gz IIILXCWOFKJBEQ-UHFFFAOYSA-N -2 3 287.337 1.691 20 0 CDADHL CCc1ccc(C(=O)N[C@H](C)/C=C/C(=O)[O-])c([O-])c1 ZINC001605804847 1163677097 /nfs/dbraw/zinc/67/70/97/1163677097.db2.gz NQUMWJZQNYAJHE-ILFKPUCNSA-N -2 3 263.293 1.714 20 0 CDADHL COC(=O)c1ccc(C(=O)[N-]c2cc(C(=O)[O-])no2)o1 ZINC001606573875 1163930931 /nfs/dbraw/zinc/93/09/31/1163930931.db2.gz CGPLVQDIFYODGP-UHFFFAOYSA-N -2 3 280.192 1.005 20 0 CDADHL O=C([O-])CN(Cc1ccc(C(=O)[O-])s1)CC1CC1 ZINC001608747127 1164626859 /nfs/dbraw/zinc/62/68/59/1164626859.db2.gz JJWSVQCMEXJZIX-UHFFFAOYSA-N -2 3 269.322 1.743 20 0 CDADHL CC(C)(C)O[N-]C(=O)COc1ccccc1-c1nnn[n-]1 ZINC001609079585 1164759477 /nfs/dbraw/zinc/75/94/77/1164759477.db2.gz GCZJTOSYNLIDBH-UHFFFAOYSA-N -2 3 291.311 1.092 20 0 CDADHL CC(C)(C)O[N-]C(=O)COc1ccccc1-c1nn[n-]n1 ZINC001609079585 1164759485 /nfs/dbraw/zinc/75/94/85/1164759485.db2.gz GCZJTOSYNLIDBH-UHFFFAOYSA-N -2 3 291.311 1.092 20 0 CDADHL COC(=O)c1coc(C(=O)[N-]c2onc(C(=O)[O-])c2C)c1 ZINC001573948830 1170839564 /nfs/dbraw/zinc/83/95/64/1170839564.db2.gz WMNHFSOYEYFDAD-UHFFFAOYSA-N -2 3 294.219 1.313 20 0 CDADHL O=C([O-])c1ccc(CC(=O)Nc2cccc([O-])c2F)cn1 ZINC001601359385 1174844796 /nfs/dbraw/zinc/84/47/96/1174844796.db2.gz OQDKVXBCIBPWEB-UHFFFAOYSA-N -2 3 290.250 1.806 20 0 CDADHL O=C([O-])[C@H](NC(=O)c1ccc(O)cc1[O-])c1ccccn1 ZINC001601402498 1174856197 /nfs/dbraw/zinc/85/61/97/1174856197.db2.gz SIWAMKGQYBEHEE-GFCCVEGCSA-N -2 3 288.259 1.049 20 0 CDADHL CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1c[n-]ncc1=O ZINC001603807074 1175639766 /nfs/dbraw/zinc/63/97/66/1175639766.db2.gz VVLSIPBQIWFGDN-UHFFFAOYSA-N -2 3 295.339 1.391 20 0 CDADHL COc1cccc([O-])c1C(=O)N[C@@H]1CCC[C@]1(C)C(=O)[O-] ZINC000404597401 1186527558 /nfs/dbraw/zinc/52/75/58/1186527558.db2.gz SGIDTPWHYRNKEF-ABAIWWIYSA-N -2 3 293.319 1.774 20 0 CDADHL O=C([O-])[C@H]1C[C@H](Nc2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC001606962103 1164039090 /nfs/dbraw/zinc/03/90/90/1164039090.db2.gz DRNKVSREVVQRNP-LJGSYFOKSA-N -2 3 293.714 1.795 20 0 CDADHL CC[C@@](C)([N-]C(=O)C(F)(F)c1nccs1)C(=O)[O-] ZINC001609895366 1165134838 /nfs/dbraw/zinc/13/48/38/1165134838.db2.gz GQIVJWDZGCNORO-SECBINFHSA-N -2 3 278.280 1.604 20 0 CDADHL CCc1ccc(C(=O)NCCCCC(=O)[O-])c([O-])c1 ZINC001610060255 1165199594 /nfs/dbraw/zinc/19/95/94/1165199594.db2.gz LFTSLDBCSYTGNK-UHFFFAOYSA-N -2 3 265.309 1.939 20 0 CDADHL CN(C(=O)Cc1ccc([O-])c(F)c1)C(C)(C)C(=O)[O-] ZINC001610091660 1165213701 /nfs/dbraw/zinc/21/37/01/1165213701.db2.gz LTHKMFASIFMLCQ-UHFFFAOYSA-N -2 3 269.272 1.395 20 0 CDADHL C[C@](NC(=O)NCc1ccc([O-])c(F)c1)(C(=O)[O-])C1CC1 ZINC000780686432 784190551 /nfs/dbraw/zinc/19/05/51/784190551.db2.gz KPKWPFSCHKOGFQ-CQSZACIVSA-N -2 3 296.298 1.584 20 0 CDADHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]CCCCF)c1 ZINC000312014557 784853165 /nfs/dbraw/zinc/85/31/65/784853165.db2.gz XGZWRPARQSXORQ-UHFFFAOYSA-N -2 3 293.291 1.552 20 0 CDADHL O=C([N-]n1c(=O)[n-][nH]c1=O)c1cc(F)c(F)cc1Cl ZINC000820288620 785521618 /nfs/dbraw/zinc/52/16/18/785521618.db2.gz MJRBMCWKENKHMQ-UHFFFAOYSA-N -2 3 290.613 1.005 20 0 CDADHL C[C@H](CN(C)C(=O)c1cc([O-])ccc1Cl)C(=O)[O-] ZINC000235462926 787844340 /nfs/dbraw/zinc/84/43/40/787844340.db2.gz UZXBBYHMBRDHDI-SSDOTTSWSA-N -2 3 271.700 1.838 20 0 CDADHL COC[C@@](C)(NC(=O)c1cc([O-])ccc1Cl)C(=O)[O-] ZINC000381325887 789504028 /nfs/dbraw/zinc/50/40/28/789504028.db2.gz VFEAPZSQHIHKMR-GFCCVEGCSA-N -2 3 287.699 1.265 20 0 CDADHL CC(C)C[C@H](NC(=O)c1ccc(N)cc1[O-])C(=O)[O-] ZINC000763017568 789596149 /nfs/dbraw/zinc/59/61/49/789596149.db2.gz CDRWYOIMGRYWAV-JTQLQIEISA-N -2 3 266.297 1.204 20 0 CDADHL CC(=O)c1cccc(S(=O)(=O)[N-]c2cncc([O-])c2)c1 ZINC001189191565 921355572 /nfs/dbraw/zinc/35/55/72/921355572.db2.gz OFWBYJGWUQEXDV-UHFFFAOYSA-N -2 3 292.316 1.791 20 0 CDADHL O=S(=O)([N-]c1ccc(F)c([O-])c1)c1ncc[nH]1 ZINC001190722109 922155478 /nfs/dbraw/zinc/15/54/78/922155478.db2.gz PGMVGUCBKVMLMO-UHFFFAOYSA-N -2 3 257.246 1.055 20 0 CDADHL Cc1[nH]nc(C(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)c1[O-] ZINC001141387547 936862009 /nfs/dbraw/zinc/86/20/09/936862009.db2.gz ODYRWOXQOBPLHT-UHFFFAOYSA-N -2 3 299.290 1.772 20 0 CDADHL O=C(Nc1cncc([O-])c1)c1cc(Cl)ncc1[O-] ZINC001196387584 924888423 /nfs/dbraw/zinc/88/84/23/924888423.db2.gz QODPPEOAVOLRFO-UHFFFAOYSA-N -2 3 265.656 1.794 20 0 CDADHL O=P([O-])([O-])CCNC(=S)Nc1ccc(F)cc1 ZINC001196956782 925020370 /nfs/dbraw/zinc/02/03/70/925020370.db2.gz ZYVULWUNQYPSBC-UHFFFAOYSA-N -2 3 278.245 1.290 20 0 CDADHL Cc1ccc([O-])c([N-]S(=O)(=O)Cc2cccnc2)n1 ZINC001197421212 925135242 /nfs/dbraw/zinc/13/52/42/925135242.db2.gz BWBPSYATJLPUAO-UHFFFAOYSA-N -2 3 279.321 1.433 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1ccc2c(c1)CCC2 ZINC001198784803 925514491 /nfs/dbraw/zinc/51/44/91/925514491.db2.gz GENNUVXOAGMMLD-UHFFFAOYSA-N -2 3 297.291 1.863 20 0 CDADHL O=P([O-])([O-])CCNC(=S)Nc1ccccc1Cl ZINC001200868820 926155947 /nfs/dbraw/zinc/15/59/47/926155947.db2.gz SBXZJEYBXGXLAS-UHFFFAOYSA-N -2 3 294.700 1.804 20 0 CDADHL O=C(NCc1n[nH]c(=O)[n-]1)c1c([O-])ccc2ccccc21 ZINC001153505368 937449478 /nfs/dbraw/zinc/44/94/78/937449478.db2.gz VCKJPRAFCAOQNV-UHFFFAOYSA-N -2 3 284.275 1.299 20 0 CDADHL Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1c([O-])cccc1F)C2 ZINC001412412672 932415781 /nfs/dbraw/zinc/41/57/81/932415781.db2.gz OUGLHFCULQFOJF-UHFFFAOYSA-N -2 3 289.266 1.491 20 0 CDADHL COc1ccc(Nc2cnc(C)[n-]c2=O)cc1C(=O)[O-] ZINC001209900720 940650896 /nfs/dbraw/zinc/65/08/96/940650896.db2.gz NFAFPUVVYUUJRK-UHFFFAOYSA-N -2 3 275.264 1.941 20 0 CDADHL O=P([O-])([O-])CCO[C@H]1CC(F)(F)C1(F)F ZINC001224602121 941773913 /nfs/dbraw/zinc/77/39/13/941773913.db2.gz OKBKYDDWWQOIKP-BYPYZUCNSA-N -2 3 252.100 1.224 20 0 CDADHL CCOC(=O)[C@@H](CC(C)C)OCCP(=O)([O-])[O-] ZINC001224606519 941775358 /nfs/dbraw/zinc/77/53/58/941775358.db2.gz POZVCUMJHGKURD-SECBINFHSA-N -2 3 268.246 1.159 20 0 CDADHL Cc1ccc(COc2nc(=O)[n-]c(=O)[n-]2)c(OC(C)C)c1 ZINC001227569472 942190752 /nfs/dbraw/zinc/19/07/52/942190752.db2.gz FVBHZJSKBRHIAL-UHFFFAOYSA-N -2 3 291.307 1.957 20 0 CDADHL Cc1cc(COc2nc(=O)[n-]c(=O)[n-]2)ccc1OC(C)C ZINC001227569479 942191249 /nfs/dbraw/zinc/19/12/49/942191249.db2.gz BQMDQNSINGIEPO-UHFFFAOYSA-N -2 3 291.307 1.957 20 0 CDADHL COC(=O)Cc1c(=O)[n-]cnc1O[C@H](C)C1=CC=C[CH]1 ZINC001230500151 942626460 /nfs/dbraw/zinc/62/64/60/942626460.db2.gz BOWOMGMSPZKJGM-SECBINFHSA-N -2 3 275.284 1.365 20 0 CDADHL CC(C)[C@H](Oc1[n-]c(=O)nc2cn[n-]c21)C(F)(F)F ZINC001233934181 943693586 /nfs/dbraw/zinc/69/35/86/943693586.db2.gz HMJYAHNDEQGMNC-ZETCQYMHSA-N -2 3 276.218 1.612 20 0 CDADHL C[C@@H]1CCC[C@@H](C)C1Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233938185 943695278 /nfs/dbraw/zinc/69/52/78/943695278.db2.gz BCKNLLFLDYUTEU-HTQZYQBOSA-N -2 3 262.313 1.850 20 0 CDADHL C[C@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1ccccn1 ZINC001233938522 943695703 /nfs/dbraw/zinc/69/57/03/943695703.db2.gz CNFQHBFZXJRKAF-ZETCQYMHSA-N -2 3 257.253 1.181 20 0 CDADHL O=c1nc2cn[n-]c2c(O[C@@H]2CCCC[C@H]2F)[n-]1 ZINC001233939921 943696690 /nfs/dbraw/zinc/69/66/90/943696690.db2.gz QOPXEDHNVIDIOP-HTRCEHHLSA-N -2 3 252.249 1.306 20 0 CDADHL C[C@@H](CC(=O)[O-])Nc1ccc(-c2nn[n-]n2)cc1F ZINC000095241493 944618344 /nfs/dbraw/zinc/61/83/44/944618344.db2.gz NDFKMTRFECJQHZ-LURJTMIESA-N -2 3 265.248 1.281 20 0 CDADHL O=C([O-])[C@H](CC(F)(F)F)NC(=O)c1ccc(O)cc1[O-] ZINC000380051388 971672307 /nfs/dbraw/zinc/67/23/07/971672307.db2.gz CIBDTGSFEYNIRK-ZETCQYMHSA-N -2 3 293.197 1.233 20 0 CDADHL CN(CCCC(=O)[O-])C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000037455934 957300760 /nfs/dbraw/zinc/30/07/60/957300760.db2.gz HQHMFDQXTGLCOU-UHFFFAOYSA-N -2 3 288.303 1.465 20 0 CDADHL O=C([N-]OCc1ccccn1)c1cnc(C2CC2)[n-]c1=O ZINC001332166007 957460445 /nfs/dbraw/zinc/46/04/45/957460445.db2.gz ZJIMPFOCOLEJJX-UHFFFAOYSA-N -2 3 286.291 1.316 20 0 CDADHL O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001574770699 957756591 /nfs/dbraw/zinc/75/65/91/957756591.db2.gz QXEAWEDJCSOKAP-HTQZYQBOSA-N -2 3 275.264 1.318 20 0 CDADHL Cc1cccc([C@H](NCc2nc(C)cc(=O)[n-]2)C(=O)[O-])c1 ZINC001574395210 961209267 /nfs/dbraw/zinc/20/92/67/961209267.db2.gz WOEGZXRNZPZSQV-AWEZNQCLSA-N -2 3 287.319 1.715 20 0 CDADHL Cc1oc(C(C)C)cc1C(=O)NCc1nc([O-])cc(=O)[n-]1 ZINC001454191193 968443015 /nfs/dbraw/zinc/44/30/15/968443015.db2.gz VJKNGESWJUJSAJ-UHFFFAOYSA-N -2 3 291.307 1.843 20 0 CDADHL O=C([O-])[C@H]1CCN(C(=O)c2cc(=O)[n-]cn2)c2ccccc21 ZINC001606008326 973105266 /nfs/dbraw/zinc/10/52/66/973105266.db2.gz QAKWDARNRRFSTF-JTQLQIEISA-N -2 3 299.286 1.401 20 0 CDADHL O=C([O-])c1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)nc1 ZINC001606478741 973958427 /nfs/dbraw/zinc/95/84/27/973958427.db2.gz SSMUCGZMZUGSAI-UHFFFAOYSA-N -2 3 299.246 1.410 20 0 CDADHL O=C([O-])c1ccccc1CC(=O)[N-]OC1CCOCC1 ZINC001605719940 974153585 /nfs/dbraw/zinc/15/35/85/974153585.db2.gz QVJLBQKXTBRHBW-UHFFFAOYSA-N -2 3 279.292 1.154 20 0 CDADHL CC(C)Oc1ccccc1CC(=O)[N-]OCCCC(=O)[O-] ZINC001591801309 976017104 /nfs/dbraw/zinc/01/71/04/976017104.db2.gz OMYAKNQFJPFTDP-UHFFFAOYSA-N -2 3 295.335 1.929 20 0 CDADHL CC(C)C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694173250 976674264 /nfs/dbraw/zinc/67/42/64/976674264.db2.gz RGGGUVGUNDDTCN-PSASIEDQSA-N -2 3 287.337 1.691 20 0 CDADHL C[C@@H]1CCN(Cc2cc(C(=O)[O-])co2)C[C@@H]1C(=O)[O-] ZINC001594423370 999580197 /nfs/dbraw/zinc/58/01/97/999580197.db2.gz UYJKYMPJJNBIML-KCJUWKMLSA-N -2 3 267.281 1.520 20 0 CDADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000201846547 342486161 /nfs/dbraw/zinc/48/61/61/342486161.db2.gz CTHQXGFKHXXZDH-UHFFFAOYSA-N -2 3 293.703 1.375 20 0 CDADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@H]1CC=CCC1 ZINC000134719648 342071162 /nfs/dbraw/zinc/07/11/62/342071162.db2.gz RJFGZMWRJXICEK-ZETCQYMHSA-N -2 3 288.350 1.228 20 0 CDADHL Cc1cccc(C(=O)NCC2(C(=O)[O-])CCOCC2)c1[O-] ZINC000165922692 539128243 /nfs/dbraw/zinc/12/82/43/539128243.db2.gz AODBVWOOMQAOPV-UHFFFAOYSA-N -2 3 293.319 1.312 20 0 CDADHL Cc1ccc(-c2cc(=NC(=O)c3c[n-]nc3C)[nH][n-]2)o1 ZINC000447802730 362508349 /nfs/dbraw/zinc/50/83/49/362508349.db2.gz NHODQLVIROFYDC-UHFFFAOYSA-N -2 3 271.280 1.684 20 0 CDADHL C[C@H]1CCN(C(=O)c2ccccc2[O-])C[C@H]1C(=O)[O-] ZINC000584720853 346414150 /nfs/dbraw/zinc/41/41/50/346414150.db2.gz XHAVRKWOVFEFCU-GXSJLCMTSA-N -2 3 263.293 1.575 20 0 CDADHL C[C@@H]1CCc2c(=O)n(-c3cn[n-]c(=O)c3Cl)[n-]c21 ZINC000634587085 356466387 /nfs/dbraw/zinc/46/63/87/356466387.db2.gz DXSWEPVFTIYABQ-PHDIDXHHSA-N -2 3 266.688 1.584 20 0 CDADHL COc1ccc(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c([O-])c1 ZINC000097051840 357935571 /nfs/dbraw/zinc/93/55/71/357935571.db2.gz LKSOUMPOKFAKLZ-DTWKUNHWSA-N -2 3 279.292 1.384 20 0 CDADHL O=C([O-])C[C@H]1CCCN(C(=O)c2ccc3n[n-]nc3c2)C1 ZINC000054295786 358710858 /nfs/dbraw/zinc/71/08/58/358710858.db2.gz HIQNCSQHZRNFNT-SECBINFHSA-N -2 3 288.307 1.285 20 0 CDADHL O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000634816462 358813011 /nfs/dbraw/zinc/81/30/11/358813011.db2.gz QWYCUONNYGYPQM-NKWVEPMBSA-N -2 3 255.657 1.705 20 0 CDADHL COc1ccc([O-])c(C(=O)N2CCC[C@H]2CC(=O)[O-])c1 ZINC000042144785 358903158 /nfs/dbraw/zinc/90/31/58/358903158.db2.gz LWPHZQOZBISLKM-VIFPVBQESA-N -2 3 279.292 1.480 20 0 CDADHL CC[C@](C)(C[N-]S(=O)(=O)c1cnc(C)s1)C(=O)[O-] ZINC000230102345 360241910 /nfs/dbraw/zinc/24/19/10/360241910.db2.gz WJTOVUJQFORYGQ-SNVBAGLBSA-N -2 3 292.382 1.231 20 0 CDADHL Cc1ccc(C(=O)N[C@@H](C)[C@H](C)C(=O)[O-])c([O-])c1 ZINC000132834304 361281575 /nfs/dbraw/zinc/28/15/75/361281575.db2.gz PGJJMGNCFRHUMH-IUCAKERBSA-N -2 3 251.282 1.540 20 0 CDADHL CO[C@H](C)CS(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1 ZINC000282299378 367819691 /nfs/dbraw/zinc/81/96/91/367819691.db2.gz XBEUKSFPMGODSB-SSDOTTSWSA-N -2 3 291.300 1.301 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@@H](C)CC(=O)[O-])c(F)c1 ZINC000270491474 371035889 /nfs/dbraw/zinc/03/58/89/371035889.db2.gz MBTKTPOFYOCEOS-QMMMGPOBSA-N -2 3 275.301 1.276 20 0 CDADHL CSc1nc([N-]S(=O)(=O)CCc2ccccc2)n[n-]1 ZINC000341534157 373771281 /nfs/dbraw/zinc/77/12/81/373771281.db2.gz UGMACJBSLYVGCS-UHFFFAOYSA-N -2 3 298.393 1.511 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@@H](CCF)C(=O)[O-])sc1C ZINC000656163052 413064811 /nfs/dbraw/zinc/06/48/11/413064811.db2.gz LRGMSUQQHYKRQZ-QMMMGPOBSA-N -2 3 295.357 1.456 20 0 CDADHL CC[C@@H](C)c1cc(C(=O)[N-]c2n[n-]c(OC)n2)on1 ZINC000179368598 148110172 /nfs/dbraw/zinc/11/01/72/148110172.db2.gz RTAALMVOECEBER-ZCFIWIBFSA-N -2 3 265.273 1.567 20 0 CDADHL C[C@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)C(=O)[O-] ZINC000262847268 149122382 /nfs/dbraw/zinc/12/23/82/149122382.db2.gz YRFZQCINILIFNJ-LURJTMIESA-N -2 3 261.199 1.507 20 0 CDADHL CC(C)C[C@H](NC(=O)c1ccccc1[O-])C(=O)[O-] ZINC000022142528 171355520 /nfs/dbraw/zinc/35/55/20/171355520.db2.gz ZLFWKARDOQUBNX-JTQLQIEISA-N -2 3 251.282 1.621 20 0 CDADHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C1CC1 ZINC000035733551 172384441 /nfs/dbraw/zinc/38/44/41/172384441.db2.gz VBMKKMRVDSDULF-ZCFIWIBFSA-N -2 3 259.283 1.055 20 0 CDADHL CC(=O)c1ccc(C(=O)NCC2(C(=O)[O-])CCC2)cc1[O-] ZINC000659784941 414110165 /nfs/dbraw/zinc/11/01/65/414110165.db2.gz LADHEAVLEKDMPN-UHFFFAOYSA-N -2 3 291.303 1.580 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]CC2CCC2)oc1C(=O)[O-] ZINC000663420418 414245499 /nfs/dbraw/zinc/24/54/99/414245499.db2.gz ZZDMKJFUERYMDS-UHFFFAOYSA-N -2 3 273.310 1.365 20 0 CDADHL CC1(C)C[C@]1(C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000663445003 414257085 /nfs/dbraw/zinc/25/70/85/414257085.db2.gz KPXQRZVUHIPUOI-JTQLQIEISA-N -2 3 290.366 1.308 20 0 CDADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCC[C@H]2C)cc1C(=O)[O-] ZINC000517931056 260322610 /nfs/dbraw/zinc/32/26/10/260322610.db2.gz VEENLZSFCZGCCY-XCBNKYQSSA-N -2 3 287.337 1.753 20 0 CDADHL CC[C@@H](C(=O)[O-])N(C)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001590370239 1173377037 /nfs/dbraw/zinc/37/70/37/1173377037.db2.gz BTEUUZJMJOYTLI-QMMMGPOBSA-N -2 3 296.718 1.215 20 0 CDADHL CC[C@@H](C(=O)[O-])N(C)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001590370239 1173377050 /nfs/dbraw/zinc/37/70/50/1173377050.db2.gz BTEUUZJMJOYTLI-QMMMGPOBSA-N -2 3 296.718 1.215 20 0 CDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccoc1)c1ccsc1 ZINC000551996375 290038538 /nfs/dbraw/zinc/03/85/38/290038538.db2.gz IXYMWUHLLHUYEM-VIFPVBQESA-N -2 3 287.318 1.445 20 0 CDADHL O=C([O-])c1cnc(C=Cc2ccc3c(c2)CCO3)[n-]c1=O ZINC000670370032 482844781 /nfs/dbraw/zinc/84/47/81/482844781.db2.gz RTLCUXSPBIAXIA-RQOWECAXSA-N -2 3 284.271 1.986 20 0 CDADHL Cc1ccc(C(=O)NCCc2n[n-]c(=S)o2)c([O-])c1 ZINC000773085387 575781445 /nfs/dbraw/zinc/78/14/45/575781445.db2.gz DTGXGAMXTQRYOR-UHFFFAOYSA-N -2 3 279.321 1.345 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2cccs2)o1 ZINC000036667054 599765413 /nfs/dbraw/zinc/76/54/13/599765413.db2.gz HSGYMLAQONRDMK-UHFFFAOYSA-N -2 3 287.318 1.518 20 0 CDADHL C[C@H](C(=O)[O-])N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000054069962 597473222 /nfs/dbraw/zinc/47/32/22/597473222.db2.gz BWIIEAIVRSZBFO-ZCFIWIBFSA-N -2 3 267.310 1.302 20 0 CDADHL O=C([O-])c1cccc(CS(=O)(=O)c2cccc([O-])c2)n1 ZINC001602441106 1175241279 /nfs/dbraw/zinc/24/12/79/1175241279.db2.gz LUSCICTXAXYGJG-UHFFFAOYSA-N -2 3 293.300 1.459 20 0 CDADHL O=C([O-])C[C@@H](NC(=O)c1ccc(O)cc1[O-])C1CC1 ZINC000137159776 604788370 /nfs/dbraw/zinc/78/83/70/604788370.db2.gz PPQGJNXVIMPVHA-SNVBAGLBSA-N -2 3 265.265 1.081 20 0 CDADHL O=C([O-])C[C@H]1CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000042144278 622044541 /nfs/dbraw/zinc/04/45/41/622044541.db2.gz RZJIHKNJZTYURW-MRVPVSSYSA-N -2 3 265.265 1.177 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]C[C@]23C[C@H]2CCC3)oc1C(=O)[O-] ZINC000903520916 626014097 /nfs/dbraw/zinc/01/40/97/626014097.db2.gz AHSHNGVKCBVWLG-RNCFNFMXSA-N -2 3 299.348 1.755 20 0 CDADHL O=C([O-])[C@@H](CC1CC1)NC(=O)NCc1ccc([O-])c(F)c1 ZINC000909047463 628490110 /nfs/dbraw/zinc/49/01/10/628490110.db2.gz HFFPRWOUGJXISF-LLVKDONJSA-N -2 3 296.298 1.584 20 0 CDADHL CC[C@H](CNC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909871630 628718557 /nfs/dbraw/zinc/71/85/57/628718557.db2.gz OJLLTTCASIRLMA-SECBINFHSA-N -2 3 269.272 1.301 20 0 CDADHL O=C([O-])c1cccc(CC(=O)[N-]OCCC(F)(F)F)c1 ZINC000911806332 629536693 /nfs/dbraw/zinc/53/66/93/629536693.db2.gz SVEUBPKUDPRBCK-UHFFFAOYSA-N -2 3 291.225 1.928 20 0 CDADHL O=C([O-])COCCNc1cccc(Cl)c1-c1nnn[n-]1 ZINC001606957837 1164038541 /nfs/dbraw/zinc/03/85/41/1164038541.db2.gz LCYWWZGNMVJTMB-UHFFFAOYSA-N -2 3 297.702 1.033 20 0 CDADHL O=C([O-])COCCNc1cccc(Cl)c1-c1nn[n-]n1 ZINC001606957837 1164038547 /nfs/dbraw/zinc/03/85/47/1164038547.db2.gz LCYWWZGNMVJTMB-UHFFFAOYSA-N -2 3 297.702 1.033 20 0 CDADHL N[C@@H](CC(=O)[O-])c1nc(-c2ccc([O-])c(F)c2)no1 ZINC001608265029 1164473441 /nfs/dbraw/zinc/47/34/41/1164473441.db2.gz PRVSPDSSKBHVGG-ZETCQYMHSA-N -2 3 267.216 1.056 20 0 CDADHL O=C([O-])c1cc([N-]C(=O)c2ncc(F)cc2F)on1 ZINC001608856249 1164664650 /nfs/dbraw/zinc/66/46/50/1164664650.db2.gz PVKPJPHLEAECOW-UHFFFAOYSA-N -2 3 269.163 1.298 20 0 CDADHL O=C([O-])[C@@H](NC(=O)c1ccccc1[O-])c1ccc(O)cc1 ZINC001610679994 1165404560 /nfs/dbraw/zinc/40/45/60/1165404560.db2.gz RKCWVHXYTVTUHD-ZDUSSCGKSA-N -2 3 287.271 1.654 20 0 CDADHL Cc1nc2c(c(=O)[n-]1)CN(Cc1ccsc1C(=O)[O-])C2 ZINC001600719058 1174580088 /nfs/dbraw/zinc/58/00/88/1174580088.db2.gz RUULUJZIPDALJS-UHFFFAOYSA-N -2 3 291.332 1.766 20 0 CDADHL CC(C)c1noc([N-]Cc2ncc(C(=O)[O-])s2)n1 ZINC001604040382 1175729731 /nfs/dbraw/zinc/72/97/31/1175729731.db2.gz JDQXWQBIYIZRTE-UHFFFAOYSA-N -2 3 268.298 1.960 20 0 CDADHL COC(=O)c1cc(C(=O)O[C@H](CC(C)(C)C)C(=O)[O-])c[n-]1 ZINC001606537551 1163926211 /nfs/dbraw/zinc/92/62/11/1163926211.db2.gz MYZDFQFBTFJVTJ-SNVBAGLBSA-N -2 3 297.307 1.848 20 0 CDADHL CON(C(=O)c1ccc(C)c(C)c1[O-])[C@@H](C)CC(=O)[O-] ZINC001606987832 1164051976 /nfs/dbraw/zinc/05/19/76/1164051976.db2.gz OEVHFSXTUFZJDP-VIFPVBQESA-N -2 3 281.308 1.876 20 0 CDADHL C[C@@]([N-]C(=O)C(F)F)(C(=O)[O-])c1ccc(F)cc1 ZINC001609763669 1165071278 /nfs/dbraw/zinc/07/12/78/1165071278.db2.gz XLZUBEZIYMBZMC-NSHDSACASA-N -2 3 261.199 1.507 20 0 CDADHL CC(C)(C)CC[C@H](NC(=O)c1ccc(N)cc1[O-])C(=O)[O-] ZINC000841845375 790015035 /nfs/dbraw/zinc/01/50/35/790015035.db2.gz UTYCYMSZTXHEMG-NSHDSACASA-N -2 3 294.351 1.984 20 0 CDADHL CCNC(=O)[N-][N-]S(=O)(=O)c1cc(Cl)ccc1C ZINC000049152338 792380197 /nfs/dbraw/zinc/38/01/97/792380197.db2.gz KKYXFCSJRSLTGZ-UHFFFAOYSA-N -2 3 291.760 1.161 20 0 CDADHL CC(C)Oc1cc(COCCP(=O)([O-])[O-])cnc1F ZINC001224602735 909916962 /nfs/dbraw/zinc/91/69/62/909916962.db2.gz SXDYKIUJCBSKQT-UHFFFAOYSA-N -2 3 293.231 1.702 20 0 CDADHL Cc1nc(NC(=O)c2cc(F)c(F)c([O-])c2F)cc(=O)[n-]1 ZINC001186770788 920166477 /nfs/dbraw/zinc/16/64/77/920166477.db2.gz LUCHWDJJWHRKQZ-UHFFFAOYSA-N -2 3 299.208 1.866 20 0 CDADHL COc1nc(S(=O)(=O)[N-]c2cncc([O-])c2)ccc1F ZINC001190063973 921819605 /nfs/dbraw/zinc/81/96/05/921819605.db2.gz VLTCRVBZKFLVPO-UHFFFAOYSA-N -2 3 299.283 1.131 20 0 CDADHL COc1nc(S(=O)(=O)[N-]C2=CC=C[CH]2)ccc1F ZINC001190119331 921865956 /nfs/dbraw/zinc/86/59/56/921865956.db2.gz CNTTVSJFTXVEEF-UHFFFAOYSA-N -2 3 269.277 1.166 20 0 CDADHL O=C([O-])c1cc(-c2cncc(-c3nnn[n-]3)c2)cs1 ZINC001206284244 940010840 /nfs/dbraw/zinc/01/08/40/940010840.db2.gz ZVSFVKLCFPKOGQ-UHFFFAOYSA-N -2 3 273.277 1.688 20 0 CDADHL O=C([O-])c1cc(-c2cncc(-c3nn[n-]n3)c2)cs1 ZINC001206284244 940010846 /nfs/dbraw/zinc/01/08/46/940010846.db2.gz ZVSFVKLCFPKOGQ-UHFFFAOYSA-N -2 3 273.277 1.688 20 0 CDADHL O=C([O-])c1c(F)ccc(Nc2cnc[n-]c2=O)c1F ZINC001215272032 940869547 /nfs/dbraw/zinc/86/95/47/940869547.db2.gz RSLZAFUAXJNPKW-UHFFFAOYSA-N -2 3 267.191 1.902 20 0 CDADHL CCOC(=O)CC1CC(OCCCCP(=O)([O-])[O-])C1 ZINC001225023537 941815789 /nfs/dbraw/zinc/81/57/89/941815789.db2.gz XPFREYWPMFMWCL-UHFFFAOYSA-N -2 3 294.284 1.693 20 0 CDADHL COc1cccc2c1[C@H](Oc1nc(=O)[n-]c(=O)[n-]1)CCO2 ZINC001227571576 942190782 /nfs/dbraw/zinc/19/07/82/942190782.db2.gz WWZMJTVXJNBFQL-SECBINFHSA-N -2 3 291.263 1.194 20 0 CDADHL O=S(=O)([N-]c1cncc([O-])c1)c1cc(F)cc(F)c1 ZINC001259306141 945555992 /nfs/dbraw/zinc/55/59/92/945555992.db2.gz GEAXMEMPNJTHOB-UHFFFAOYSA-N -2 3 286.259 1.866 20 0 CDADHL COCCS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1[O-] ZINC001259971910 945766352 /nfs/dbraw/zinc/76/63/52/945766352.db2.gz VHFZTNCSEYHVTR-UHFFFAOYSA-N -2 3 299.270 1.799 20 0 CDADHL COc1ccc(S(=O)(=O)[N-]c2cncc([O-])c2)cc1F ZINC001260656819 945849144 /nfs/dbraw/zinc/84/91/44/945849144.db2.gz VBSQSNZQUDSRDU-UHFFFAOYSA-N -2 3 298.295 1.736 20 0 CDADHL CO[C@@](C)(C(=O)[O-])C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001593931127 956182012 /nfs/dbraw/zinc/18/20/12/956182012.db2.gz LDQKQLBFWWPAQJ-CYBMUJFWSA-N -2 3 281.264 1.023 20 0 CDADHL Cc1oc(C(C)C)nc1C(=O)NCc1nc([O-])cc(=O)[n-]1 ZINC001363485688 972199662 /nfs/dbraw/zinc/19/96/62/972199662.db2.gz MPBGBPLGCQXKGO-UHFFFAOYSA-N -2 3 292.295 1.238 20 0 CDADHL COc1cccc(C(=O)Nc2c[nH]nc2C(=O)[O-])c1[O-] ZINC001594121628 958601499 /nfs/dbraw/zinc/60/14/99/958601499.db2.gz BHKXCKQCAJBREN-UHFFFAOYSA-N -2 3 277.236 1.074 20 0 CDADHL CC(C)(C)CC[C@@H](NC(=O)c1cc(=O)[n-]cn1)C(=O)[O-] ZINC001588648375 959747073 /nfs/dbraw/zinc/74/70/73/959747073.db2.gz MTQYLUDRFXDTLX-MRVPVSSYSA-N -2 3 281.312 1.192 20 0 CDADHL COc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])C[C@H]2C)c([O-])c1 ZINC000234953291 960379032 /nfs/dbraw/zinc/37/90/32/960379032.db2.gz IRNXQYKLXFGWBL-NXEZZACHSA-N -2 3 293.319 1.726 20 0 CDADHL O=C([O-])[C@H]1C[C@@H](C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC001349932194 966533397 /nfs/dbraw/zinc/53/33/97/966533397.db2.gz OYWAEEPLCXYMHM-DTORHVGOSA-N -2 3 267.256 1.258 20 0 CDADHL O=C([O-])[C@]12COC[C@@H]1CN(Cc1c(F)ccc([O-])c1F)C2 ZINC001549336921 968141490 /nfs/dbraw/zinc/14/14/90/968141490.db2.gz ALUIFTJKIFYZHC-RMLUDKJBSA-N -2 3 299.273 1.203 20 0 CDADHL CC(F)(F)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])ccn1 ZINC000393586014 972613661 /nfs/dbraw/zinc/61/36/61/972613661.db2.gz DUAMHPGIQGTLFA-UHFFFAOYSA-N -2 3 294.279 1.103 20 0 CDADHL CC(C)(C)C[C@H](NC(=O)c1ccc(O)cc1[O-])C(=O)[O-] ZINC000401381237 973360552 /nfs/dbraw/zinc/36/05/52/973360552.db2.gz ZOBNNCIXCMGTMS-JTQLQIEISA-N -2 3 281.308 1.717 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]Cc2ccccc2)c1 ZINC000694160962 976672813 /nfs/dbraw/zinc/67/28/13/976672813.db2.gz YBLDDDGGLPLJHP-UHFFFAOYSA-N -2 3 281.289 1.456 20 0 CDADHL CO[C@H]1CN(C(=O)c2ccccc2[O-])[C@@](C)(C(=O)[O-])C1 ZINC000702725718 977107116 /nfs/dbraw/zinc/10/71/16/977107116.db2.gz CPKLUWBYHCNUHY-YMTOWFKASA-N -2 3 279.292 1.096 20 0 CDADHL Cc1cccc([O-])c1C(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C ZINC000706610259 977355739 /nfs/dbraw/zinc/35/57/39/977355739.db2.gz LCCAPLLXMWZJME-NXEZZACHSA-N -2 3 263.293 1.636 20 0 CDADHL Cc1cccc([O-])c1C(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC000706610265 977357009 /nfs/dbraw/zinc/35/70/09/977357009.db2.gz LCCAPLLXMWZJME-VHSXEESVSA-N -2 3 263.293 1.636 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H]2CC23CCC3)c1 ZINC000721189791 978095640 /nfs/dbraw/zinc/09/56/40/978095640.db2.gz VNNYRYBTDHGLBI-QMMMGPOBSA-N -2 3 271.294 1.199 20 0 CDADHL CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)/C=C/C(=O)[O-])c1 ZINC001589199487 985633415 /nfs/dbraw/zinc/63/34/15/985633415.db2.gz OJNLXAQDIVDNRM-HFSLJOEWSA-N -2 3 292.291 1.110 20 0 CDADHL C[C@@H]1C[C@H](C(=O)Nc2ccc(Cl)cc2[O-])O[C@H]1C(=O)[O-] ZINC001599875623 989415078 /nfs/dbraw/zinc/41/50/78/989415078.db2.gz CONVTBLHCBKOFE-DIMCTHFVSA-N -2 3 299.710 1.862 20 0 CDADHL CC(C)C1([N-]S(=O)(=O)c2csnc2C(=O)[O-])CC1 ZINC001591067476 991511542 /nfs/dbraw/zinc/51/15/42/991511542.db2.gz ASDAWAVRFSNKAS-UHFFFAOYSA-N -2 3 290.366 1.308 20 0 CDADHL COc1cc(C(=O)[N-]c2nc(C)c(C(=O)[O-])s2)on1 ZINC001599356926 998194752 /nfs/dbraw/zinc/19/47/52/998194752.db2.gz WNSRFZVEDMBIHU-UHFFFAOYSA-N -2 3 283.265 1.399 20 0 CDADHL C[C@H]([N-]S(=O)(=O)c1ccccc1F)[C@H](C)C(=O)[O-] ZINC000133159914 342069835 /nfs/dbraw/zinc/06/98/35/342069835.db2.gz WGVRYCMGFPELNV-YUMQZZPRSA-N -2 3 275.301 1.213 20 0 CDADHL CCC(CC)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134660768 342071296 /nfs/dbraw/zinc/07/12/96/342071296.db2.gz NWYSSMWGTFXVKU-UHFFFAOYSA-N -2 3 278.355 1.308 20 0 CDADHL Cc1ccc(F)c(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)c1 ZINC000149926121 342071336 /nfs/dbraw/zinc/07/13/36/342071336.db2.gz UVITXJZHVZMVFY-UHFFFAOYSA-N -2 3 287.312 1.420 20 0 CDADHL CCOC(=O)c1ncc(NC(=O)c2cc(F)ccc2[O-])[n-]1 ZINC000618919363 349556338 /nfs/dbraw/zinc/55/63/38/349556338.db2.gz JBVOJKKOEMMRQN-UHFFFAOYSA-N -2 3 293.254 1.683 20 0 CDADHL CCOC(=O)c1nc(NC(=O)c2cc(F)ccc2[O-])c[n-]1 ZINC000618919363 349556341 /nfs/dbraw/zinc/55/63/41/349556341.db2.gz JBVOJKKOEMMRQN-UHFFFAOYSA-N -2 3 293.254 1.683 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@H]2C=C[C@@H](C(=O)[O-])C2)c(F)c1 ZINC000404997630 361854208 /nfs/dbraw/zinc/85/42/08/361854208.db2.gz HSSYQBMXEMWYQO-ZJUUUORDSA-N -2 3 299.323 1.442 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CC2)c(F)c1 ZINC000405019320 361857085 /nfs/dbraw/zinc/85/70/85/361857085.db2.gz WAKSEUVDFOYLTM-LLVKDONJSA-N -2 3 287.312 1.276 20 0 CDADHL Cc1ncc(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)s1 ZINC000235970256 342232417 /nfs/dbraw/zinc/23/24/17/342232417.db2.gz WIDJKPOWZTTZME-UHFFFAOYSA-N -2 3 290.366 1.127 20 0 CDADHL COCCN(CC(=O)[O-])Cc1cc([O-])ccc1Cl ZINC000629485098 362084642 /nfs/dbraw/zinc/08/46/42/362084642.db2.gz CXFGEOYGVVROOX-UHFFFAOYSA-N -2 3 273.716 1.579 20 0 CDADHL CCC[C@H](NC(=O)c1cc(CC)ccc1[O-])c1nnn[n-]1 ZINC000092424827 342412228 /nfs/dbraw/zinc/41/22/28/342412228.db2.gz QYQNTCMKVDVWLE-NSHDSACASA-N -2 3 289.339 1.739 20 0 CDADHL CCC[C@H](NC(=O)c1cc(CC)ccc1[O-])c1nn[n-]n1 ZINC000092424827 342412229 /nfs/dbraw/zinc/41/22/29/342412229.db2.gz QYQNTCMKVDVWLE-NSHDSACASA-N -2 3 289.339 1.739 20 0 CDADHL C[C@H]1CCN(C(=O)c2cc(=O)[nH][n-]2)c2c([O-])cccc21 ZINC000613577350 347788767 /nfs/dbraw/zinc/78/87/67/347788767.db2.gz PTOFIJQDHBBOQS-QMMMGPOBSA-N -2 3 273.292 1.975 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC(C2CC2)C2CC2)o1 ZINC000088455165 349268119 /nfs/dbraw/zinc/26/81/19/349268119.db2.gz PEJXQURVDLGYTJ-UHFFFAOYSA-N -2 3 299.348 1.692 20 0 CDADHL CC1CC(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC000622039889 350947332 /nfs/dbraw/zinc/94/73/32/350947332.db2.gz WYDCUUHXIYODDH-UHFFFAOYSA-N -2 3 290.366 1.166 20 0 CDADHL COc1cccc(C(=O)N[C@H](CC(C)C)C(=O)[O-])c1[O-] ZINC000019480325 358073374 /nfs/dbraw/zinc/07/33/74/358073374.db2.gz RITNIIWAHRZOKQ-SNVBAGLBSA-N -2 3 281.308 1.630 20 0 CDADHL Cc1ncc(CNC(=O)c2cc(F)c([O-])c(F)c2)c(=O)[n-]1 ZINC000436972682 361626758 /nfs/dbraw/zinc/62/67/58/361626758.db2.gz UQTROHBNSSZZHQ-UHFFFAOYSA-N -2 3 295.245 1.404 20 0 CDADHL O=C(c1ccc([O-])cc1F)N1CCc2nc[n-]c(=O)c2C1 ZINC000436998261 361635833 /nfs/dbraw/zinc/63/58/33/361635833.db2.gz PDQCHLVDGJGETL-UHFFFAOYSA-N -2 3 289.266 1.225 20 0 CDADHL COc1cccc(C(=O)N2CCC[C@H]2C(=O)[O-])c1[O-] ZINC000019517983 364077710 /nfs/dbraw/zinc/07/77/10/364077710.db2.gz NLQBNPLVEINKGI-VIFPVBQESA-N -2 3 265.265 1.090 20 0 CDADHL CCC(CC)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000034972423 364384004 /nfs/dbraw/zinc/38/40/04/364384004.db2.gz ZSLIIBNPPIKXGO-UHFFFAOYSA-N -2 3 261.299 1.445 20 0 CDADHL CC[C@H](C)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000569238318 371246778 /nfs/dbraw/zinc/24/67/78/371246778.db2.gz LHOAXRYUSYGCEX-LURJTMIESA-N -2 3 293.366 1.532 20 0 CDADHL O=C([O-])CC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000036965399 374572549 /nfs/dbraw/zinc/57/25/49/374572549.db2.gz QXPKUFMJPWQJKN-UHFFFAOYSA-N -2 3 281.692 1.232 20 0 CDADHL COc1ccc(C(=O)NC[C@H](CC2CC2)C(=O)[O-])c([O-])c1 ZINC000405426464 377818489 /nfs/dbraw/zinc/81/84/89/377818489.db2.gz ZLZHOMXZTAAPMX-JTQLQIEISA-N -2 3 293.319 1.632 20 0 CDADHL O=C(N=c1ccc([O-])n[n-]1)[C@H]1CCCC[C@H]1C1CC1 ZINC000648359383 391809937 /nfs/dbraw/zinc/80/99/37/391809937.db2.gz FGLAUVUKFRMQDI-QWRGUYRKSA-N -2 3 261.325 1.759 20 0 CDADHL C[C@@H]1SCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000646060228 391957984 /nfs/dbraw/zinc/95/79/84/391957984.db2.gz HWVXAOUYVSVRJL-POYBYMJQSA-N -2 3 291.350 1.150 20 0 CDADHL O=C([O-])[C@H]1CC[C@@H](C(=O)Nc2cc(Cl)ccc2[O-])O1 ZINC000442666573 392282545 /nfs/dbraw/zinc/28/25/45/392282545.db2.gz RUHKXMBJTUQISR-VHSXEESVSA-N -2 3 285.683 1.616 20 0 CDADHL O=C([O-])CCC[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000261676393 131161649 /nfs/dbraw/zinc/16/16/49/131161649.db2.gz LBMMAQSTTWUHEB-UHFFFAOYSA-N -2 3 295.719 1.622 20 0 CDADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C ZINC000262418502 131219120 /nfs/dbraw/zinc/21/91/20/131219120.db2.gz MSXUYXNEBIDKBS-SNVBAGLBSA-N -2 3 289.328 1.522 20 0 CDADHL Cc1cc(Br)c([O-])c([N-]S(C)(=O)=O)c1 ZINC000335794079 151025159 /nfs/dbraw/zinc/02/51/59/151025159.db2.gz HKFIGRVBIGUIPB-UHFFFAOYSA-N -2 3 280.143 1.835 20 0 CDADHL O=C(COc1cccc(Cl)c1)N=c1ccc([O-])n[n-]1 ZINC000361967652 159027675 /nfs/dbraw/zinc/02/76/75/159027675.db2.gz VNGOULYDPDURLD-UHFFFAOYSA-N -2 3 279.683 1.275 20 0 CDADHL O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cncc([O-])c1 ZINC000375047002 160339696 /nfs/dbraw/zinc/33/96/96/160339696.db2.gz OOJFYIIZQJVJEH-UHFFFAOYSA-N -2 3 282.263 1.220 20 0 CDADHL O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cncc([O-])c1 ZINC000375047002 160339699 /nfs/dbraw/zinc/33/96/99/160339699.db2.gz OOJFYIIZQJVJEH-UHFFFAOYSA-N -2 3 282.263 1.220 20 0 CDADHL CCCC[C@@H](NC(=O)c1ccc(OC)cc1[O-])C(=O)[O-] ZINC000035410484 172181717 /nfs/dbraw/zinc/18/17/17/172181717.db2.gz ISDBPTOLDCKOAS-LLVKDONJSA-N -2 3 281.308 1.774 20 0 CDADHL Cc1[n-]c(=O)nc(SCCC(C)C)c1C(=O)[O-] ZINC000036965009 172832726 /nfs/dbraw/zinc/83/27/26/172832726.db2.gz YCDYGQYYTMUTMB-UHFFFAOYSA-N -2 3 256.327 1.915 20 0 CDADHL CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ncccc1[O-] ZINC000663116579 413955699 /nfs/dbraw/zinc/95/56/99/413955699.db2.gz QJHWLXRYXCQNQX-QMMMGPOBSA-N -2 3 252.270 1.473 20 0 CDADHL O=C([O-])[C@H](C(=O)Nc1ncccc1[O-])C1CCCC1 ZINC000663117473 413955782 /nfs/dbraw/zinc/95/57/82/413955782.db2.gz YFLLZNWRDKYDTE-JTQLQIEISA-N -2 3 264.281 1.617 20 0 CDADHL O=C([O-])C[C@@H]1CCCCN1C(=O)c1ccc(O)cc1[O-] ZINC000038026306 174011434 /nfs/dbraw/zinc/01/14/34/174011434.db2.gz RYJQKZPEVDGPLJ-VIFPVBQESA-N -2 3 279.292 1.567 20 0 CDADHL Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@@](C)(C(=O)[O-])C2)n1 ZINC000518200407 260355129 /nfs/dbraw/zinc/35/51/29/260355129.db2.gz JFTLLBYFPVBKST-IINYFYTJSA-N -2 3 279.340 1.738 20 0 CDADHL Cc1cc(=O)[n-]c([C@@H](C)N2CCC[C@](C)(C(=O)[O-])C2)n1 ZINC000518200409 260355662 /nfs/dbraw/zinc/35/56/62/260355662.db2.gz JFTLLBYFPVBKST-YGRLFVJLSA-N -2 3 279.340 1.738 20 0 CDADHL CCc1ccc([O-])c(C(=O)N(CC)[C@@H](C)C(=O)[O-])c1 ZINC000663124601 424657542 /nfs/dbraw/zinc/65/75/42/424657542.db2.gz LTCBXZITLSHHRC-VIFPVBQESA-N -2 3 265.309 1.890 20 0 CDADHL CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000555575958 290226428 /nfs/dbraw/zinc/22/64/28/290226428.db2.gz RDHQFMKXPBFJSL-UHFFFAOYSA-N -2 3 292.744 1.267 20 0 CDADHL O=C(Cc1ccc2c(c1)CCCO2)N=c1ccc([O-])n[n-]1 ZINC000567355129 293766238 /nfs/dbraw/zinc/76/62/38/293766238.db2.gz SVRPHNSHOPTZGP-UHFFFAOYSA-N -2 3 285.303 1.110 20 0 CDADHL CO[C@H](C)CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)[O-] ZINC000278665790 294298683 /nfs/dbraw/zinc/29/86/83/294298683.db2.gz POWXMDDNTKQNEP-SSDOTTSWSA-N -2 3 291.300 1.301 20 0 CDADHL CC(C)[C@@H](C(=O)N=c1ccc([O-])n[n-]1)C(=O)OC(C)(C)C ZINC000570804512 294312395 /nfs/dbraw/zinc/31/23/95/294312395.db2.gz XPTIJPOJZFYQIM-NSHDSACASA-N -2 3 295.339 1.157 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H]2C=CCCC2)c1 ZINC000566175910 316502635 /nfs/dbraw/zinc/50/26/35/316502635.db2.gz DCLALRYWGUQHJX-VIFPVBQESA-N -2 3 271.294 1.365 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]CC2(C3CC3)CC2)cc1C(=O)[O-] ZINC000569452541 316782794 /nfs/dbraw/zinc/78/27/94/316782794.db2.gz MICWOPKSLLPEND-UHFFFAOYSA-N -2 3 299.348 1.755 20 0 CDADHL CC(=O)c1ccc(C(=O)N2CCCC[C@H]2C(=O)[O-])cc1[O-] ZINC000584469813 329493207 /nfs/dbraw/zinc/49/32/07/329493207.db2.gz YFQLDTXETAARJB-LBPRGKRZSA-N -2 3 291.303 1.674 20 0 CDADHL CC(F)(F)C[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000666250178 482624112 /nfs/dbraw/zinc/62/41/12/482624112.db2.gz QJOFKNMCFLHGMQ-UHFFFAOYSA-N -2 3 285.293 1.380 20 0 CDADHL CCc1nocc1C(=O)[N-]c1n[n-]c(C(F)(F)F)n1 ZINC000667013846 483054040 /nfs/dbraw/zinc/05/40/40/483054040.db2.gz IEAGZJZNKZNUAN-UHFFFAOYSA-N -2 3 275.190 1.626 20 0 CDADHL Cc1ccc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c([O-])c1 ZINC000062912961 526128095 /nfs/dbraw/zinc/12/80/95/526128095.db2.gz SOYMEFDLISYHKC-CQSZACIVSA-N -2 3 263.293 1.637 20 0 CDADHL Cc1ccc(CCC(=O)[N-]OCCCC(=O)[O-])s1 ZINC001600405594 1174464831 /nfs/dbraw/zinc/46/48/31/1174464831.db2.gz KUMPSJIPIUCJJP-UHFFFAOYSA-N -2 3 271.338 1.902 20 0 CDADHL O=C([O-])[C@H]1CCN(c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000095141555 1174496942 /nfs/dbraw/zinc/49/69/42/1174496942.db2.gz ZCCOGPWZWFOPMV-ZETCQYMHSA-N -2 3 293.714 1.431 20 0 CDADHL CC(C)(NC(=O)[O-])C(=O)NCc1ccc([O-])c(F)c1 ZINC000738750998 575095129 /nfs/dbraw/zinc/09/51/29/575095129.db2.gz AXYOHTUPNDOMFK-UHFFFAOYSA-N -2 3 270.260 1.194 20 0 CDADHL CC(C)(CC(=O)[O-])NC(=O)c1nnc2ccccc2c1[O-] ZINC000736311177 575619452 /nfs/dbraw/zinc/61/94/52/575619452.db2.gz LAPZJKFABZVLRW-UHFFFAOYSA-N -2 3 289.291 1.319 20 0 CDADHL COc1ccc([O-])c(C(=O)NCCSCCC(=O)[O-])c1 ZINC000738041824 576033638 /nfs/dbraw/zinc/03/36/38/576033638.db2.gz MDKGHOBTONHEHB-UHFFFAOYSA-N -2 3 299.348 1.339 20 0 CDADHL Cc1cc(F)cc2c(=O)c(C(=O)N[C@@H](C)C(=O)[O-])c[n-]c12 ZINC000738230032 576051213 /nfs/dbraw/zinc/05/12/13/576051213.db2.gz NZTRSUGARBLNGG-ZETCQYMHSA-N -2 3 292.266 1.179 20 0 CDADHL Cc1cccc2c(=O)c(C(=O)NCCCC(=O)[O-])c[n-]c12 ZINC000738748282 576108500 /nfs/dbraw/zinc/10/85/00/576108500.db2.gz RZZIGSCQTBKKCJ-UHFFFAOYSA-N -2 3 288.303 1.431 20 0 CDADHL O=C([N-]OCC(F)(F)F)c1n[n-]c2ccccc2c1=O ZINC000766773589 576134095 /nfs/dbraw/zinc/13/40/95/576134095.db2.gz HFUYDQUBAZXFBM-UHFFFAOYSA-N -2 3 287.197 1.559 20 0 CDADHL O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc([O-])c(F)c1 ZINC000767292192 576176505 /nfs/dbraw/zinc/17/65/05/576176505.db2.gz SXUBLCIDHBXCDJ-UHFFFAOYSA-N -2 3 299.265 1.964 20 0 CDADHL O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc([O-])c(F)c1 ZINC000767292192 576176507 /nfs/dbraw/zinc/17/65/07/576176507.db2.gz SXUBLCIDHBXCDJ-UHFFFAOYSA-N -2 3 299.265 1.964 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)Cc1cc(F)ccc1F ZINC001601995993 1175105334 /nfs/dbraw/zinc/10/53/34/1175105334.db2.gz YBBQLUOBXWBSGE-UHFFFAOYSA-N -2 3 273.235 1.420 20 0 CDADHL CCN(CC(=O)[O-])C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000038015547 600024980 /nfs/dbraw/zinc/02/49/80/600024980.db2.gz LEUZBXUPWZCMPP-UHFFFAOYSA-N -2 3 274.276 1.075 20 0 CDADHL O=C([O-])CCCC[N-]S(=O)(=O)c1cccnc1Cl ZINC000070199991 600443460 /nfs/dbraw/zinc/44/34/60/600443460.db2.gz CGNQWFIDXNUFCT-UHFFFAOYSA-N -2 3 292.744 1.268 20 0 CDADHL Nc1ccc(C(=O)Nc2nc(CC(=O)[O-])cs2)c([O-])c1 ZINC000833090911 601255035 /nfs/dbraw/zinc/25/50/35/601255035.db2.gz WABCSJDJWDJORB-UHFFFAOYSA-N -2 3 293.304 1.310 20 0 CDADHL CCc1oc(C(=O)[O-])cc1Cn1cc(Cl)c(=O)[n-]c1=O ZINC000830398071 601577148 /nfs/dbraw/zinc/57/71/48/601577148.db2.gz FQQHDMDTRCBXPP-UHFFFAOYSA-N -2 3 298.682 1.504 20 0 CDADHL C[C@H](CC(=O)[O-])SCCC[N-]C(=O)C(F)(F)F ZINC000827386602 601902054 /nfs/dbraw/zinc/90/20/54/601902054.db2.gz VXCHWCRELTWVMA-ZCFIWIBFSA-N -2 3 273.276 1.651 20 0 CDADHL Cc1cc(=O)[n-]c(CN(C)[C@@H](C(=O)[O-])c2ccccc2)n1 ZINC000832899153 602314288 /nfs/dbraw/zinc/31/42/88/602314288.db2.gz HYNOZVVKUXWDOS-CQSZACIVSA-N -2 3 287.319 1.748 20 0 CDADHL CN(CCC(=O)[O-])Cc1nc(=O)c2sccc2[n-]1 ZINC000037932807 604736674 /nfs/dbraw/zinc/73/66/74/604736674.db2.gz KZKVSJWKCZJTBJ-UHFFFAOYSA-N -2 3 267.310 1.303 20 0 CDADHL O=C([O-])c1ccc(C(=O)Nc2ncccc2[O-])cc1F ZINC000833163384 604919908 /nfs/dbraw/zinc/91/99/08/604919908.db2.gz UEANLQOSSFYJSS-UHFFFAOYSA-N -2 3 276.223 1.877 20 0 CDADHL CC(C)(CC(=O)[O-])CC(=O)Nc1ccncc1[O-] ZINC000833454837 605706923 /nfs/dbraw/zinc/70/69/23/605706923.db2.gz UPYXUXKLBIMOFQ-UHFFFAOYSA-N -2 3 252.270 1.039 20 0 CDADHL CN(CCCC(=O)[O-])Cc1nc(=O)c2sccc2[n-]1 ZINC000042716783 617371107 /nfs/dbraw/zinc/37/11/07/617371107.db2.gz HXDYMAMXBCIZIK-UHFFFAOYSA-N -2 3 281.337 1.694 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CC[C@H](C)C2)oc1C(=O)[O-] ZINC000903026144 625803390 /nfs/dbraw/zinc/80/33/90/625803390.db2.gz MQCYHWNCCXFLDC-IONNQARKSA-N -2 3 287.337 1.753 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@@H]3CCC[C@H]23)oc1C(=O)[O-] ZINC000903549687 626022669 /nfs/dbraw/zinc/02/26/69/626022669.db2.gz OTOPJJARGPBNNF-LPEHRKFASA-N -2 3 299.348 1.753 20 0 CDADHL Cc1ccc(C(=O)N[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@H]23)c([O-])c1 ZINC000907936152 627910446 /nfs/dbraw/zinc/91/04/46/627910446.db2.gz NORFNECWVZEOCD-JULQROHOSA-N -2 3 289.331 1.930 20 0 CDADHL CC[C@](C)(NC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000908925382 628432746 /nfs/dbraw/zinc/43/27/46/628432746.db2.gz NSJWCKOEXWLOBG-ZDUSSCGKSA-N -2 3 269.272 1.443 20 0 CDADHL Nc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])c([O-])c1 ZINC001608271568 1164475428 /nfs/dbraw/zinc/47/54/28/1164475428.db2.gz CJWSBZCHNUTFRV-FWDPORAESA-N -2 3 290.319 1.300 20 0 CDADHL CCc1cccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)c1[O-] ZINC001610065389 1165200534 /nfs/dbraw/zinc/20/05/34/1165200534.db2.gz RHUDRGZZZCCZGW-ONGXEEELSA-N -2 3 277.320 1.890 20 0 CDADHL C[C@H](CC(=O)[O-])Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000095224596 1166610317 /nfs/dbraw/zinc/61/03/17/1166610317.db2.gz JFWBAYREDZEWBU-ZCFIWIBFSA-N -2 3 281.703 1.795 20 0 CDADHL C[C@H](CC(=O)[O-])Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000095224596 1166610321 /nfs/dbraw/zinc/61/03/21/1166610321.db2.gz JFWBAYREDZEWBU-ZCFIWIBFSA-N -2 3 281.703 1.795 20 0 CDADHL O=C([O-])C[C@H](NC(=O)c1ccccc1[O-])c1ccncc1 ZINC001574358728 1170957632 /nfs/dbraw/zinc/95/76/32/1170957632.db2.gz XNGCVEBERLOXQD-LBPRGKRZSA-N -2 3 286.287 1.733 20 0 CDADHL Cc1ccc(C(=O)NCc2ccnc(C(=O)[O-])c2)c([O-])c1 ZINC001600341518 1174448772 /nfs/dbraw/zinc/44/87/72/1174448772.db2.gz LFFDHFHLUYDHBG-UHFFFAOYSA-N -2 3 286.287 1.724 20 0 CDADHL O=C([O-])[C@H]1CCN(c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000095141555 1174496939 /nfs/dbraw/zinc/49/69/39/1174496939.db2.gz ZCCOGPWZWFOPMV-ZETCQYMHSA-N -2 3 293.714 1.431 20 0 CDADHL Cc1nc(N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc(=O)[n-]1 ZINC001600718403 1174579644 /nfs/dbraw/zinc/57/96/44/1174579644.db2.gz PGBZJSGIFWKBAG-CHWSQXEVSA-N -2 3 299.330 1.795 20 0 CDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccco1)C1CCCCC1 ZINC001601680477 1174942146 /nfs/dbraw/zinc/94/21/46/1174942146.db2.gz YGYZDECCOGKAQC-LLVKDONJSA-N -2 3 287.337 1.591 20 0 CDADHL O=C([O-])[C@H]1CN(C(=O)c2cc(=O)[n-]cn2)Cc2ccccc21 ZINC001601846427 1175034026 /nfs/dbraw/zinc/03/40/26/1175034026.db2.gz ZMRLPYYRJTYGKJ-NSHDSACASA-N -2 3 299.286 1.006 20 0 CDADHL O=C([O-])c1cncnc1N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001602546310 1175286140 /nfs/dbraw/zinc/28/61/40/1175286140.db2.gz VJQKRHPEMWBTGT-UHFFFAOYSA-N -2 3 299.290 1.068 20 0 CDADHL O=C([O-])c1coc(C(=O)NCc2ncccc2[O-])c1 ZINC001602550604 1175290574 /nfs/dbraw/zinc/29/05/74/1175290574.db2.gz MYFHBJJVJBRDRL-UHFFFAOYSA-N -2 3 262.221 1.008 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC001602556667 1175295083 /nfs/dbraw/zinc/29/50/83/1175295083.db2.gz KWPIPEHUBIFIQY-JEZHCXPESA-N -2 3 285.321 1.445 20 0 CDADHL CC[C@H](CNc1nc(C)ccc1-c1nnn[n-]1)C(=O)[O-] ZINC001604038946 1175729094 /nfs/dbraw/zinc/72/90/94/1175729094.db2.gz ACPFNVHOSJWLMI-MRVPVSSYSA-N -2 3 276.300 1.093 20 0 CDADHL CC[C@H](CNc1nc(C)ccc1-c1nn[n-]n1)C(=O)[O-] ZINC001604038946 1175729099 /nfs/dbraw/zinc/72/90/99/1175729099.db2.gz ACPFNVHOSJWLMI-MRVPVSSYSA-N -2 3 276.300 1.093 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccnc2F)cc1 ZINC000401556723 1184533518 /nfs/dbraw/zinc/53/35/18/1184533518.db2.gz DEZZNJFDPHTZHB-UHFFFAOYSA-N -2 3 296.279 1.720 20 0 CDADHL Cc1sc(N2CCc3nc[n-]c(=O)c3C2)nc1C(=O)[O-] ZINC001608070335 1164399755 /nfs/dbraw/zinc/39/97/55/1164399755.db2.gz NJTQZVMPARYZTR-UHFFFAOYSA-N -2 3 292.320 1.208 20 0 CDADHL CCc1cccc(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)c1[O-] ZINC001610065386 1165200016 /nfs/dbraw/zinc/20/00/16/1165200016.db2.gz RHUDRGZZZCCZGW-GXSJLCMTSA-N -2 3 277.320 1.890 20 0 CDADHL Cc1ccc(C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)c([O-])c1 ZINC000263346695 797883535 /nfs/dbraw/zinc/88/35/35/797883535.db2.gz OUCOLTFVDRDGKH-MNOVXSKESA-N -2 3 277.320 1.883 20 0 CDADHL O=Nc1c(=O)[n-]c(=O)[nH]c1Nc1cncc(C(=O)[O-])c1 ZINC001175840360 913802730 /nfs/dbraw/zinc/80/27/30/913802730.db2.gz MGILXBPLNFFFRY-UHFFFAOYSA-N -2 3 277.196 1.123 20 0 CDADHL C[C@H]1OCC[C@H]1COCCCCP(=O)([O-])[O-] ZINC001225023211 911595520 /nfs/dbraw/zinc/59/55/20/911595520.db2.gz WBSHUTPHNXDTKZ-ZJUUUORDSA-N -2 3 252.247 1.386 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])[C@H]1C[C@@H]1C(F)(F)F ZINC001182329300 917789194 /nfs/dbraw/zinc/78/91/94/917789194.db2.gz QKURNZAGIWNOPA-BQBZGAKWSA-N -2 3 289.190 1.259 20 0 CDADHL CCC(F)(F)C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000697555383 923501562 /nfs/dbraw/zinc/50/15/62/923501562.db2.gz QVAGZQZIOAOWOL-UHFFFAOYSA-N -2 3 297.279 1.610 20 0 CDADHL CCCCCOC(=O)NCCCCP(=O)([O-])[O-] ZINC001193786723 923886672 /nfs/dbraw/zinc/88/66/72/923886672.db2.gz MCLDZEFNIDYBSW-UHFFFAOYSA-N -2 3 267.262 1.861 20 0 CDADHL CCOC(=O)c1ccncc1S(=O)(=O)[N-]C1=CC=C[CH]1 ZINC001195664724 924689811 /nfs/dbraw/zinc/68/98/11/924689811.db2.gz DUVQTWIQCMNKCG-UHFFFAOYSA-N -2 3 293.324 1.195 20 0 CDADHL Nc1cccc(S(=O)(=O)[N-]c2cncc([O-])c2)c1 ZINC001201641052 926368736 /nfs/dbraw/zinc/36/87/36/926368736.db2.gz IEPRIFIMSSBPSO-UHFFFAOYSA-N -2 3 265.294 1.170 20 0 CDADHL O=c1[n-]nc([C@@H]2CCCN(c3cc(Cl)[n-]c(=O)n3)C2)o1 ZINC000858526661 928881029 /nfs/dbraw/zinc/88/10/29/928881029.db2.gz HFNVKIWWRTVNTP-ZCFIWIBFSA-N -2 3 297.702 1.308 20 0 CDADHL O=S(=O)(CCC1CC1)[N-]c1ccccc1-c1nn[n-]n1 ZINC000826485014 930887499 /nfs/dbraw/zinc/88/74/99/930887499.db2.gz YWQBGFFJUGGRLT-UHFFFAOYSA-N -2 3 293.352 1.409 20 0 CDADHL O=C(C[C@@H]1C[C@@H]2CC[C@H]1C2)NCCCCP(=O)([O-])[O-] ZINC001144301221 931746280 /nfs/dbraw/zinc/74/62/80/931746280.db2.gz ODLRKZOBGMSLSC-WOPDTQHZSA-N -2 3 289.312 1.887 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1cc(C2CC2)on1 ZINC001146928026 932354839 /nfs/dbraw/zinc/35/48/39/932354839.db2.gz NUQVNRDDCUJPJL-UHFFFAOYSA-N -2 3 288.240 1.240 20 0 CDADHL COc1ccc2c(c1)CC[C@@H](Oc1nc(=O)[n-]c(=O)[n-]1)C2 ZINC001227571828 942191287 /nfs/dbraw/zinc/19/12/87/942191287.db2.gz YYGNAFXFGODRML-LLVKDONJSA-N -2 3 289.291 1.228 20 0 CDADHL NC(=O)c1ccc([N-]S(=O)(=O)C2CCCC2)c([O-])c1 ZINC001259802516 945641559 /nfs/dbraw/zinc/64/15/59/945641559.db2.gz KNJMYEIOISUJQR-UHFFFAOYSA-N -2 3 284.337 1.175 20 0 CDADHL COC(=O)c1ccc([N-]S(=O)(=O)C(F)F)c([O-])c1 ZINC001259956302 945744509 /nfs/dbraw/zinc/74/45/09/945744509.db2.gz HUCRPXPCLIQLGA-UHFFFAOYSA-N -2 3 281.236 1.143 20 0 CDADHL O=C([O-])CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000095236895 949192263 /nfs/dbraw/zinc/19/22/63/949192263.db2.gz IPIKXOSZPUNJJC-UHFFFAOYSA-N -2 3 275.268 1.060 20 0 CDADHL O=C([O-])CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000095236895 949192270 /nfs/dbraw/zinc/19/22/70/949192270.db2.gz IPIKXOSZPUNJJC-UHFFFAOYSA-N -2 3 275.268 1.060 20 0 CDADHL O=C([O-])c1ccccc1CC(=O)[N-]OC1CCCC1 ZINC000228054139 949619410 /nfs/dbraw/zinc/61/94/10/949619410.db2.gz ZELKVZHJQFQHCG-UHFFFAOYSA-N -2 3 263.293 1.918 20 0 CDADHL C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1ccc(O)cc1[O-] ZINC000092916802 958182027 /nfs/dbraw/zinc/18/20/27/958182027.db2.gz JOHWETXKJIDNMT-IONNQARKSA-N -2 3 265.265 1.033 20 0 CDADHL C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)CC(=O)[O-])c1 ZINC001588450483 964097377 /nfs/dbraw/zinc/09/73/77/964097377.db2.gz NGNNIFNYZIMFGF-QMMMGPOBSA-N -2 3 292.291 1.110 20 0 CDADHL Cc1[n-][nH]c(=O)c1NC(=O)c1c([O-])cccc1F ZINC001556827431 965108513 /nfs/dbraw/zinc/10/85/13/965108513.db2.gz LHYCHVMGUVYMLF-UHFFFAOYSA-N -2 3 251.217 1.521 20 0 CDADHL O=P([O-])([O-])CCNC(=S)Nc1cc(F)cc(F)c1 ZINC001200677387 968735331 /nfs/dbraw/zinc/73/53/31/968735331.db2.gz MGEDORNJTGBTQQ-UHFFFAOYSA-N -2 3 296.235 1.429 20 0 CDADHL COC(=O)c1[n-]cnc1NC(=O)c1cccc(Cl)c1[O-] ZINC001361648945 970380207 /nfs/dbraw/zinc/38/02/07/970380207.db2.gz BRXLEWQARLDUTF-UHFFFAOYSA-N -2 3 295.682 1.808 20 0 CDADHL COC(=O)c1nc[n-]c1NC(=O)c1cccc(Cl)c1[O-] ZINC001361648945 970380218 /nfs/dbraw/zinc/38/02/18/970380218.db2.gz BRXLEWQARLDUTF-UHFFFAOYSA-N -2 3 295.682 1.808 20 0 CDADHL CC(C)c1ccc(C(=O)N2CC[C@](O)(C(=O)[O-])C2)c([O-])c1 ZINC001591941883 976463823 /nfs/dbraw/zinc/46/38/23/976463823.db2.gz ICVCNWINGMPBJM-OAHLLOKOSA-N -2 3 293.319 1.177 20 0 CDADHL O=C([O-])c1ncoc1CNC(=O)c1ccccc1[O-] ZINC000720742252 978059177 /nfs/dbraw/zinc/05/91/77/978059177.db2.gz KTOPWGPZSBPQNJ-UHFFFAOYSA-N -2 3 262.221 1.008 20 0 CDADHL CC(Cl)(Cl)C(=O)[N-]Cc1nc(C(=O)[O-])co1 ZINC001592912496 979879123 /nfs/dbraw/zinc/87/91/23/979879123.db2.gz ISBQOFKANIWGTC-UHFFFAOYSA-N -2 3 267.068 1.183 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C1CCC1 ZINC000871995191 980027120 /nfs/dbraw/zinc/02/71/20/980027120.db2.gz MUEQULAJYQMVKF-ONGXEEELSA-N -2 3 299.348 1.692 20 0 CDADHL CC[C@H](C)[C@H](Nc1ncc(-c2nnn[n-]2)cc1F)C(=O)[O-] ZINC001604500185 1163208387 /nfs/dbraw/zinc/20/83/87/1163208387.db2.gz XNYMIOWDYJYKGR-RCOVLWMOSA-N -2 3 294.290 1.312 20 0 CDADHL CC[C@H](C)[C@H](Nc1ncc(-c2nn[n-]n2)cc1F)C(=O)[O-] ZINC001604500185 1163208397 /nfs/dbraw/zinc/20/83/97/1163208397.db2.gz XNYMIOWDYJYKGR-RCOVLWMOSA-N -2 3 294.290 1.312 20 0 CDADHL Cc1n[n-]cc1C(=O)O[C@H](C(=O)[O-])C1CCCC1 ZINC001599969151 985972892 /nfs/dbraw/zinc/97/28/92/985972892.db2.gz LFOMQNISSSRGFJ-JTQLQIEISA-N -2 3 252.270 1.518 20 0 CDADHL CSc1ccc([O-])c(C(=O)N[C@@H](CCF)C(=O)[O-])c1 ZINC001599819696 988489693 /nfs/dbraw/zinc/48/96/93/988489693.db2.gz DJZXIUFDJKWUFF-VIFPVBQESA-N -2 3 287.312 1.657 20 0 CDADHL CC(C)(C)OCCCC(=O)[N-]OCCCC(=O)[O-] ZINC001590382960 989901740 /nfs/dbraw/zinc/90/17/40/989901740.db2.gz VCYVIIBLUGQCIM-UHFFFAOYSA-N -2 3 261.318 1.494 20 0 CDADHL COC(=O)c1cnc(SC[C@H]2CC(C(=O)[O-])=C(C)O2)[n-]1 ZINC001598917704 997504901 /nfs/dbraw/zinc/50/49/01/997504901.db2.gz VASIQDKGSPWBOW-SSDOTTSWSA-N -2 3 298.320 1.436 20 0 CDADHL C[C@]1([N-]S(=O)(=O)c2occc2C(=O)[O-])CC=CCC1 ZINC001594066131 997878085 /nfs/dbraw/zinc/87/80/85/997878085.db2.gz QHCDKYFZDHXDPE-LBPRGKRZSA-N -2 3 285.321 1.755 20 0 CDADHL CCC[C@H](C)CC[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001573728869 1170746568 /nfs/dbraw/zinc/74/65/68/1170746568.db2.gz QACWJCKXGKINCA-QMMMGPOBSA-N -2 3 289.357 1.213 20 0 CDADHL CCc1n[n-]c([N-]C(=O)c2cc(-c3ccccn3)no2)n1 ZINC000479125393 365553238 /nfs/dbraw/zinc/55/32/38/365553238.db2.gz BJWUWVFOGOIYFB-UHFFFAOYSA-N -2 3 284.279 1.669 20 0 CDADHL CCC[C@@H](NC(=O)c1cc(CC)ccc1[O-])c1nnn[n-]1 ZINC000092424829 342412201 /nfs/dbraw/zinc/41/22/01/342412201.db2.gz QYQNTCMKVDVWLE-LLVKDONJSA-N -2 3 289.339 1.739 20 0 CDADHL CCC[C@@H](NC(=O)c1cc(CC)ccc1[O-])c1nn[n-]n1 ZINC000092424829 342412202 /nfs/dbraw/zinc/41/22/02/342412202.db2.gz QYQNTCMKVDVWLE-LLVKDONJSA-N -2 3 289.339 1.739 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]CCC2(C)CC2)cc1C(=O)[O-] ZINC000584716237 346412528 /nfs/dbraw/zinc/41/25/28/346412528.db2.gz FKPCDSOTLRNMNF-UHFFFAOYSA-N -2 3 287.337 1.755 20 0 CDADHL COC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(OC)cc1[O-] ZINC000621998931 350924739 /nfs/dbraw/zinc/92/47/39/350924739.db2.gz FXECZMXOYUJDQA-CQSZACIVSA-N -2 3 297.307 1.010 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000569934911 363224281 /nfs/dbraw/zinc/22/42/81/363224281.db2.gz SRJWHBWRAVZQBF-SECBINFHSA-N -2 3 265.313 1.041 20 0 CDADHL Cc1cccc(C(=O)N2CCC(C(=O)[O-])CC2)c1[O-] ZINC000019441823 356485505 /nfs/dbraw/zinc/48/55/05/356485505.db2.gz VDHZNAMAYAORLC-UHFFFAOYSA-N -2 3 263.293 1.637 20 0 CDADHL CC(C)C[C@H]([N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000262453035 535322501 /nfs/dbraw/zinc/32/25/01/535322501.db2.gz ZUSYDOABIALTCQ-QMMMGPOBSA-N -2 3 261.299 1.057 20 0 CDADHL CCC[C@H](NC(=O)c1ccc(C)cc1[O-])C(=O)[O-] ZINC000036831858 356886038 /nfs/dbraw/zinc/88/60/38/356886038.db2.gz FVNBDMYOEXGNKC-JTQLQIEISA-N -2 3 251.282 1.684 20 0 CDADHL CCC[C@@H](NC(=O)c1ccc(C)cc1[O-])C(=O)[O-] ZINC000036831859 356886156 /nfs/dbraw/zinc/88/61/56/356886156.db2.gz FVNBDMYOEXGNKC-SNVBAGLBSA-N -2 3 251.282 1.684 20 0 CDADHL COC(=O)CCS(=O)(=O)[N-]c1cc(C)ccc1[O-] ZINC000042536281 357072131 /nfs/dbraw/zinc/07/21/31/357072131.db2.gz STUMZHWHPBNFNN-UHFFFAOYSA-N -2 3 273.310 1.005 20 0 CDADHL Cc1ccc([O-])c([N-]S(=O)(=O)C[C@@H]2CCCO2)c1 ZINC000063156135 357508449 /nfs/dbraw/zinc/50/84/49/357508449.db2.gz HNEOKMDTTIECFB-JTQLQIEISA-N -2 3 271.338 1.621 20 0 CDADHL O=S(=O)(CCOCC(F)(F)F)[N-]c1ccccc1[O-] ZINC000357027980 366704258 /nfs/dbraw/zinc/70/42/58/366704258.db2.gz OZHUEXSQAFZSPX-UHFFFAOYSA-N -2 3 299.270 1.713 20 0 CDADHL CCc1ccc(C(=O)NCc2cnc(C)[n-]c2=O)c([O-])c1 ZINC000436839661 361588250 /nfs/dbraw/zinc/58/82/50/361588250.db2.gz OWCQOPAOGKJSEC-UHFFFAOYSA-N -2 3 287.319 1.689 20 0 CDADHL CC[C@@H](C)CO[N-]C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000298555097 372177484 /nfs/dbraw/zinc/17/74/84/372177484.db2.gz ZASIHWJWECJTQT-IUJQDPHBSA-N -2 3 277.328 1.441 20 0 CDADHL O=C([O-])c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000238050065 391678326 /nfs/dbraw/zinc/67/83/26/391678326.db2.gz BLEZTJZANGLDID-UHFFFAOYSA-N -2 3 299.246 1.410 20 0 CDADHL O=C([O-])c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000238050065 391678331 /nfs/dbraw/zinc/67/83/31/391678331.db2.gz BLEZTJZANGLDID-UHFFFAOYSA-N -2 3 299.246 1.410 20 0 CDADHL CC[C@H](CS(=O)(=O)[N-]c1cc([O-])c(F)cc1F)OC ZINC000421165578 391823097 /nfs/dbraw/zinc/82/30/97/391823097.db2.gz MXQJKVABFWJJAE-SSDOTTSWSA-N -2 3 295.307 1.837 20 0 CDADHL C[C@@H]([C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)[O-])C1CC1 ZINC000548990687 391900138 /nfs/dbraw/zinc/90/01/38/391900138.db2.gz CHSKRRCNDHDSIP-GMSGAONNSA-N -2 3 289.378 1.526 20 0 CDADHL O=C([O-])[C@@H](CCF)[N-]S(=O)(=O)c1ccccc1Cl ZINC000656162218 413064533 /nfs/dbraw/zinc/06/45/33/413064533.db2.gz OPZLVVQHXFKJEN-MRVPVSSYSA-N -2 3 295.719 1.431 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]CCCC2CC2)cc1C(=O)[O-] ZINC000656179491 413075448 /nfs/dbraw/zinc/07/54/48/413075448.db2.gz OOFMWJMUVSDKEU-UHFFFAOYSA-N -2 3 287.337 1.755 20 0 CDADHL Cc1ccc(F)c(S(=O)(=O)[N-]CCCCC(=O)[O-])c1 ZINC000070198340 397895939 /nfs/dbraw/zinc/89/59/39/397895939.db2.gz ZYJCWKULRWDKCF-UHFFFAOYSA-N -2 3 289.328 1.667 20 0 CDADHL CC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000035651056 172327534 /nfs/dbraw/zinc/32/75/34/172327534.db2.gz FIUGOSOYKOUVOT-UHFFFAOYSA-N -2 3 293.728 1.345 20 0 CDADHL COc1ccc([O-])c(C(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000037436593 173207397 /nfs/dbraw/zinc/20/73/97/173207397.db2.gz WGONVLQTYGXVOF-VIFPVBQESA-N -2 3 279.292 1.338 20 0 CDADHL CC[C@H](C(=O)[O-])N(C)C(=O)c1cc(OC)ccc1[O-] ZINC000044613269 175217740 /nfs/dbraw/zinc/21/77/40/175217740.db2.gz FIXGFNMSDYDSTK-SNVBAGLBSA-N -2 3 267.281 1.336 20 0 CDADHL Cc1ccc(C(=O)N(CC(=O)[O-])C2CCC2)c([O-])c1 ZINC000655588284 424115489 /nfs/dbraw/zinc/11/54/89/424115489.db2.gz BJPHNQYIHOMXTH-UHFFFAOYSA-N -2 3 263.293 1.780 20 0 CDADHL Cc1ccc([O-])c(C(=O)N(CC(=O)[O-])C2CCOCC2)c1 ZINC000556460188 290269622 /nfs/dbraw/zinc/26/96/22/290269622.db2.gz PHMTYFMKDCWYSO-UHFFFAOYSA-N -2 3 293.319 1.406 20 0 CDADHL CN=c1[n-]nc(SCc2ncccc2[O-])s1 ZINC000571040630 294356342 /nfs/dbraw/zinc/35/63/42/294356342.db2.gz XDLXVHZYGAZCQR-UHFFFAOYSA-N -2 3 254.340 1.395 20 0 CDADHL COc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])c1 ZINC000070523721 295166230 /nfs/dbraw/zinc/16/62/30/295166230.db2.gz MIXYIZVNKABDGN-GXSJLCMTSA-N -2 3 279.292 1.384 20 0 CDADHL CC(C)=CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000578440240 323930579 /nfs/dbraw/zinc/93/05/79/323930579.db2.gz OOYCMVXUSGABFE-UHFFFAOYSA-N -2 3 273.310 1.531 20 0 CDADHL CC[C@H](C)CSc1nc(=O)[n-]c(C)c1C(=O)[O-] ZINC000050423415 523893935 /nfs/dbraw/zinc/89/39/35/523893935.db2.gz XQFSTNWCWPWUSX-LURJTMIESA-N -2 3 256.327 1.915 20 0 CDADHL Nc1ccc(C(=O)NCCCCCCC(=O)[O-])c([O-])c1 ZINC001601214738 1174793498 /nfs/dbraw/zinc/79/34/98/1174793498.db2.gz MAATUQJXUAPNCP-UHFFFAOYSA-N -2 3 280.324 1.739 20 0 CDADHL O=C(OCc1n[nH]c(=O)[n-]1)c1cc(Cl)c(Cl)[n-]1 ZINC000774913376 575251043 /nfs/dbraw/zinc/25/10/43/575251043.db2.gz TVCUDCIUMATQRC-UHFFFAOYSA-N -2 3 277.067 1.502 20 0 CDADHL C[C@H](NC(=O)c1ccc2c(c1[O-])OC(C)(C)C2)C(=O)[O-] ZINC000738225316 576050773 /nfs/dbraw/zinc/05/07/73/576050773.db2.gz DNIZSAZRGGRDLY-ZETCQYMHSA-N -2 3 279.292 1.309 20 0 CDADHL O=C([O-])c1cc(F)ccc1COC(=O)c1cncc([O-])c1 ZINC000740289211 576457881 /nfs/dbraw/zinc/45/78/81/576457881.db2.gz DNTFNCDMFRWVMM-UHFFFAOYSA-N -2 3 291.234 1.982 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)Cc1c[nH]c2cnccc12 ZINC001601996033 1175105771 /nfs/dbraw/zinc/10/57/71/1175105771.db2.gz ZLOHXHYTYZJOGP-UHFFFAOYSA-N -2 3 277.280 1.018 20 0 CDADHL COC(=O)Nc1ccc(C(=O)OCCCC(=O)[O-])cc1[O-] ZINC000820672833 597846665 /nfs/dbraw/zinc/84/66/65/597846665.db2.gz CEIXESPBLQRZHS-UHFFFAOYSA-N -2 3 297.263 1.592 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccoc2)o1 ZINC000125960045 599774034 /nfs/dbraw/zinc/77/40/34/599774034.db2.gz NETCWJTUVSWIPG-UHFFFAOYSA-N -2 3 271.250 1.049 20 0 CDADHL Cc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccn2)c([O-])c1 ZINC000832910796 600975799 /nfs/dbraw/zinc/97/57/99/600975799.db2.gz ARJRSILLIVTXQW-ZDUSSCGKSA-N -2 3 286.287 1.651 20 0 CDADHL CCc1cccc(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)c1[O-] ZINC000830259695 601801546 /nfs/dbraw/zinc/80/15/46/601801546.db2.gz DDIXRWBYBCAGJT-BXKDBHETSA-N -2 3 277.320 1.747 20 0 CDADHL CCN(C)S(=O)(=O)[N-]c1cc(C(=O)[O-])cs1 ZINC000829613682 602115121 /nfs/dbraw/zinc/11/51/21/602115121.db2.gz QASKLGTUQOMUOF-UHFFFAOYSA-N -2 3 264.328 1.055 20 0 CDADHL O=C([O-])N1CCC([N-]C(=O)C(F)(F)C(F)F)CC1 ZINC000831941744 604246451 /nfs/dbraw/zinc/24/64/51/604246451.db2.gz HOHGOTFXJIWELC-UHFFFAOYSA-N -2 3 272.198 1.145 20 0 CDADHL O=C([O-])c1ccc(C(=O)NCc2ccc([O-])c(F)c2)nc1 ZINC000833311240 604370967 /nfs/dbraw/zinc/37/09/67/604370967.db2.gz DLKXOLBHQZFSNF-UHFFFAOYSA-N -2 3 290.250 1.555 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC3CCC2CC3)o1 ZINC000312897862 604660079 /nfs/dbraw/zinc/66/00/79/604660079.db2.gz XXCWYMNTPMRAIB-UDNWOFFPSA-N -2 3 299.348 1.835 20 0 CDADHL O=C([O-])[C@H]1CCCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000908597620 628286376 /nfs/dbraw/zinc/28/63/76/628286376.db2.gz LWIIHWWKFNOCAK-JTQLQIEISA-N -2 3 281.283 1.397 20 0 CDADHL O=C([O-])[C@@H]1[C@@H](O)CCCN1C(=O)c1cc([O-])ccc1Cl ZINC000911640109 629360913 /nfs/dbraw/zinc/36/09/13/629360913.db2.gz WRWUAJRZPGNQLS-QWRGUYRKSA-N -2 3 299.710 1.096 20 0 CDADHL CCc1nc(Sc2c(C)[n-][nH]c2=O)[n-]c(=O)c1C ZINC000917841732 632287833 /nfs/dbraw/zinc/28/78/33/632287833.db2.gz AZAPAUZKOSKPFU-MRVPVSSYSA-N -2 3 266.326 1.019 20 0 CDADHL CSCCO[N-]C(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000794185203 1162463518 /nfs/dbraw/zinc/46/35/18/1162463518.db2.gz ZMMQKRKGVUICSS-UHFFFAOYSA-N -2 3 285.369 1.638 20 0 CDADHL O=C(Nc1ccsc1)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001606945407 1164037249 /nfs/dbraw/zinc/03/72/49/1164037249.db2.gz VXWRAKGBIVGLFC-UHFFFAOYSA-N -2 3 287.304 1.886 20 0 CDADHL O=C([O-])[C@H](CNc1ccc(-c2nnn[n-]2)nc1)CC1CC1 ZINC001606959957 1164038814 /nfs/dbraw/zinc/03/88/14/1164038814.db2.gz NWNCXEFBQGRUNU-VIFPVBQESA-N -2 3 288.311 1.175 20 0 CDADHL O=C([O-])[C@H](CNc1ccc(-c2nn[n-]n2)nc1)CC1CC1 ZINC001606959957 1164038822 /nfs/dbraw/zinc/03/88/22/1164038822.db2.gz NWNCXEFBQGRUNU-VIFPVBQESA-N -2 3 288.311 1.175 20 0 CDADHL O=C([O-])/C=C\c1ccc(C(=O)Nc2ncccc2[O-])o1 ZINC001608659102 1164593618 /nfs/dbraw/zinc/59/36/18/1164593618.db2.gz LDBMAAVMYAZBSO-XQRVVYSFSA-N -2 3 274.232 1.730 20 0 CDADHL C[C@@H](Nc1c(F)cc(-c2nn[n-]n2)cc1F)C(=O)[O-] ZINC001609374835 1164917386 /nfs/dbraw/zinc/91/73/86/1164917386.db2.gz BVWCBMSVOFIBLS-SCSAIBSYSA-N -2 3 269.211 1.030 20 0 CDADHL O=C([O-])CCCNc1ccc(-c2nn[n-]n2)cc1F ZINC000095152340 1166598592 /nfs/dbraw/zinc/59/85/92/1166598592.db2.gz RNLDWYVQRCASTB-UHFFFAOYSA-N -2 3 265.248 1.283 20 0 CDADHL O=C([O-])C[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000095159525 1166599768 /nfs/dbraw/zinc/59/97/68/1166599768.db2.gz LEVDYLGCNYMJPQ-GFCCVEGCSA-N -2 3 287.323 1.700 20 0 CDADHL Cc1ccc(C(=O)N[C@H](C)c2nc(C(=O)[O-])n[nH]2)c([O-])c1 ZINC001574149035 1170895785 /nfs/dbraw/zinc/89/57/85/1170895785.db2.gz HRFLUSXSYQHHRF-SSDOTTSWSA-N -2 3 290.279 1.008 20 0 CDADHL O=C([O-])c1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)[nH]1 ZINC001574965477 1171067498 /nfs/dbraw/zinc/06/74/98/1171067498.db2.gz YAFBCMHIBJJTOV-UHFFFAOYSA-N -2 3 298.262 1.145 20 0 CDADHL O=C([O-])c1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)[nH]1 ZINC001574965477 1171067504 /nfs/dbraw/zinc/06/75/04/1171067504.db2.gz YAFBCMHIBJJTOV-UHFFFAOYSA-N -2 3 298.262 1.145 20 0 CDADHL Cc1cc(-c2nnn[n-]2)cc(NCCC(C)(C)C(=O)[O-])n1 ZINC001591859266 1173723415 /nfs/dbraw/zinc/72/34/15/1173723415.db2.gz XYZFURQZQFDVCL-UHFFFAOYSA-N -2 3 290.327 1.483 20 0 CDADHL Cc1cc(-c2nn[n-]n2)cc(NCCC(C)(C)C(=O)[O-])n1 ZINC001591859266 1173723420 /nfs/dbraw/zinc/72/34/20/1173723420.db2.gz XYZFURQZQFDVCL-UHFFFAOYSA-N -2 3 290.327 1.483 20 0 CDADHL O=C([O-])c1ccc(CNC(=O)c2ccc(O)cc2[O-])s1 ZINC001602342701 1175215306 /nfs/dbraw/zinc/21/53/06/1175215306.db2.gz RCQTWZDSFQFWOF-UHFFFAOYSA-N -2 3 293.300 1.788 20 0 CDADHL Cn1cc(C(=O)[O-])c(NC([O-])=NOCCC(F)(F)F)n1 ZINC001608102436 1164409891 /nfs/dbraw/zinc/40/98/91/1164409891.db2.gz JTIBNAFSWKFGHW-UHFFFAOYSA-N -2 3 296.205 1.124 20 0 CDADHL CC(C)(CCNC(=O)c1cccc2n[n-]nc21)C(=O)[O-] ZINC001609674757 1165034950 /nfs/dbraw/zinc/03/49/50/1165034950.db2.gz DDGGONGYWZAVQE-UHFFFAOYSA-N -2 3 276.296 1.189 20 0 CDADHL Cc1cc(=O)[n-]c([C@H](C)Sc2nc(C(=O)[O-])c[nH]2)n1 ZINC001610476444 1165327079 /nfs/dbraw/zinc/32/70/79/1165327079.db2.gz YQIMRVNBPHHWDX-LURJTMIESA-N -2 3 280.309 1.765 20 0 CDADHL CCCCCC[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000828806977 817895575 /nfs/dbraw/zinc/89/55/75/817895575.db2.gz GYTPNIYYZDMRTC-UHFFFAOYSA-N -2 3 292.382 1.700 20 0 CDADHL O=C([O-])C(=O)Nc1cc(Br)ccc1[O-] ZINC001143415736 896444791 /nfs/dbraw/zinc/44/47/91/896444791.db2.gz QFFKOFINNOLNCJ-UHFFFAOYSA-N -2 3 260.043 1.178 20 0 CDADHL Cc1nonc1[N-]C(=O)c1cc(F)c(F)c([O-])c1F ZINC001186770255 920167013 /nfs/dbraw/zinc/16/70/13/920167013.db2.gz CLAPNQDJFKXZGJ-UHFFFAOYSA-N -2 3 273.170 1.753 20 0 CDADHL CCOCCS(=O)(=O)[N-]c1c([O-])cccc1C(C)=O ZINC001187287740 920453786 /nfs/dbraw/zinc/45/37/86/920453786.db2.gz SKWBYUAGFNRPNR-UHFFFAOYSA-N -2 3 287.337 1.373 20 0 CDADHL Cc1nc(NC(=O)c2ccc([O-])c(F)c2F)cc(=O)[n-]1 ZINC001192828341 923273328 /nfs/dbraw/zinc/27/33/28/923273328.db2.gz QJNUZOHPSIQQGY-UHFFFAOYSA-N -2 3 281.218 1.727 20 0 CDADHL O=C(/C=C/c1ccccc1)NCCCCP(=O)([O-])[O-] ZINC001142873538 937085011 /nfs/dbraw/zinc/08/50/11/937085011.db2.gz PLDLVUGAMIOKBT-CMDGGOBGSA-N -2 3 283.264 1.774 20 0 CDADHL O=c1cc(CNc2ccccc2-c2nnn[n-]2)o[n-]1 ZINC001169485169 928076698 /nfs/dbraw/zinc/07/66/98/928076698.db2.gz IMSIRARAQQZZDM-UHFFFAOYSA-N -2 3 258.241 1.172 20 0 CDADHL O=c1cc(CNc2ccccc2-c2nn[n-]n2)o[n-]1 ZINC001169485169 928076711 /nfs/dbraw/zinc/07/67/11/928076711.db2.gz IMSIRARAQQZZDM-UHFFFAOYSA-N -2 3 258.241 1.172 20 0 CDADHL C[C@@H](CC[N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000129272034 929907017 /nfs/dbraw/zinc/90/70/17/929907017.db2.gz YRYBNFVWRDYLBL-ZETCQYMHSA-N -2 3 293.291 1.354 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1ccn2nccc2c1 ZINC001152848028 937393031 /nfs/dbraw/zinc/39/30/31/937393031.db2.gz QAQLCXJMIAAIKH-UHFFFAOYSA-N -2 3 297.251 1.022 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1c[nH]c2cnccc12 ZINC001153014634 937409976 /nfs/dbraw/zinc/40/99/76/937409976.db2.gz KJXRBOUDYWFAQO-UHFFFAOYSA-N -2 3 297.251 1.251 20 0 CDADHL Cc1c(O)nc2[n-]cnc(-c3ccc(F)c4[n-]ncc43)c1-2 ZINC001205319609 939881122 /nfs/dbraw/zinc/88/11/22/939881122.db2.gz LCNRAQLMKVLKDZ-LURJTMIESA-N -2 3 283.266 1.619 20 0 CDADHL COC(C[C@@H](C)OCCCCP(=O)([O-])[O-])OC ZINC001225018602 941814253 /nfs/dbraw/zinc/81/42/53/941814253.db2.gz BYUXJDYNFDRAFP-SECBINFHSA-N -2 3 270.262 1.358 20 0 CDADHL C[C@@H](OCCCCP(=O)([O-])[O-])c1cnccn1 ZINC001225018629 941814537 /nfs/dbraw/zinc/81/45/37/941814537.db2.gz CWEYNACSBWLOJY-SECBINFHSA-N -2 3 260.230 1.512 20 0 CDADHL COc1cccc(OC[C@@H](C)Oc2nc(=O)[n-]c(=O)[n-]2)c1 ZINC001227569514 942190475 /nfs/dbraw/zinc/19/04/75/942190475.db2.gz CELWZBOEZHFWKS-MRVPVSSYSA-N -2 3 293.279 1.138 20 0 CDADHL CC(C)Oc1cncc(COc2nc(=O)[n-]c(=O)[n-]2)c1 ZINC001227569402 942190818 /nfs/dbraw/zinc/19/08/18/942190818.db2.gz AVWYKWCZQZODBR-UHFFFAOYSA-N -2 3 278.268 1.044 20 0 CDADHL C[C@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1cccnc1F ZINC001233939803 943696834 /nfs/dbraw/zinc/69/68/34/943696834.db2.gz OJYLCMCNQFNPIF-LURJTMIESA-N -2 3 275.243 1.320 20 0 CDADHL CCOC(=O)c1ncc(NC(=O)CCCCC(=O)[O-])[n-]1 ZINC001591279081 951112466 /nfs/dbraw/zinc/11/24/66/951112466.db2.gz AXGCRKZWRRUNFU-UHFFFAOYSA-N -2 3 283.284 1.170 20 0 CDADHL CCOC(=O)c1nc(NC(=O)CCCCC(=O)[O-])c[n-]1 ZINC001591279081 951112478 /nfs/dbraw/zinc/11/24/78/951112478.db2.gz AXGCRKZWRRUNFU-UHFFFAOYSA-N -2 3 283.284 1.170 20 0 CDADHL CC[C@@H](CNC(=O)c1c([O-])cccc1OC)C(=O)[O-] ZINC000404604084 953379928 /nfs/dbraw/zinc/37/99/28/953379928.db2.gz AWJPSZQDCRVIBL-QMMMGPOBSA-N -2 3 267.281 1.241 20 0 CDADHL C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)C(F)F ZINC000389659853 972236978 /nfs/dbraw/zinc/23/69/78/972236978.db2.gz FHDDWMBCJXJFIB-BYPYZUCNSA-N -2 3 285.293 1.378 20 0 CDADHL CC(C)([N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000040910677 957381354 /nfs/dbraw/zinc/38/13/54/957381354.db2.gz MJBPDXNIKCSDAN-UHFFFAOYSA-N -2 3 279.264 1.106 20 0 CDADHL CC(C)c1ccc(C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c([O-])c1 ZINC001571046913 960640918 /nfs/dbraw/zinc/64/09/18/960640918.db2.gz UJOPWPNBHGBDTE-PWSUYJOCSA-N -2 3 293.319 1.176 20 0 CDADHL CC(C)[C@@H](C(=O)[O-])C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC001588809541 961513969 /nfs/dbraw/zinc/51/39/69/961513969.db2.gz QQTNHGBPTXOQDY-SECBINFHSA-N -2 3 289.295 1.162 20 0 CDADHL O=C([O-])c1ccccc1CC(=O)[N-]OCC1CCC1 ZINC000688949011 976197094 /nfs/dbraw/zinc/19/70/94/976197094.db2.gz XAAJSHGFVQGQLX-UHFFFAOYSA-N -2 3 263.293 1.775 20 0 CDADHL CCC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694211960 976684234 /nfs/dbraw/zinc/68/42/34/976684234.db2.gz NXURJFJYOTUEMO-UHFFFAOYSA-N -2 3 275.326 1.692 20 0 CDADHL C[C@@H](CC1CCC1)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871997244 980030468 /nfs/dbraw/zinc/03/04/68/980030468.db2.gz RFPMYCRCEMASPN-QMMMGPOBSA-N -2 3 287.337 1.835 20 0 CDADHL CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1conc1C)C(=O)[O-] ZINC001594951780 982661651 /nfs/dbraw/zinc/66/16/51/982661651.db2.gz BLXRMMUCGBHCPE-APPZFPTMSA-N -2 3 290.341 1.151 20 0 CDADHL C/C(=C\C(=O)[N-]OCCCC(=O)[O-])c1ccco1 ZINC001588942229 984634147 /nfs/dbraw/zinc/63/41/47/984634147.db2.gz BXBIVMRMSKWQPR-CMDGGOBGSA-N -2 3 253.254 1.596 20 0 CDADHL C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cc(=O)[n-]cn2)cc1 ZINC001589521501 987167133 /nfs/dbraw/zinc/16/71/33/987167133.db2.gz QGQHUWSJLQJXGC-QMMMGPOBSA-N -2 3 287.275 1.623 20 0 CDADHL CC(C)(CC(=O)[O-])CC(=O)[N-]OCc1ccccn1 ZINC001590635459 990323288 /nfs/dbraw/zinc/32/32/88/990323288.db2.gz OUKMEVPKERNJCL-UHFFFAOYSA-N -2 3 266.297 1.520 20 0 CDADHL COc1ccc(C(=O)[O-])cc1CN1CCCC[C@H]1C(=O)[O-] ZINC001599500277 997104565 /nfs/dbraw/zinc/10/45/65/997104565.db2.gz OHRMRRSNANSMRM-LBPRGKRZSA-N -2 3 293.319 1.833 20 0 CDADHL CON(C(=O)c1cc(C)ccc1[O-])[C@@H](C)CC(=O)[O-] ZINC001599314978 997482579 /nfs/dbraw/zinc/48/25/79/997482579.db2.gz ZKAQQOCDAPXXGY-VIFPVBQESA-N -2 3 267.281 1.567 20 0 CDADHL CCC[C@@](C)(NC(=O)c1cc(F)cc2n[n-]nc21)C(=O)[O-] ZINC001605198841 1163484217 /nfs/dbraw/zinc/48/42/17/1163484217.db2.gz RMQOQUURKANZCI-CYBMUJFWSA-N -2 3 294.286 1.470 20 0 CDADHL O=C(N=c1ccc([O-])n[n-]1)c1cccc(N2CCCC2)c1 ZINC000622847333 342261185 /nfs/dbraw/zinc/26/11/85/342261185.db2.gz QTWPQIGEECJULU-UHFFFAOYSA-N -2 3 284.319 1.457 20 0 CDADHL O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000085321352 179014988 /nfs/dbraw/zinc/01/49/88/179014988.db2.gz WHVQOYHKHUCCQO-SCZZXKLOSA-N -2 3 265.265 1.081 20 0 CDADHL Cc1[n-]n(-c2cn[n-]c(=O)c2Cl)c(=O)c1C1CC1 ZINC000634587710 356468245 /nfs/dbraw/zinc/46/82/45/356468245.db2.gz WHEKTHYLCWJTFV-MRVPVSSYSA-N -2 3 266.688 1.584 20 0 CDADHL C[C@@H](CC[N-]S(=O)(=O)c1ccco1)CC(=O)[O-] ZINC000277213906 366352040 /nfs/dbraw/zinc/35/20/40/366352040.db2.gz HBVVTIUDUACCEB-QMMMGPOBSA-N -2 3 261.299 1.059 20 0 CDADHL CCCC[C@H]([N-]S(=O)(=O)c1c(C)noc1C)C(=O)[O-] ZINC000035085627 356827500 /nfs/dbraw/zinc/82/75/00/356827500.db2.gz FQFAFDVBEOKBPT-VIFPVBQESA-N -2 3 290.341 1.213 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)sc1Cl ZINC000231807346 360482866 /nfs/dbraw/zinc/48/28/66/360482866.db2.gz KGVIRNRDPDLPFC-UHFFFAOYSA-N -2 3 295.769 1.605 20 0 CDADHL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cccs1 ZINC000131849589 361159425 /nfs/dbraw/zinc/15/94/25/361159425.db2.gz ABNLTNHYEDDKRY-MRVPVSSYSA-N -2 3 277.367 1.670 20 0 CDADHL CC1([N-]S(=O)(=O)c2csnc2C(=O)[O-])CCC1 ZINC000564208714 368338860 /nfs/dbraw/zinc/33/88/60/368338860.db2.gz REXZZBPTVITCNB-UHFFFAOYSA-N -2 3 276.339 1.062 20 0 CDADHL O=C([O-])[C@@H]1CC[C@@H](C(=O)Nc2cc(F)ccc2[O-])O1 ZINC000276116024 193218472 /nfs/dbraw/zinc/21/84/72/193218472.db2.gz LADHJTXHJXKJCS-UWVGGRQHSA-N -2 3 269.228 1.102 20 0 CDADHL CC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000575120954 371748579 /nfs/dbraw/zinc/74/85/79/371748579.db2.gz SXPWUYYRDZLOQD-UHFFFAOYSA-N -2 3 261.299 1.302 20 0 CDADHL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC000063155325 374185566 /nfs/dbraw/zinc/18/55/66/374185566.db2.gz YSWDXFYZPBWTNO-SNVBAGLBSA-N -2 3 299.348 1.614 20 0 CDADHL O=C([O-])c1ccc(C(=O)Nc2ncccc2[O-])cn1 ZINC000640137419 374284518 /nfs/dbraw/zinc/28/45/18/374284518.db2.gz NJGZKOUOZJXGSP-UHFFFAOYSA-N -2 3 259.221 1.133 20 0 CDADHL O=C([O-])CC[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000036981686 374575211 /nfs/dbraw/zinc/57/52/11/374575211.db2.gz ZONIOXZGKDKHQJ-UHFFFAOYSA-N -2 3 281.692 1.232 20 0 CDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccco1)c1cccs1 ZINC000519856292 391718233 /nfs/dbraw/zinc/71/82/33/391718233.db2.gz DQNPERPPWNTPHO-VIFPVBQESA-N -2 3 287.318 1.445 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@H](C)C(=O)[O-])c(F)cc1F ZINC000261674485 131160981 /nfs/dbraw/zinc/16/09/81/131160981.db2.gz KXAHXIUVVHDICH-ZCFIWIBFSA-N -2 3 279.264 1.025 20 0 CDADHL Cc1ccc2nc(-c3n[n-]c(C4CC4)n3)[n-]c(=O)c2c1 ZINC000574296623 392566207 /nfs/dbraw/zinc/56/62/07/392566207.db2.gz YURBHKRFIOXOFB-UHFFFAOYSA-N -2 3 267.292 1.894 20 0 CDADHL CC[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C(C)C ZINC000645958332 393434293 /nfs/dbraw/zinc/43/42/93/393434293.db2.gz IMTNVBHLODSOOT-SSDOTTSWSA-N -2 3 292.382 1.554 20 0 CDADHL CN(CCCC(=O)[O-])C(=O)c1c[n-]c2ccccc2c1=O ZINC000037456239 398080532 /nfs/dbraw/zinc/08/05/32/398080532.db2.gz VEKVVDCZZPUIBK-UHFFFAOYSA-N -2 3 288.303 1.465 20 0 CDADHL CCc1ccccc1OCCC(=O)N=c1ccc([O-])n[n-]1 ZINC000343707869 152273619 /nfs/dbraw/zinc/27/36/19/152273619.db2.gz BXNIKEZRSXXQGN-UHFFFAOYSA-N -2 3 287.319 1.574 20 0 CDADHL Cc1n[n-]cc1C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000352225692 155038463 /nfs/dbraw/zinc/03/84/63/155038463.db2.gz MVTCHVZBGBKNOI-UHFFFAOYSA-N -2 3 265.342 1.541 20 0 CDADHL Cc1cccc(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c1[O-] ZINC000035390204 172173152 /nfs/dbraw/zinc/17/31/52/172173152.db2.gz TXGKUWPRNUHAEE-NSHDSACASA-N -2 3 265.309 1.930 20 0 CDADHL CCC(C)(C)[C@H](C)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000656719216 413599326 /nfs/dbraw/zinc/59/93/26/413599326.db2.gz ZKPWTHBRTKKJIP-ZETCQYMHSA-N -2 3 289.357 1.211 20 0 CDADHL CO[C@@](C)(C(=O)[O-])C(=O)Nc1ccc(Cl)cc1[O-] ZINC000663040646 413851867 /nfs/dbraw/zinc/85/18/67/413851867.db2.gz RJLSYMJRQFZSEJ-LLVKDONJSA-N -2 3 273.672 1.474 20 0 CDADHL CCN(C(=O)c1cccc(C)c1[O-])[C@@H](C)C(=O)[O-] ZINC000659772007 414097151 /nfs/dbraw/zinc/09/71/51/414097151.db2.gz HIORWUPPYFSFJI-VIFPVBQESA-N -2 3 251.282 1.636 20 0 CDADHL CC[C@H](C)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000663418759 414241922 /nfs/dbraw/zinc/24/19/22/414241922.db2.gz AGAVTQMCCOEIDW-ZETCQYMHSA-N -2 3 261.299 1.363 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@H](C)CC(C)C)oc1C(=O)[O-] ZINC000663422562 414243279 /nfs/dbraw/zinc/24/32/79/414243279.db2.gz LGKOJGFRNBIADX-SECBINFHSA-N -2 3 289.353 1.999 20 0 CDADHL CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccco1 ZINC000277225116 279825812 /nfs/dbraw/zinc/82/58/12/279825812.db2.gz IJGOCOVCTHJWEV-MRVPVSSYSA-N -2 3 261.299 1.057 20 0 CDADHL Cc1csc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C)c1 ZINC000562644575 293164364 /nfs/dbraw/zinc/16/43/64/293164364.db2.gz ANTQUMQMBQFFPF-VIFPVBQESA-N -2 3 291.394 1.834 20 0 CDADHL CC(C)[C@H](C(=O)N=c1ccc([O-])n[n-]1)C(=O)OC(C)(C)C ZINC000570804511 294311890 /nfs/dbraw/zinc/31/18/90/294311890.db2.gz XPTIJPOJZFYQIM-LLVKDONJSA-N -2 3 295.339 1.157 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]CC2CCCC2)c1 ZINC000572718777 294678988 /nfs/dbraw/zinc/67/89/88/294678988.db2.gz WYJZOZAQAWJSSF-UHFFFAOYSA-N -2 3 273.310 1.446 20 0 CDADHL COc1ccc([O-])c(C(=O)N2CC[C@H](C)C[C@@H]2C(=O)[O-])c1 ZINC000125411535 295165710 /nfs/dbraw/zinc/16/57/10/295165710.db2.gz MQEZCTWXSAGVCO-JOYOIKCWSA-N -2 3 293.319 1.726 20 0 CDADHL COc1cccc([C@@H]2C[C@H]2C(=O)N=c2ccc([O-])n[n-]2)c1 ZINC000576325438 317116944 /nfs/dbraw/zinc/11/69/44/317116944.db2.gz TYGNTWOCHOVDCU-NWDGAFQWSA-N -2 3 285.303 1.355 20 0 CDADHL CC(C)CN(CC(=O)[O-])Cc1nc(=O)c2sccc2[n-]1 ZINC000062743133 519711682 /nfs/dbraw/zinc/71/16/82/519711682.db2.gz HAOVXPLGSWXZRY-UHFFFAOYSA-N -2 3 295.364 1.940 20 0 CDADHL CC[C@H](C)[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000184839650 524004891 /nfs/dbraw/zinc/00/48/91/524004891.db2.gz YVZPWIKKHWJDQM-QMMMGPOBSA-N -2 3 289.328 1.909 20 0 CDADHL CN(CCC(=O)[O-])c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000095294393 1174519053 /nfs/dbraw/zinc/51/90/53/1174519053.db2.gz MCOPKQWUPNQZHB-UHFFFAOYSA-N -2 3 281.703 1.431 20 0 CDADHL CN(CCC(=O)[O-])c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000095294393 1174519058 /nfs/dbraw/zinc/51/90/58/1174519058.db2.gz MCOPKQWUPNQZHB-UHFFFAOYSA-N -2 3 281.703 1.431 20 0 CDADHL CN(CC(=O)Nc1n[n-]c(-c2ccccc2F)n1)C(=O)[O-] ZINC000737399877 575955461 /nfs/dbraw/zinc/95/54/61/575955461.db2.gz SJRVQRRJFVCITN-UHFFFAOYSA-N -2 3 293.258 1.159 20 0 CDADHL O=C([N-]Cc1ccc(-c2nnn[n-]2)cc1F)C(F)(F)F ZINC000738100574 576038440 /nfs/dbraw/zinc/03/84/40/576038440.db2.gz RMQPWMMYUBAMAA-UHFFFAOYSA-N -2 3 289.192 1.184 20 0 CDADHL O=C([N-]Cc1ccc(-c2nn[n-]n2)cc1F)C(F)(F)F ZINC000738100574 576038441 /nfs/dbraw/zinc/03/84/41/576038441.db2.gz RMQPWMMYUBAMAA-UHFFFAOYSA-N -2 3 289.192 1.184 20 0 CDADHL O=C(OCc1cc(=O)c([O-])co1)c1c(F)cc([O-])cc1F ZINC000746986742 576855130 /nfs/dbraw/zinc/85/51/30/576855130.db2.gz MRDJCURUTLHDEN-UHFFFAOYSA-N -2 3 298.197 1.686 20 0 CDADHL CC(C)C[C@H](NC(=O)c1cc2c(cc1[O-])OCO2)C(=O)[O-] ZINC000819988175 598146650 /nfs/dbraw/zinc/14/66/50/598146650.db2.gz HMTUTEGKZAYJTP-VIFPVBQESA-N -2 3 295.291 1.350 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])cc2)o1 ZINC000821098790 598164946 /nfs/dbraw/zinc/16/49/46/598164946.db2.gz RJGOHJFPAAXYQM-UHFFFAOYSA-N -2 3 295.316 1.765 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC(F)(F)C2)o1 ZINC000311980408 602008981 /nfs/dbraw/zinc/00/89/81/602008981.db2.gz CUMNTSLYBLVMPP-ZCFIWIBFSA-N -2 3 295.263 1.444 20 0 CDADHL COC[C@@](C)(CC(=O)[O-])NC(=O)c1ccccc1[O-] ZINC000833722363 604720681 /nfs/dbraw/zinc/72/06/81/604720681.db2.gz SIOXISXTSJYHKH-CYBMUJFWSA-N -2 3 267.281 1.002 20 0 CDADHL Cc1ccc(C(=O)N[C@H](C[C@H]2CCCO2)C(=O)[O-])c([O-])c1 ZINC000910583369 618290252 /nfs/dbraw/zinc/29/02/52/618290252.db2.gz CKPSOOWDOJKICS-ZYHUDNBSSA-N -2 3 293.319 1.453 20 0 CDADHL Cc1ccc(C(=O)N[C@@H](C[C@H]2CCCO2)C(=O)[O-])c([O-])c1 ZINC000910583368 618290748 /nfs/dbraw/zinc/29/07/48/618290748.db2.gz CKPSOOWDOJKICS-PWSUYJOCSA-N -2 3 293.319 1.453 20 0 CDADHL CC(C)C[C@H](CNC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909287205 628613329 /nfs/dbraw/zinc/61/33/29/628613329.db2.gz SJGPBPTYVPZGFH-LLVKDONJSA-N -2 3 297.326 1.937 20 0 CDADHL O=C([O-])C12CC(C(=O)Nc3cccc([O-])c3F)(C1)C2 ZINC000911430689 629281018 /nfs/dbraw/zinc/28/10/18/629281018.db2.gz FCHULJFWCAVZLE-UHFFFAOYSA-N -2 3 265.240 1.725 20 0 CDADHL CC(C)O[N-]C(=O)CCc1ccccc1C(=O)[O-] ZINC000911807560 629539496 /nfs/dbraw/zinc/53/94/96/629539496.db2.gz APXARZJAAKDDAL-UHFFFAOYSA-N -2 3 251.282 1.774 20 0 CDADHL Cc1ccc([O-])c(NC(=O)c2cccc(CC(=O)[O-])c2)n1 ZINC001607811607 1164305305 /nfs/dbraw/zinc/30/53/05/1164305305.db2.gz PXLHCVKIGYCMRH-UHFFFAOYSA-N -2 3 286.287 1.975 20 0 CDADHL O=C([O-])c1ccc(COC(=O)c2cccc3nn[n-]c32)nc1 ZINC001608889698 1164677278 /nfs/dbraw/zinc/67/72/78/1164677278.db2.gz OTQCMOTZKWHOOE-UHFFFAOYSA-N -2 3 298.258 1.408 20 0 CDADHL O=C([O-])c1ccc(COC(=O)c2cccc3[n-]nnc32)nc1 ZINC001608889698 1164677281 /nfs/dbraw/zinc/67/72/81/1164677281.db2.gz OTQCMOTZKWHOOE-UHFFFAOYSA-N -2 3 298.258 1.408 20 0 CDADHL O=C([O-])c1ccc(COC(=O)c2cccc3n[n-]nc32)nc1 ZINC001608889698 1164677285 /nfs/dbraw/zinc/67/72/85/1164677285.db2.gz OTQCMOTZKWHOOE-UHFFFAOYSA-N -2 3 298.258 1.408 20 0 CDADHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]C/C=C\Cl)c1 ZINC001608895757 1164678784 /nfs/dbraw/zinc/67/87/84/1164678784.db2.gz BGQKYBOAZIJBSN-RJRFIUFISA-N -2 3 293.703 1.555 20 0 CDADHL COC[C@H](NC(=O)c1cc([O-])c2ccccc2c1)C(=O)[O-] ZINC001610251968 1165273047 /nfs/dbraw/zinc/27/30/47/1165273047.db2.gz YZUOTIVHCLSNMM-LBPRGKRZSA-N -2 3 289.287 1.375 20 0 CDADHL CC(C)(CCC(=O)[O-])Nc1ccc(-c2nnn[n-]2)nc1 ZINC001589273221 1173134998 /nfs/dbraw/zinc/13/49/98/1173134998.db2.gz ZBPXUNDYTGAGPB-UHFFFAOYSA-N -2 3 276.300 1.317 20 0 CDADHL CC(C)(CCC(=O)[O-])Nc1ccc(-c2nn[n-]n2)nc1 ZINC001589273221 1173135003 /nfs/dbraw/zinc/13/50/03/1173135003.db2.gz ZBPXUNDYTGAGPB-UHFFFAOYSA-N -2 3 276.300 1.317 20 0 CDADHL O=C([O-])CNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000095141794 1174497035 /nfs/dbraw/zinc/49/70/35/1174497035.db2.gz MYNUJTKPKOMXQR-UHFFFAOYSA-N -2 3 253.649 1.017 20 0 CDADHL O=C([O-])CNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000095141794 1174497041 /nfs/dbraw/zinc/49/70/41/1174497041.db2.gz MYNUJTKPKOMXQR-UHFFFAOYSA-N -2 3 253.649 1.017 20 0 CDADHL O=C([O-])[C@@H](C[N-]C(=O)C(F)(F)F)CC1CCCC1 ZINC001601647901 1174928822 /nfs/dbraw/zinc/92/88/22/1174928822.db2.gz FGVCSLYWGJTRCZ-MRVPVSSYSA-N -2 3 267.247 1.946 20 0 CDADHL CC(=O)c1ccc(-c2nn[n-]n2)cc1N[C@@H](C)CC(=O)[O-] ZINC001602971065 1175465863 /nfs/dbraw/zinc/46/58/63/1175465863.db2.gz DBXZHACTLKAISJ-ZETCQYMHSA-N -2 3 289.295 1.344 20 0 CDADHL C[C@H](C(=O)[O-])N(C(=O)c1ccc(N)cc1[O-])C1CC1 ZINC000849365782 818843994 /nfs/dbraw/zinc/84/39/94/818843994.db2.gz BYZZPGPVSMRBME-SSDOTTSWSA-N -2 3 264.281 1.052 20 0 CDADHL O=C([N-]OCC1CCC1)c1n[n-]c2ccccc2c1=O ZINC000856349143 819890153 /nfs/dbraw/zinc/89/01/53/819890153.db2.gz HSHSBTBVWOKRHO-UHFFFAOYSA-N -2 3 273.292 1.797 20 0 CDADHL CC(C)C1(C[N-]S(=O)(=O)c2occc2C(=O)[O-])CC1 ZINC000871994270 819935095 /nfs/dbraw/zinc/93/50/95/819935095.db2.gz SYVPNRHLKHQZKF-UHFFFAOYSA-N -2 3 287.337 1.692 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]CCC2CC=CC2)c1 ZINC000724216904 820042791 /nfs/dbraw/zinc/04/27/91/820042791.db2.gz MBWDZOBZNCIYIX-UHFFFAOYSA-N -2 3 285.321 1.612 20 0 CDADHL CC[C@H](C)CCC(=O)NCCCCP(=O)([O-])[O-] ZINC001185581393 919681626 /nfs/dbraw/zinc/68/16/26/919681626.db2.gz HVRDPQUZAUTPPE-JTQLQIEISA-N -2 3 265.290 1.887 20 0 CDADHL COc1ccc(NC(=S)NCCP(=O)([O-])[O-])cc1 ZINC001195721358 924699842 /nfs/dbraw/zinc/69/98/42/924699842.db2.gz VTZDLOVNHKRNFW-UHFFFAOYSA-N -2 3 290.281 1.159 20 0 CDADHL Cc1ccc(C(=O)NCCCCP(=O)([O-])[O-])nc1 ZINC001147453596 932519396 /nfs/dbraw/zinc/51/93/96/932519396.db2.gz KAPMBOGJUQKMCB-UHFFFAOYSA-N -2 3 272.241 1.078 20 0 CDADHL O=C([O-])c1cc(Nc2cc(=O)[n-]c(=S)[nH]2)cnc1F ZINC001215101712 940857074 /nfs/dbraw/zinc/85/70/74/940857074.db2.gz LHBWVGVSMIXFOG-UHFFFAOYSA-N -2 3 282.256 1.447 20 0 CDADHL COc1cccc(-c2nc(CC(=O)[O-])no2)c1[O-] ZINC001611060789 970873683 /nfs/dbraw/zinc/87/36/83/970873683.db2.gz JNFMDPAHJALNGV-UHFFFAOYSA-N -2 3 250.210 1.078 20 0 CDADHL C[C@H](COCc1ccccc1)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227570784 942190685 /nfs/dbraw/zinc/19/06/85/942190685.db2.gz NZEWMYHNUOWDNF-SECBINFHSA-N -2 3 277.280 1.267 20 0 CDADHL CC(C)CCOC(=O)[C@H](C)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233938816 943694729 /nfs/dbraw/zinc/69/47/29/943694729.db2.gz FZVFFNXBPBWCEX-QMMMGPOBSA-N -2 3 294.311 1.003 20 0 CDADHL O=S(=O)([N-][C@@H]1[CH]CC=C1)c1cc(F)c(F)c(F)c1 ZINC001259505403 945586029 /nfs/dbraw/zinc/58/60/29/945586029.db2.gz KNVYXWLNQDLFGA-ZETCQYMHSA-N -2 3 276.259 1.915 20 0 CDADHL O=C([O-])Cc1ccc(-c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001240975364 946122875 /nfs/dbraw/zinc/12/28/75/946122875.db2.gz KUULTQCFMUIGKS-UHFFFAOYSA-N -2 3 281.275 1.556 20 0 CDADHL CNCc1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)ncn1 ZINC001242160723 946610695 /nfs/dbraw/zinc/61/06/95/946610695.db2.gz PHZSPMWXMGIYGW-UHFFFAOYSA-N -2 3 287.275 1.259 20 0 CDADHL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(=S)[n-]n2)c1 ZINC001242161369 946612299 /nfs/dbraw/zinc/61/22/99/946612299.db2.gz XZWAYXRWNUNZQZ-UHFFFAOYSA-N -3 3 276.273 1.829 20 0 CDADHL O=C([O-])CCS(=O)(=O)[N-]c1cc(F)c(F)cc1F ZINC000061093774 957572231 /nfs/dbraw/zinc/57/22/31/957572231.db2.gz KQEXVCSTVBJVEN-UHFFFAOYSA-N -2 3 283.227 1.320 20 0 CDADHL Cc1cc(F)c(CN[C@H](CCC(=O)[O-])C(=O)[O-])c(F)c1 ZINC001594310739 958013837 /nfs/dbraw/zinc/01/38/37/958013837.db2.gz KXXOPXCNVZZGTI-LLVKDONJSA-N -2 3 287.262 1.681 20 0 CDADHL O=C([O-])c1ccc(CSCCc2nnn[n-]2)cc1 ZINC000095146444 958334186 /nfs/dbraw/zinc/33/41/86/958334186.db2.gz SFNPAFDEPCOOEB-UHFFFAOYSA-N -2 3 264.310 1.374 20 0 CDADHL O=C([O-])c1ccc(CSCCc2nn[n-]n2)cc1 ZINC000095146444 958334200 /nfs/dbraw/zinc/33/42/00/958334200.db2.gz SFNPAFDEPCOOEB-UHFFFAOYSA-N -2 3 264.310 1.374 20 0 CDADHL CC(C)SCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000310678147 963423883 /nfs/dbraw/zinc/42/38/83/963423883.db2.gz KATATYCOTWZZJH-UHFFFAOYSA-N -2 3 293.366 1.398 20 0 CDADHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1cc(Cl)cs1 ZINC001454192547 968442515 /nfs/dbraw/zinc/44/25/15/968442515.db2.gz YWIXZJNEZAXHLA-UHFFFAOYSA-N -2 3 285.712 1.533 20 0 CDADHL CCc1ccc(C(=O)N[C@@H](CC)C(=O)[O-])c([O-])c1 ZINC001603969116 974454217 /nfs/dbraw/zinc/45/42/17/974454217.db2.gz YOYWPLTXCAYNPQ-JTQLQIEISA-N -2 3 251.282 1.548 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C2CC2)c1 ZINC000704704696 977243606 /nfs/dbraw/zinc/24/36/06/977243606.db2.gz DFXMNFJHKVWGAL-WPRPVWTQSA-N -2 3 285.321 1.302 20 0 CDADHL C[C@@H](CC(=O)[N-]OCCCC(=O)[O-])c1ccco1 ZINC001592252192 977481111 /nfs/dbraw/zinc/48/11/11/977481111.db2.gz LALGDBSTKOJXRS-VIFPVBQESA-N -2 3 255.270 1.686 20 0 CDADHL CCCC[C@@H](NC(=O)CCc1c(C)nc[n-]c1=O)C(=O)[O-] ZINC001595635309 981902419 /nfs/dbraw/zinc/90/24/19/981902419.db2.gz MIGZHFFOAZILDC-LLVKDONJSA-N -2 3 295.339 1.183 20 0 CDADHL C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1c(F)ccc([O-])c1F ZINC001604638227 1163261680 /nfs/dbraw/zinc/26/16/80/1163261680.db2.gz VZPHEUOIRLSSGX-SFYZADRCSA-N -2 3 271.263 1.965 20 0 CDADHL CCc1ccc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c([O-])c1 ZINC001597500535 988056778 /nfs/dbraw/zinc/05/67/78/988056778.db2.gz MUROCQUVZHFPSH-NSHDSACASA-N -2 3 293.319 1.270 20 0 CDADHL CCc1ccc(C(=O)N[C@@H](C(=O)[O-])C2CC2)c([O-])c1 ZINC001597500797 988059750 /nfs/dbraw/zinc/05/97/50/988059750.db2.gz WESFVQCAESEBIO-GFCCVEGCSA-N -2 3 263.293 1.548 20 0 CDADHL CCc1cccc(C(=O)N2C[C@H](C)O[C@H](C(=O)[O-])C2)c1[O-] ZINC001597570365 988342443 /nfs/dbraw/zinc/34/24/43/988342443.db2.gz FNFUFTYRACDDJR-CABZTGNLSA-N -2 3 293.319 1.269 20 0 CDADHL CSc1nc(NC(=O)c2ccc(C)c(C(=O)[O-])c2)n[n-]1 ZINC001599828713 988637185 /nfs/dbraw/zinc/63/71/85/988637185.db2.gz CBPLIXKAEUDYIW-UHFFFAOYSA-N -2 3 292.320 1.786 20 0 CDADHL C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC001594158720 998588559 /nfs/dbraw/zinc/58/85/59/998588559.db2.gz LMEJQSIFNMBECW-YUMQZZPRSA-N -2 3 293.275 1.056 20 0 CDADHL CCCSC[C@@H]([N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000616328752 341987664 /nfs/dbraw/zinc/98/76/64/341987664.db2.gz YWKRHRQDKOZTRZ-MRVPVSSYSA-N -2 3 293.366 1.154 20 0 CDADHL CN(C)c1cnc(-c2nc3ccc([O-])cc3c(=O)[n-]2)cn1 ZINC000436929054 539045227 /nfs/dbraw/zinc/04/52/27/539045227.db2.gz CXLMRUFKRGQJLE-UHFFFAOYSA-N -2 3 283.291 1.564 20 0 CDADHL COc1ccc([O-])c(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c1 ZINC000035389891 539138612 /nfs/dbraw/zinc/13/86/12/539138612.db2.gz IAPZSYIVJKXNND-NSHDSACASA-N -2 3 281.308 1.630 20 0 CDADHL O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccs1 ZINC000085327026 179018723 /nfs/dbraw/zinc/01/87/23/179018723.db2.gz MKECURYCIUODFI-SFYZADRCSA-N -2 3 275.351 1.280 20 0 CDADHL C[C@@H]1CCN(C(=O)c2ccccc2[O-])C[C@@H]1C(=O)[O-] ZINC000584720854 346414947 /nfs/dbraw/zinc/41/49/47/346414947.db2.gz XHAVRKWOVFEFCU-KOLCDFICSA-N -2 3 263.293 1.575 20 0 CDADHL CCCCOCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000040507477 346489998 /nfs/dbraw/zinc/48/99/98/346489998.db2.gz RMMSEYAFONLTDD-UHFFFAOYSA-N -2 3 291.325 1.073 20 0 CDADHL CCC[C@@H](NC(=O)c1cc(OC)ccc1[O-])c1nnn[n-]1 ZINC000092424796 180383838 /nfs/dbraw/zinc/38/38/38/180383838.db2.gz MVEGIEMTKLYHID-SNVBAGLBSA-N -2 3 291.311 1.185 20 0 CDADHL CCC[C@@H](NC(=O)c1cc(OC)ccc1[O-])c1nn[n-]n1 ZINC000092424796 180383840 /nfs/dbraw/zinc/38/38/40/180383840.db2.gz MVEGIEMTKLYHID-SNVBAGLBSA-N -2 3 291.311 1.185 20 0 CDADHL COc1ccc(C(=O)N[C@H](CC(C)C)C(=O)[O-])c([O-])c1 ZINC000019517053 358102600 /nfs/dbraw/zinc/10/26/00/358102600.db2.gz JLOJNGOGKAMGKF-LLVKDONJSA-N -2 3 281.308 1.630 20 0 CDADHL O=C(N=c1ccc([O-])n[n-]1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000637130849 359253539 /nfs/dbraw/zinc/25/35/39/359253539.db2.gz VCCZMGSPBRWNNV-CYBMUJFWSA-N -2 3 298.346 1.065 20 0 CDADHL CC[C@H](CS(=O)(=O)[N-]c1cccc(C)c1[O-])OC ZINC000643269540 359279482 /nfs/dbraw/zinc/27/94/82/359279482.db2.gz WGZIYDFEAFRGMC-SNVBAGLBSA-N -2 3 273.354 1.867 20 0 CDADHL COc1ccc(C(=O)NC(C)(C)CCC(=O)[O-])c([O-])c1 ZINC000050195072 359619466 /nfs/dbraw/zinc/61/94/66/359619466.db2.gz LXLMKBPSASQWIA-UHFFFAOYSA-N -2 3 281.308 1.774 20 0 CDADHL COc1cccc2c(C(=O)N=c3nc(C)[n-]s3)n[n-]c21 ZINC000348740604 360546558 /nfs/dbraw/zinc/54/65/58/360546558.db2.gz NZVMPTFECZWCTO-UHFFFAOYSA-N -2 3 289.320 1.406 20 0 CDADHL COc1cccc2c(C(=O)N=c3nc(C)[n-]s3)[n-]nc21 ZINC000348740604 360546561 /nfs/dbraw/zinc/54/65/61/360546561.db2.gz NZVMPTFECZWCTO-UHFFFAOYSA-N -2 3 289.320 1.406 20 0 CDADHL CCC(=O)c1ccc([O-])c(NC(=O)c2c[n-]nn2)c1 ZINC000436647533 361550609 /nfs/dbraw/zinc/55/06/09/361550609.db2.gz QVGPRTBAJYUIKU-UHFFFAOYSA-N -2 3 260.253 1.355 20 0 CDADHL CCC(=O)c1ccc([O-])c(NC(=O)c2cnn[n-]2)c1 ZINC000436647533 361550615 /nfs/dbraw/zinc/55/06/15/361550615.db2.gz QVGPRTBAJYUIKU-UHFFFAOYSA-N -2 3 260.253 1.355 20 0 CDADHL CCC(=O)c1ccc([O-])c(NC(=O)c2cn[n-]n2)c1 ZINC000436647533 361550620 /nfs/dbraw/zinc/55/06/20/361550620.db2.gz QVGPRTBAJYUIKU-UHFFFAOYSA-N -2 3 260.253 1.355 20 0 CDADHL CSc1nnc(NC(=O)c2c([O-])cccc2F)[n-]1 ZINC000436962386 361623135 /nfs/dbraw/zinc/62/31/35/361623135.db2.gz LQNZTWQGHUOKGT-UHFFFAOYSA-N -2 3 268.273 1.624 20 0 CDADHL CSc1n[n-]c(NC(=O)c2c([O-])cccc2F)n1 ZINC000436962386 361623139 /nfs/dbraw/zinc/62/31/39/361623139.db2.gz LQNZTWQGHUOKGT-UHFFFAOYSA-N -2 3 268.273 1.624 20 0 CDADHL CSc1nc(NC(=O)c2c([O-])cccc2F)n[n-]1 ZINC000436962386 361623142 /nfs/dbraw/zinc/62/31/42/361623142.db2.gz LQNZTWQGHUOKGT-UHFFFAOYSA-N -2 3 268.273 1.624 20 0 CDADHL O=C([O-])[C@H](CC(F)F)[N-]S(=O)(=O)c1ccccc1F ZINC000275175929 371200568 /nfs/dbraw/zinc/20/05/68/371200568.db2.gz CRBKVJNUENFFHQ-ZETCQYMHSA-N -2 3 297.254 1.212 20 0 CDADHL CCc1cccc(C(=O)NCCc2c(C)[n-][nH]c2=O)c1[O-] ZINC000530955024 390410552 /nfs/dbraw/zinc/41/05/52/390410552.db2.gz UTXPCYLKVMMPPK-LLVKDONJSA-N -2 3 289.335 1.196 20 0 CDADHL C/C=C/C[C@H](NC(=O)c1ccc(C)cc1[O-])C(=O)[O-] ZINC000262771003 533453722 /nfs/dbraw/zinc/45/37/22/533453722.db2.gz HHADPIXVQSZNPX-UFFNRZRYSA-N -2 3 263.293 1.850 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CC[C@@](C(=O)[O-])(C(C)C)C2)n1 ZINC000563965846 391336097 /nfs/dbraw/zinc/33/60/97/391336097.db2.gz FGYYMLSAHDWMGQ-HNNXBMFYSA-N -2 3 293.367 1.677 20 0 CDADHL Cc1[n-][nH]c(=O)c1NC(=O)c1c(F)ccc([O-])c1F ZINC000647816696 391806034 /nfs/dbraw/zinc/80/60/34/391806034.db2.gz QPXICDIHOSVAGK-UHFFFAOYSA-N -2 3 269.207 1.660 20 0 CDADHL COC[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(C)cc2[O-])C1 ZINC000262766276 131260311 /nfs/dbraw/zinc/26/03/11/131260311.db2.gz GMNIKQQQJCJRFK-HNNXBMFYSA-N -2 3 293.319 1.264 20 0 CDADHL CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000645941276 393411384 /nfs/dbraw/zinc/41/13/84/393411384.db2.gz YGNOFYGXHKGTTR-SSDOTTSWSA-N -2 3 261.299 1.445 20 0 CDADHL O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(O)cc1[O-] ZINC000108710261 147249286 /nfs/dbraw/zinc/24/92/86/147249286.db2.gz UOFRSMVPSHTVDJ-UHFFFAOYSA-N -2 3 297.274 1.530 20 0 CDADHL COc1ccc([O-])c(C(=O)N([C@H](C)C(=O)[O-])C2CC2)c1 ZINC000262069496 149008172 /nfs/dbraw/zinc/00/81/72/149008172.db2.gz CRFBHUSUHZXDJN-MRVPVSSYSA-N -2 3 279.292 1.479 20 0 CDADHL Cc1ccc(C(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)c([O-])c1 ZINC000262808305 149115896 /nfs/dbraw/zinc/11/58/96/149115896.db2.gz NTWMAVGGERBULJ-GWCFXTLKSA-N -2 3 293.319 1.310 20 0 CDADHL COc1cccc(CCC(=O)N=c2ccc([O-])n[n-]2)c1F ZINC000343722988 152279486 /nfs/dbraw/zinc/27/94/86/152279486.db2.gz MXYOMFQWHBVBQK-UHFFFAOYSA-N -2 3 291.282 1.323 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]C2(C)CCCC2)oc1C(=O)[O-] ZINC000663419699 414244951 /nfs/dbraw/zinc/24/49/51/414244951.db2.gz UAIBJDUIPKPTKL-UHFFFAOYSA-N -2 3 287.337 1.897 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]CCc2ccoc2)oc1C(=O)[O-] ZINC000663427438 414247126 /nfs/dbraw/zinc/24/71/26/414247126.db2.gz HZFOCKWRNWOZIY-UHFFFAOYSA-N -2 3 299.304 1.400 20 0 CDADHL CC1(C)CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000517735877 259999712 /nfs/dbraw/zinc/99/97/12/259999712.db2.gz ANCSSGXWWZLKLU-VIFPVBQESA-N -2 3 287.337 1.835 20 0 CDADHL CC(C)Oc1ccc(N[C@H](C)C(=O)[O-])cc1-c1nnn[n-]1 ZINC001589758755 1173172991 /nfs/dbraw/zinc/17/29/91/1173172991.db2.gz MXLFOXSNQOMKLM-MRVPVSSYSA-N -2 3 291.311 1.539 20 0 CDADHL CC(C)Oc1ccc(N[C@H](C)C(=O)[O-])cc1-c1nn[n-]n1 ZINC001589758755 1173172997 /nfs/dbraw/zinc/17/29/97/1173172997.db2.gz MXLFOXSNQOMKLM-MRVPVSSYSA-N -2 3 291.311 1.539 20 0 CDADHL COc1cccc(C(=O)N(CC(=O)[O-])C2CCC2)c1[O-] ZINC000655589298 424115824 /nfs/dbraw/zinc/11/58/24/424115824.db2.gz ZSOXLBHYCUCWDU-UHFFFAOYSA-N -2 3 279.292 1.480 20 0 CDADHL Cc1cc(=O)[n-]c([C@H](C)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)n1 ZINC000652513012 424516445 /nfs/dbraw/zinc/51/64/45/424516445.db2.gz TYOVBKZZMATZIQ-ZMLRMANQSA-N -2 3 291.351 1.594 20 0 CDADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@H]1CC12CCCCC2 ZINC000395746038 270344114 /nfs/dbraw/zinc/34/41/14/270344114.db2.gz MCDOZETXGKQFIL-VIFPVBQESA-N -2 3 299.352 1.109 20 0 CDADHL Cc1cccc(C(=O)N(CC(=O)[O-])C2CCOCC2)c1[O-] ZINC000551322577 290005111 /nfs/dbraw/zinc/00/51/11/290005111.db2.gz OEPGERFLQQMBNG-UHFFFAOYSA-N -2 3 293.319 1.406 20 0 CDADHL COc1ccsc1S(=O)(=O)[N-][C@@H](C)[C@@H](C)C(=O)[O-] ZINC000556702045 290284824 /nfs/dbraw/zinc/28/48/24/290284824.db2.gz BOSGBMUYGZANGU-RQJHMYQMSA-N -2 3 293.366 1.144 20 0 CDADHL CCCC[C@@H](Sc1nc2c(cnn2C)c(=O)[n-]1)C(=O)[O-] ZINC000574770447 295052936 /nfs/dbraw/zinc/05/29/36/295052936.db2.gz LQBUXVQTNRARMF-MRVPVSSYSA-N -2 3 296.352 1.804 20 0 CDADHL O=C(c1cccc([O-])c1)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000580649874 324523011 /nfs/dbraw/zinc/52/30/11/324523011.db2.gz NKLRRBCFYBTZCI-SNVBAGLBSA-N -2 3 288.307 1.236 20 0 CDADHL Cc1cc(C)c(S(=O)(=O)[N-][C@@H](CF)C(=O)[O-])s1 ZINC000583320424 325151039 /nfs/dbraw/zinc/15/10/39/325151039.db2.gz TVNLMAURDVXMKS-ZETCQYMHSA-N -2 3 281.330 1.066 20 0 CDADHL O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc([O-])c(F)c1 ZINC000681039919 482665662 /nfs/dbraw/zinc/66/56/62/482665662.db2.gz RUICJJZOHZEJTF-UHFFFAOYSA-N -2 3 299.265 1.964 20 0 CDADHL O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc([O-])c(F)c1 ZINC000681039919 482665666 /nfs/dbraw/zinc/66/56/66/482665666.db2.gz RUICJJZOHZEJTF-UHFFFAOYSA-N -2 3 299.265 1.964 20 0 CDADHL CC1(C)C[C@H]1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000232901822 482874797 /nfs/dbraw/zinc/87/47/97/482874797.db2.gz JGYYCQMXFWECED-ZETCQYMHSA-N -2 3 273.310 1.302 20 0 CDADHL O=C([O-])c1ccc(NCc2ccc([O-])c(F)c2)nn1 ZINC000740161837 574534567 /nfs/dbraw/zinc/53/45/67/574534567.db2.gz ROMIAGVTUBXZLU-UHFFFAOYSA-N -2 3 263.228 1.632 20 0 CDADHL O=C([O-])COCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000743411907 576638485 /nfs/dbraw/zinc/63/84/85/576638485.db2.gz GNHMSQFSCIFLGP-UHFFFAOYSA-N -2 3 259.645 1.085 20 0 CDADHL CO[N-]C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000745492862 576732110 /nfs/dbraw/zinc/73/21/10/576732110.db2.gz IIWGFOYLIYRLEA-UHFFFAOYSA-N -2 3 288.307 1.163 20 0 CDADHL CC(C)(CC(=O)Nc1sccc1-c1nnn[n-]1)C(=O)[O-] ZINC000735664518 575499327 /nfs/dbraw/zinc/49/93/27/575499327.db2.gz KMBJQSWVUVPCFU-UHFFFAOYSA-N -2 3 295.324 1.368 20 0 CDADHL CC(C)(CC(=O)Nc1sccc1-c1nn[n-]n1)C(=O)[O-] ZINC000735664518 575499329 /nfs/dbraw/zinc/49/93/29/575499329.db2.gz KMBJQSWVUVPCFU-UHFFFAOYSA-N -2 3 295.324 1.368 20 0 CDADHL CSc1nc(NC(=O)c2cccc(C(=O)[O-])c2)n[n-]1 ZINC000820912673 598142222 /nfs/dbraw/zinc/14/22/22/598142222.db2.gz JGPQIAMEFBXMRH-UHFFFAOYSA-N -2 3 278.293 1.477 20 0 CDADHL Cc1cnccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000111043330 600520107 /nfs/dbraw/zinc/52/01/07/600520107.db2.gz JRFDUGMWCSVUIP-UHFFFAOYSA-N -2 3 292.316 1.889 20 0 CDADHL CCOCc1nc(=O)c2c(C)c(C(=O)[O-])sc2[n-]1 ZINC000830022868 600845898 /nfs/dbraw/zinc/84/58/98/600845898.db2.gz ZKQRQGWWEUJSNO-UHFFFAOYSA-N -2 3 268.294 1.528 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCSC2)o1 ZINC000136335551 601218034 /nfs/dbraw/zinc/21/80/34/601218034.db2.gz UMMZHCGGOYMYEA-SSDOTTSWSA-N -2 3 291.350 1.152 20 0 CDADHL CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1ccccc1[O-] ZINC000827010697 604392678 /nfs/dbraw/zinc/39/26/78/604392678.db2.gz IXVJVQGDVBIUGV-NSHDSACASA-N -2 3 281.308 1.342 20 0 CDADHL O=C([O-])[C@H]1CCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000909613466 620509420 /nfs/dbraw/zinc/50/94/20/620509420.db2.gz XZTXAYKILDUBOV-SNVBAGLBSA-N -2 3 267.256 1.149 20 0 CDADHL O=C([O-])C12CCC(C(=O)[N-]OC[C@@H]3CCOC3)(CC1)C2 ZINC000911804135 629534191 /nfs/dbraw/zinc/53/41/91/629534191.db2.gz XDCMZNGZWFOXSE-GWMXKSKGSA-N -2 3 283.324 1.106 20 0 CDADHL O=C([O-])[C@@H](O)CCNC(=O)c1cc([O-])c2ccccc2c1 ZINC001608450378 1164518423 /nfs/dbraw/zinc/51/84/23/1164518423.db2.gz TUUQCBUUGXCJFS-LBPRGKRZSA-N -2 3 289.287 1.111 20 0 CDADHL O=C([O-])C[C@H](CNC(=O)c1cccc2n[n-]nc21)C1CC1 ZINC001608667652 1164596783 /nfs/dbraw/zinc/59/67/83/1164596783.db2.gz OGZGMVIRSZUQCY-SECBINFHSA-N -2 3 288.307 1.189 20 0 CDADHL O=C([O-])CC1(CNC(=O)c2ccc(O)cc2[O-])CCCC1 ZINC001608679634 1164601491 /nfs/dbraw/zinc/60/14/91/1164601491.db2.gz CIKHERYACKTKDM-UHFFFAOYSA-N -2 3 293.319 1.863 20 0 CDADHL CO[C@@H](C)CS(=O)(=O)[N-]c1cc(C)sc1C(=O)[O-] ZINC001606666174 1167904953 /nfs/dbraw/zinc/90/49/53/1167904953.db2.gz GCHQSDZLJQZQHG-LURJTMIESA-N -2 3 293.366 1.531 20 0 CDADHL C[C@@H](Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)[O-] ZINC000095203230 1174509737 /nfs/dbraw/zinc/50/97/37/1174509737.db2.gz CHJFNSVSVQUKCA-RXMQYKEDSA-N -2 3 267.676 1.405 20 0 CDADHL O=C([O-])C12CC(C(=O)Nc3n[n-]c(-c4ccccn4)n3)(C1)C2 ZINC001601729324 1174972270 /nfs/dbraw/zinc/97/22/70/1174972270.db2.gz CXEQUZGGFMFSCP-UHFFFAOYSA-N -2 3 299.290 1.060 20 0 CDADHL O=C([O-])C12CCC(C(=O)[N-]OC3CCOCC3)(CC1)C2 ZINC001601730984 1174973117 /nfs/dbraw/zinc/97/31/17/1174973117.db2.gz QEGPKQNMDKNVJZ-UHFFFAOYSA-N -2 3 283.324 1.248 20 0 CDADHL O=C([O-])c1ccc2c(c1)CN(C(=O)c1cc(=O)[n-]cn1)CC2 ZINC001602419793 1175235385 /nfs/dbraw/zinc/23/53/85/1175235385.db2.gz GXKFOTJQNVZTCI-UHFFFAOYSA-N -2 3 299.286 1.079 20 0 CDADHL CCOc1nc(NC(=O)c2coc(C=CC(=O)[O-])c2)n[n-]1 ZINC001603885181 1175669888 /nfs/dbraw/zinc/66/98/88/1175669888.db2.gz MAVAGCUYGVVAKS-ARJAWSKDSA-N -2 3 292.251 1.147 20 0 CDADHL CCOc1n[n-]c(NC(=O)c2coc(C=CC(=O)[O-])c2)n1 ZINC001603885181 1175669892 /nfs/dbraw/zinc/66/98/92/1175669892.db2.gz MAVAGCUYGVVAKS-ARJAWSKDSA-N -2 3 292.251 1.147 20 0 CDADHL CC(C)OCCO[N-]C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC001603925719 1175687552 /nfs/dbraw/zinc/68/75/52/1175687552.db2.gz RHXKPHRHRASNEE-ARJAWSKDSA-N -2 3 283.280 1.464 20 0 CDADHL C[C@@H](/C=C\C(=O)[O-])NC(=O)c1cc([O-])ccc1Cl ZINC001604059653 1175738666 /nfs/dbraw/zinc/73/86/66/1175738666.db2.gz NMIWRRKVSOWNKM-KVFVURRZSA-N -2 3 269.684 1.805 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]C[C@@H](C)C2CC2)cc1C(=O)[O-] ZINC001608056567 1164395889 /nfs/dbraw/zinc/39/58/89/1164395889.db2.gz PXEIAOCUQORURS-SSDOTTSWSA-N -2 3 287.337 1.611 20 0 CDADHL O=C([N-]OC1CCCC1)c1n[n-]c2ccccc2c1=O ZINC000775277222 824204327 /nfs/dbraw/zinc/20/43/27/824204327.db2.gz UDJSVYLYCXKUTD-UHFFFAOYSA-N -2 3 273.292 1.939 20 0 CDADHL CCc1ncc(S(=O)(=O)[N-]CC[C@H](C)C(=O)[O-])s1 ZINC000776588463 824366709 /nfs/dbraw/zinc/36/67/09/824366709.db2.gz GNZDCMYHNHZREC-ZETCQYMHSA-N -2 3 292.382 1.095 20 0 CDADHL C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(N)cc1[O-] ZINC000844936645 824728780 /nfs/dbraw/zinc/72/87/80/824728780.db2.gz YHHLTFOUZKZVML-DTWKUNHWSA-N -2 3 278.308 1.300 20 0 CDADHL COc1ncc[n-]c1=NNC(=O)c1ccc(Cl)cc1[O-] ZINC000184370814 826171191 /nfs/dbraw/zinc/17/11/91/826171191.db2.gz BYAODDQHWNMVIJ-UHFFFAOYSA-N -2 3 294.698 1.601 20 0 CDADHL Nc1ccc(C(=O)N(CC(=O)[O-])C2CCC2)c([O-])c1 ZINC000846758614 828157787 /nfs/dbraw/zinc/15/77/87/828157787.db2.gz QFZVONWFTTXGSU-UHFFFAOYSA-N -2 3 264.281 1.054 20 0 CDADHL CC[C@@H](C)[C@@H](Sc1ncc(C(=O)OC)[n-]1)C(=O)[O-] ZINC001604941862 1167874996 /nfs/dbraw/zinc/87/49/96/1167874996.db2.gz AVZPMGHKDLBMQW-HTRCEHHLSA-N -2 3 272.326 1.788 20 0 CDADHL Cc1nc(CC(=O)NCCCCP(=O)([O-])[O-])cs1 ZINC001176139981 913949907 /nfs/dbraw/zinc/94/99/07/913949907.db2.gz MLXXMKNUDDTRPF-UHFFFAOYSA-N -2 3 292.297 1.068 20 0 CDADHL COC(=O)[C@@H](OCCP(=O)([O-])[O-])c1ccccc1F ZINC001224603913 909916711 /nfs/dbraw/zinc/91/67/11/909916711.db2.gz CQTGPLVEVIUOGI-JTQLQIEISA-N -2 3 292.199 1.234 20 0 CDADHL C[C@H](CC(=O)NCCCCP(=O)([O-])[O-])C(F)(F)F ZINC001180091210 916131322 /nfs/dbraw/zinc/13/13/22/916131322.db2.gz RWHOCNATDDPIDW-SSDOTTSWSA-N -2 3 291.206 1.649 20 0 CDADHL O=C(Nc1[n-]c(=O)nc2nc[nH]c21)c1ccc([O-])cc1F ZINC001186339275 920007008 /nfs/dbraw/zinc/00/70/08/920007008.db2.gz AMAFXMIMQKGJHS-UHFFFAOYSA-N -2 3 289.226 1.156 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1ccnc(C2CC2)c1 ZINC001193017775 923415667 /nfs/dbraw/zinc/41/56/67/923415667.db2.gz IZNQYLWXKJVQIM-UHFFFAOYSA-N -2 3 298.279 1.647 20 0 CDADHL COc1nc(Cl)ccc1S(=O)(=O)[N-][C@@H]1[CH]CC=C1 ZINC001198730503 925503423 /nfs/dbraw/zinc/50/34/23/925503423.db2.gz MFXCMUNAVWLYCZ-QMMMGPOBSA-N -2 3 287.748 1.555 20 0 CDADHL Cc1ccc(C(=O)NCCCCP(=O)([O-])[O-])c(O)c1 ZINC001148505868 932729967 /nfs/dbraw/zinc/72/99/67/932729967.db2.gz JJIOQWGSIKPVSS-UHFFFAOYSA-N -2 3 287.252 1.388 20 0 CDADHL O=P([O-])([O-])CCO[C@H]1CCc2ccccc2C1 ZINC001224603123 941774227 /nfs/dbraw/zinc/77/42/27/941774227.db2.gz VLLKPBAHGKPDIW-LBPRGKRZSA-N -2 3 256.238 1.738 20 0 CDADHL C[C@H](COCc1ccccc1)OCCP(=O)([O-])[O-] ZINC001224604532 941774265 /nfs/dbraw/zinc/77/42/65/941774265.db2.gz DEWPDMDEAISXEZ-LLVKDONJSA-N -2 3 274.253 1.786 20 0 CDADHL C[C@H](O)CCCC(=O)Oc1nc2ncnc-2c([S-])[n-]1 ZINC001226784292 942070155 /nfs/dbraw/zinc/07/01/55/942070155.db2.gz GDFDVLMFFLCZAZ-LURJTMIESA-N -2 3 282.325 1.098 20 0 CDADHL CCOC(=O)C1CC(Oc2nc3ncnc-3c([S-])[n-]2)C1 ZINC001226785775 942070326 /nfs/dbraw/zinc/07/03/26/942070326.db2.gz OOYXRIUMZZPAGR-UHFFFAOYSA-N -2 3 294.336 1.362 20 0 CDADHL CC1=C(Oc2nc3ncnc-3c([S-])[n-]2)C(=O)O[C@@H]1C ZINC001226786347 942072446 /nfs/dbraw/zinc/07/24/46/942072446.db2.gz PWPNZMMSSHABGB-RXMQYKEDSA-N -2 3 278.293 1.240 20 0 CDADHL COc1cccc(-c2nc([C@@H](C)C(=O)[O-])no2)c1[O-] ZINC001611060899 970874515 /nfs/dbraw/zinc/87/45/15/970874515.db2.gz ZUXSWFUJXUKYPH-ZCFIWIBFSA-N -2 3 264.237 1.639 20 0 CDADHL O=c1nc(O[C@H](c2ccccc2)c2ccccn2)[n-]c(=O)[n-]1 ZINC001227571320 942191138 /nfs/dbraw/zinc/19/11/38/942191138.db2.gz RQZRRIVNWZGAEH-GFCCVEGCSA-N -2 3 296.286 1.846 20 0 CDADHL CC[C@H]1CCCC[C@H]1Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233934615 943693322 /nfs/dbraw/zinc/69/33/22/943693322.db2.gz MFHMHPZQJGNWEM-WCBMZHEXSA-N -2 3 262.313 1.994 20 0 CDADHL O=C([O-])c1ccc(-c2cncc(-c3nnn[n-]3)c2)cc1 ZINC001236064196 944397894 /nfs/dbraw/zinc/39/78/94/944397894.db2.gz BJHOSCILWZMIBC-UHFFFAOYSA-N -2 3 267.248 1.627 20 0 CDADHL O=C([O-])c1ccc(-c2cncc(-c3nn[n-]n3)c2)cc1 ZINC001236064196 944397900 /nfs/dbraw/zinc/39/79/00/944397900.db2.gz BJHOSCILWZMIBC-UHFFFAOYSA-N -2 3 267.248 1.627 20 0 CDADHL CC(C)C[C@@H](Nc1cc(-c2nnn[n-]2)ccn1)C(=O)[O-] ZINC000103569933 944620951 /nfs/dbraw/zinc/62/09/51/944620951.db2.gz SNIJYDKZRWBLQC-SECBINFHSA-N -2 3 276.300 1.173 20 0 CDADHL CC(C)C[C@@H](Nc1cc(-c2nn[n-]n2)ccn1)C(=O)[O-] ZINC000103569933 944620956 /nfs/dbraw/zinc/62/09/56/944620956.db2.gz SNIJYDKZRWBLQC-SECBINFHSA-N -2 3 276.300 1.173 20 0 CDADHL CCOc1nc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)n[n-]1 ZINC000380253349 971687314 /nfs/dbraw/zinc/68/73/14/971687314.db2.gz OGFCXUJMAMJTKT-JGVFFNPUSA-N -2 3 282.300 1.033 20 0 CDADHL CCOc1n[n-]c(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000380253349 971687316 /nfs/dbraw/zinc/68/73/16/971687316.db2.gz OGFCXUJMAMJTKT-JGVFFNPUSA-N -2 3 282.300 1.033 20 0 CDADHL O=C([O-])CC[C@H]1CCCCN1C(=O)c1cc(=O)[n-]cn1 ZINC001595011947 951250710 /nfs/dbraw/zinc/25/07/10/951250710.db2.gz CAQKZHOESWBFMH-SECBINFHSA-N -2 3 279.296 1.042 20 0 CDADHL O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1cccc([O-])c1F ZINC001595180784 952251162 /nfs/dbraw/zinc/25/11/62/952251162.db2.gz YXBOASAJJATGFK-RNFRBKRXSA-N -2 3 253.229 1.581 20 0 CDADHL CCOC(=O)c1cnc(NC(=O)c2c([O-])cccc2F)[n-]1 ZINC001363212086 971982998 /nfs/dbraw/zinc/98/29/98/971982998.db2.gz VNXIFKWBLSYWNA-UHFFFAOYSA-N -2 3 293.254 1.683 20 0 CDADHL CCOC(=O)c1c[n-]c(NC(=O)c2c([O-])cccc2F)n1 ZINC001363212086 971983004 /nfs/dbraw/zinc/98/30/04/971983004.db2.gz VNXIFKWBLSYWNA-UHFFFAOYSA-N -2 3 293.254 1.683 20 0 CDADHL CC(C)([N-]S(=O)(=O)c1scnc1C(=O)[O-])C1CC1 ZINC000232530241 960281211 /nfs/dbraw/zinc/28/12/11/960281211.db2.gz GQCPEQLUPSBOGS-UHFFFAOYSA-N -2 3 290.366 1.308 20 0 CDADHL O=C([O-])[C@@H]1CCCN(Cc2ccc([O-])c(F)c2F)C1 ZINC001574355870 961003159 /nfs/dbraw/zinc/00/31/59/961003159.db2.gz QDKBSMIJLITEAS-SECBINFHSA-N -2 3 271.263 1.967 20 0 CDADHL CCc1ccc(C(=O)NC[C@@H](C)C(=O)[O-])c([O-])c1 ZINC001573954970 961667513 /nfs/dbraw/zinc/66/75/13/961667513.db2.gz TVYMJKMOAIKQRA-MRVPVSSYSA-N -2 3 251.282 1.405 20 0 CDADHL O=C([O-])CCC(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001574681920 962590069 /nfs/dbraw/zinc/59/00/69/962590069.db2.gz NLCRHNQULKLHMG-MGCOHNPYSA-N -2 3 293.323 1.189 20 0 CDADHL O=C([O-])CCCC(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC001574697564 962670040 /nfs/dbraw/zinc/67/00/40/962670040.db2.gz RSKUYQYNJRWXMJ-UHFFFAOYSA-N -2 3 293.323 1.321 20 0 CDADHL COc1cccc([O-])c1C(=O)NCC1(C(=O)[O-])CCC1 ZINC000404643606 968327184 /nfs/dbraw/zinc/32/71/84/968327184.db2.gz NAEIWFRILRITHI-UHFFFAOYSA-N -2 3 279.292 1.386 20 0 CDADHL C[C@H](C(=O)[O-])N(C(=O)c1cc2c(cc1[O-])OCO2)C1CC1 ZINC001609708319 970485828 /nfs/dbraw/zinc/48/58/28/970485828.db2.gz CRYFAASKRHFSEY-SSDOTTSWSA-N -2 3 293.275 1.199 20 0 CDADHL O=C(Nc1c[n-][nH]c1=O)c1cc(Cl)ccc1[O-] ZINC001472569586 970667503 /nfs/dbraw/zinc/66/75/03/970667503.db2.gz LMHYNPIBKOLDTA-UHFFFAOYSA-N -2 3 253.645 1.727 20 0 CDADHL CCOC(=O)c1ncc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)[n-]1 ZINC001603818609 974298324 /nfs/dbraw/zinc/29/83/24/974298324.db2.gz JOTLEKMCNZSOOY-QMMMGPOBSA-N -2 3 297.311 1.272 20 0 CDADHL CCOC(=O)c1nc(NC(=O)[C@@H](C(=O)[O-])C(C)(C)C)c[n-]1 ZINC001603818609 974298331 /nfs/dbraw/zinc/29/83/31/974298331.db2.gz JOTLEKMCNZSOOY-QMMMGPOBSA-N -2 3 297.311 1.272 20 0 CDADHL CC1(C)CC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694189968 976678075 /nfs/dbraw/zinc/67/80/75/976678075.db2.gz UBVDLFOTJPYKHM-MRVPVSSYSA-N -2 3 273.310 1.445 20 0 CDADHL CC1(C2([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)CC2)CC1 ZINC000694196082 976680974 /nfs/dbraw/zinc/68/09/74/976680974.db2.gz OFXPMESLNGVTHG-UHFFFAOYSA-N -2 3 285.321 1.589 20 0 CDADHL Cc1n[n-]cc1C(=O)O[C@H](Cc1ccccc1)C(=O)[O-] ZINC001599968992 985969783 /nfs/dbraw/zinc/96/97/83/985969783.db2.gz BCSIYSZCMBAKIQ-GFCCVEGCSA-N -2 3 274.276 1.571 20 0 CDADHL CC(=O)c1cccc(NC(=O)C23CC(C(=O)[O-])(C2)C3)c1[O-] ZINC001589311175 986092788 /nfs/dbraw/zinc/09/27/88/986092788.db2.gz LZIQIDPCQIMVPH-UHFFFAOYSA-N -2 3 289.287 1.788 20 0 CDADHL C[C@H](C(=O)[O-])c1cccc(NC(=O)c2c[n-]nn2)c1 ZINC001589533147 987222301 /nfs/dbraw/zinc/22/23/01/987222301.db2.gz YDLFMYAEPUCALA-ZETCQYMHSA-N -2 3 260.253 1.245 20 0 CDADHL C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cn[n-]n2)c1 ZINC001589533147 987222311 /nfs/dbraw/zinc/22/23/11/987222311.db2.gz YDLFMYAEPUCALA-ZETCQYMHSA-N -2 3 260.253 1.245 20 0 CDADHL COc1ccc(C(=O)N([C@@H](C)C(=O)[O-])C2CCC2)c([O-])c1 ZINC001599479521 998585057 /nfs/dbraw/zinc/58/50/57/998585057.db2.gz ZSVHQDVLEXCNMF-VIFPVBQESA-N -2 3 293.319 1.869 20 0 CDADHL Cc1nsc(NCCCCC(=O)[O-])c1-c1nnn[n-]1 ZINC001606158980 1163791570 /nfs/dbraw/zinc/79/15/70/1163791570.db2.gz UCTVQUSVZFFFQX-UHFFFAOYSA-N -2 3 282.329 1.298 20 0 CDADHL CC1CC(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000622039574 350946716 /nfs/dbraw/zinc/94/67/16/350946716.db2.gz KXHFRGOMJYGWBR-UHFFFAOYSA-N -2 3 273.310 1.302 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CCCC[C@H]2C(=O)[O-])n1 ZINC000158468333 188377411 /nfs/dbraw/zinc/37/74/11/188377411.db2.gz WOIBSPZDNQBFIW-JTQLQIEISA-N -2 3 265.313 1.184 20 0 CDADHL COc1ccc(C(=O)N2CCC[C@](C)(C(=O)[O-])C2)c([O-])c1 ZINC000062868358 357584175 /nfs/dbraw/zinc/58/41/75/357584175.db2.gz VFRQBAWGXPXIEM-HNNXBMFYSA-N -2 3 293.319 1.728 20 0 CDADHL COc1cccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1[O-] ZINC000019505581 358099426 /nfs/dbraw/zinc/09/94/26/358099426.db2.gz YCEBGFILKUGFAT-SECBINFHSA-N -2 3 279.292 1.338 20 0 CDADHL Cc1ccc([O-])c([N-]S(=O)(=O)CCOC(C)C)c1 ZINC000093666436 358624406 /nfs/dbraw/zinc/62/44/06/358624406.db2.gz WAJPEAJYZXYBQF-UHFFFAOYSA-N -2 3 273.354 1.867 20 0 CDADHL CC(C)C[C@@H](C[N-]S(=O)(=O)c1ccccn1)C(=O)[O-] ZINC000424390146 360035303 /nfs/dbraw/zinc/03/53/03/360035303.db2.gz JMPHOQPVZAEXHT-JTQLQIEISA-N -2 3 286.353 1.107 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]C(C)(C)C(C)C)cc1C(=O)[O-] ZINC000565056596 360834687 /nfs/dbraw/zinc/83/46/87/360834687.db2.gz RFLCYTPOPAVQHT-UHFFFAOYSA-N -2 3 289.353 1.999 20 0 CDADHL FC(F)(F)c1nnc(CN=c2[n-]nc(C3CC3)s2)[n-]1 ZINC000359713998 361727120 /nfs/dbraw/zinc/72/71/20/361727120.db2.gz NCAIIFVPCSMXJD-UHFFFAOYSA-N -2 3 290.274 1.586 20 0 CDADHL FC(F)(F)c1nc(CN=c2[n-]nc(C3CC3)s2)n[n-]1 ZINC000359713998 361727127 /nfs/dbraw/zinc/72/71/27/361727127.db2.gz NCAIIFVPCSMXJD-UHFFFAOYSA-N -2 3 290.274 1.586 20 0 CDADHL FC(F)(F)c1n[n-]c(CN=c2[n-]nc(C3CC3)s2)n1 ZINC000359713998 361727130 /nfs/dbraw/zinc/72/71/30/361727130.db2.gz NCAIIFVPCSMXJD-UHFFFAOYSA-N -2 3 290.274 1.586 20 0 CDADHL CC[C@@H](CC[N-]S(=O)(=O)c1cc(C)cs1)C(=O)[O-] ZINC000568964423 294129171 /nfs/dbraw/zinc/12/91/71/294129171.db2.gz PZWSXVCVWOWRMY-VIFPVBQESA-N -2 3 291.394 1.836 20 0 CDADHL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000270413306 364588855 /nfs/dbraw/zinc/58/88/55/364588855.db2.gz CPYOKMDGGFCABP-RXMQYKEDSA-N -2 3 297.254 1.245 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])c(F)c1 ZINC000275359861 193010407 /nfs/dbraw/zinc/01/04/07/193010407.db2.gz XIQSWKFJJGSUFS-UHFFFAOYSA-N -2 3 289.328 1.523 20 0 CDADHL O=C([O-])CCCCCNC(=O)NCc1ccc([O-])c(F)c1 ZINC000414627746 241281894 /nfs/dbraw/zinc/28/18/94/241281894.db2.gz MAWXJJVWBBEUFO-UHFFFAOYSA-N -2 3 298.314 1.976 20 0 CDADHL CC(C)C(C)(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000565954420 370575046 /nfs/dbraw/zinc/57/50/46/370575046.db2.gz NUXNNKGZGMLBAG-UHFFFAOYSA-N -2 3 275.326 1.691 20 0 CDADHL O=S(=O)(CCOCC1CC1)[N-]c1ccccc1[O-] ZINC000578231318 372360368 /nfs/dbraw/zinc/36/03/68/372360368.db2.gz GEIAJQZGCJOJKF-UHFFFAOYSA-N -2 3 271.338 1.561 20 0 CDADHL O=C([O-])[C@@H]1CCCCCN1C(=O)c1ccc2n[n-]nc2c1 ZINC000081004045 374487827 /nfs/dbraw/zinc/48/78/27/374487827.db2.gz HSSCOWSJYIEOFS-LBPRGKRZSA-N -2 3 288.307 1.427 20 0 CDADHL CC[C@H](CS(=O)(=O)[N-]c1ccc(C)cc1[O-])OC ZINC000421138971 391824264 /nfs/dbraw/zinc/82/42/64/391824264.db2.gz JJKJMXHYMMADTK-SNVBAGLBSA-N -2 3 273.354 1.867 20 0 CDADHL C/C=C\C[C@@H]([N-]S(=O)(=O)c1cc(C)cs1)C(=O)[O-] ZINC000646041458 391928763 /nfs/dbraw/zinc/92/87/63/391928763.db2.gz YNPHQLLBPGHVGJ-ZBJFTSOASA-N -2 3 289.378 1.754 20 0 CDADHL CC(C)[C@@H](C(=O)N=c1ccc([O-])n[n-]1)c1cccnc1 ZINC000439141101 392018804 /nfs/dbraw/zinc/01/88/04/392018804.db2.gz RHXYRKNCTADKMW-CYBMUJFWSA-N -2 3 272.308 1.377 20 0 CDADHL Cc1cccc(F)c1S(=O)(=O)[N-]CCCC(=O)[O-] ZINC000262417337 131219380 /nfs/dbraw/zinc/21/93/80/131219380.db2.gz MJRWIBMDUGPPBG-UHFFFAOYSA-N -2 3 275.301 1.277 20 0 CDADHL Cc1ccc(-c2cc(C(=O)N=c3[n-]nc(C)n3C)n[n-]2)o1 ZINC000345391977 397640697 /nfs/dbraw/zinc/64/06/97/397640697.db2.gz NFEAAVTZBRHLNI-UHFFFAOYSA-N -2 3 286.295 1.089 20 0 CDADHL Cc1ccc(-c2cc(C(=O)N=c3[n-]nc(C)n3C)[n-]n2)o1 ZINC000345391977 397640701 /nfs/dbraw/zinc/64/07/01/397640701.db2.gz NFEAAVTZBRHLNI-UHFFFAOYSA-N -2 3 286.295 1.089 20 0 CDADHL CCC[C@@](C)([N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000036339915 398000511 /nfs/dbraw/zinc/00/05/11/398000511.db2.gz ZGWQQNOCTMCGFS-SNVBAGLBSA-N -2 3 277.367 1.670 20 0 CDADHL O=C(Nc1ccccc1[O-])c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000346565887 153229460 /nfs/dbraw/zinc/22/94/60/153229460.db2.gz KVTGAXCCJVWPIZ-UHFFFAOYSA-N -2 3 297.270 1.988 20 0 CDADHL Cn1cnc([N-]C(=O)c2c(F)ccc([O-])c2F)n1 ZINC000349405758 154109507 /nfs/dbraw/zinc/10/95/07/154109507.db2.gz AQQRHFNEZITVBF-UHFFFAOYSA-N -2 3 254.196 1.051 20 0 CDADHL O=C(N=c1[n-]ncn1C1CC1)c1cc(-c2ccco2)[n-]n1 ZINC000356178993 157385826 /nfs/dbraw/zinc/38/58/26/157385826.db2.gz FBBMAXQKARMEGJ-UHFFFAOYSA-N -2 3 284.279 1.270 20 0 CDADHL O=C(N=c1[n-]ncn1C1CC1)c1cc(-c2ccco2)n[n-]1 ZINC000356178993 157385829 /nfs/dbraw/zinc/38/58/29/157385829.db2.gz FBBMAXQKARMEGJ-UHFFFAOYSA-N -2 3 284.279 1.270 20 0 CDADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@]12C[C@@H]1CCC2 ZINC000656717253 413595258 /nfs/dbraw/zinc/59/52/58/413595258.db2.gz LXSHBMRQNKNGMS-WKEGUHRASA-N -2 3 288.350 1.062 20 0 CDADHL COc1ccc(C(=O)N(CC(=O)[O-])CC(C)(C)C)c([O-])c1 ZINC000663138366 413989230 /nfs/dbraw/zinc/98/92/30/413989230.db2.gz XDJPFJBXOOBWFD-UHFFFAOYSA-N -2 3 295.335 1.974 20 0 CDADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2C)cc1C(=O)[O-] ZINC000517931055 260322594 /nfs/dbraw/zinc/32/25/94/260322594.db2.gz VEENLZSFCZGCCY-OIBJUYFYSA-N -2 3 287.337 1.753 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CC[C@H](C(=O)[O-])[C@H](C)C2)n1 ZINC000652496289 424495932 /nfs/dbraw/zinc/49/59/32/424495932.db2.gz QXMOJWVRPWXWMT-KOLCDFICSA-N -2 3 279.340 1.287 20 0 CDADHL COCCN(CC(=O)[O-])C(=O)c1cc(SC)ccc1[O-] ZINC000659759505 424457463 /nfs/dbraw/zinc/45/74/63/424457463.db2.gz CEIJSFCMCSAEHK-UHFFFAOYSA-N -2 3 299.348 1.287 20 0 CDADHL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccco1 ZINC000277225124 280226090 /nfs/dbraw/zinc/22/60/90/280226090.db2.gz IJGOCOVCTHJWEV-QMMMGPOBSA-N -2 3 261.299 1.057 20 0 CDADHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000570497775 294249805 /nfs/dbraw/zinc/24/98/05/294249805.db2.gz VHFWOEGQPZKOJP-QMMMGPOBSA-N -2 3 275.326 1.447 20 0 CDADHL CCC(CC)([N-]S(=O)(=O)c1ccc(C)o1)C(=O)[O-] ZINC000571759308 294499696 /nfs/dbraw/zinc/49/96/96/294499696.db2.gz JXZWRIYVHKHMSQ-UHFFFAOYSA-N -2 3 275.326 1.510 20 0 CDADHL Cc1oc(C)c(S(=O)(=O)[N-]CC[C@H](C)F)c1C(=O)[O-] ZINC000414346894 302871427 /nfs/dbraw/zinc/87/14/27/302871427.db2.gz VPPKESUOHSEESD-LURJTMIESA-N -2 3 293.316 1.621 20 0 CDADHL CCc1cc(=O)[n-]c(CN(CC(=O)[O-])C2CCC2)n1 ZINC000575762449 317010785 /nfs/dbraw/zinc/01/07/85/317010785.db2.gz UWEYKJPUTSBBJY-UHFFFAOYSA-N -2 3 265.313 1.184 20 0 CDADHL O=C([O-])[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccco2)C1 ZINC000581942113 324865108 /nfs/dbraw/zinc/86/51/08/324865108.db2.gz WTIKRYQUXWTOSB-RKDXNWHRSA-N -2 3 273.310 1.201 20 0 CDADHL CCn1nccc1C=Cc1ncc(C(=O)[O-])c(=O)[n-]1 ZINC000670369877 482845070 /nfs/dbraw/zinc/84/50/70/482845070.db2.gz HLPKYNJQWCKUTH-ARJAWSKDSA-N -2 3 260.253 1.267 20 0 CDADHL O=c1[n-]c(C[N-]c2nc(-c3ccccc3)no2)n[nH]1 ZINC000676555050 483526985 /nfs/dbraw/zinc/52/69/85/483526985.db2.gz HFXJOYJZYBPQET-UHFFFAOYSA-N -2 3 258.241 1.172 20 0 CDADHL C[N-]S(=O)(=O)c1cc(C(=O)[N-]c2c(C)noc2C)co1 ZINC000339401367 522271779 /nfs/dbraw/zinc/27/17/79/522271779.db2.gz VSYRZFJMARLYQI-UHFFFAOYSA-N -2 3 299.308 1.045 20 0 CDADHL CC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000184838893 524004669 /nfs/dbraw/zinc/00/46/69/524004669.db2.gz HCNYQJUFLKJQKF-QMMMGPOBSA-N -2 3 289.328 1.909 20 0 CDADHL CC[C@@H]([N-]S(=O)(=O)c1csc(C(=O)[O-])c1)C(F)F ZINC000414331358 535807716 /nfs/dbraw/zinc/80/77/16/535807716.db2.gz TZCLQGQFUQRJKI-ZCFIWIBFSA-N -2 3 299.320 1.768 20 0 CDADHL CC(C)(CCC(=O)[O-])Nc1ccc(-c2nn[n-]n2)cn1 ZINC000095205200 1174509594 /nfs/dbraw/zinc/50/95/94/1174509594.db2.gz NZXIZSVJDVIYRJ-UHFFFAOYSA-N -2 3 276.300 1.317 20 0 CDADHL CC(C)(CCC(=O)[O-])Nc1ccc(-c2nnn[n-]2)cn1 ZINC000095205200 1174509590 /nfs/dbraw/zinc/50/95/90/1174509590.db2.gz NZXIZSVJDVIYRJ-UHFFFAOYSA-N -2 3 276.300 1.317 20 0 CDADHL Cc1nc2c(c(=O)[n-]1)CN(CCCCC(=O)[O-])C2 ZINC001600718997 1174579088 /nfs/dbraw/zinc/57/90/88/1174579088.db2.gz QPLXZXYRDZMMQX-UHFFFAOYSA-N -2 3 251.286 1.061 20 0 CDADHL O=C([N-]CCCOC(=O)c1cncc([O-])c1)C(F)(F)F ZINC000774946512 575254119 /nfs/dbraw/zinc/25/41/19/575254119.db2.gz FJHVTTIKDNSFDC-UHFFFAOYSA-N -2 3 292.213 1.013 20 0 CDADHL O=C([O-])c1ccc(COC(=O)c2cncc([O-])c2)o1 ZINC000740289621 576457907 /nfs/dbraw/zinc/45/79/07/576457907.db2.gz FTRHNAFQSPOHMG-UHFFFAOYSA-N -2 3 263.205 1.435 20 0 CDADHL O=C([O-])CN1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000833249734 601431642 /nfs/dbraw/zinc/43/16/42/601431642.db2.gz KLJQWRLXCZEMLJ-QWRGUYRKSA-N -2 3 255.314 1.426 20 0 CDADHL CCc1ccc([O-])c(C(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)c1 ZINC001605821705 1163680810 /nfs/dbraw/zinc/68/08/10/1163680810.db2.gz PXZWPBFTCDWQKJ-PHIMTYICSA-N -2 3 277.320 1.890 20 0 CDADHL Cc1n[n-]c(C)c1S(=O)(=O)Oc1ccc(C(=O)[O-])cc1 ZINC001607936738 1164344672 /nfs/dbraw/zinc/34/46/72/1164344672.db2.gz MCHJZIVLDCKVDT-UHFFFAOYSA-N -2 3 296.304 1.492 20 0 CDADHL O=C([O-])[C@H](CN=c1ncnc2[nH][n-]cc1-2)C1CCCCC1 ZINC001608539299 1164537717 /nfs/dbraw/zinc/53/77/17/1164537717.db2.gz AHVJQNRCIXZMBM-SNVBAGLBSA-N -2 3 289.339 1.419 20 0 CDADHL CC(=Cc1cncnc1)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001609060424 1164753996 /nfs/dbraw/zinc/75/39/96/1164753996.db2.gz LKFKMXXXCDQYIJ-XVNBXDOJSA-N -2 3 296.294 1.021 20 0 CDADHL CC(=Cc1cncnc1)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001609060424 1164754002 /nfs/dbraw/zinc/75/40/02/1164754002.db2.gz LKFKMXXXCDQYIJ-XVNBXDOJSA-N -2 3 296.294 1.021 20 0 CDADHL O=C([O-])c1cccc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)n1 ZINC001610845210 1165459758 /nfs/dbraw/zinc/45/97/58/1165459758.db2.gz MZNIVCYEYXQGEN-UHFFFAOYSA-N -2 3 298.258 1.614 20 0 CDADHL C[C@@H]1CC[C@H](C(=O)[O-])CN1c1ccc(-c2nn[n-]n2)cc1 ZINC001590226664 1173304118 /nfs/dbraw/zinc/30/41/18/1173304118.db2.gz RPPHLVWUMSKANZ-KOLCDFICSA-N -2 3 287.323 1.556 20 0 CDADHL CCCCc1[n-]n(-c2ccc(-c3nnn[n-]3)cn2)c(=O)c1C ZINC001590583224 1173469842 /nfs/dbraw/zinc/46/98/42/1173469842.db2.gz UFWNAQKQXKVFEX-SECBINFHSA-N -2 3 299.338 1.791 20 0 CDADHL CCCCc1[n-]n(-c2ccc(-c3nn[n-]n3)cn2)c(=O)c1C ZINC001590583224 1173469847 /nfs/dbraw/zinc/46/98/47/1173469847.db2.gz UFWNAQKQXKVFEX-SECBINFHSA-N -2 3 299.338 1.791 20 0 CDADHL O=C([O-])CCNc1c(F)cc(-c2nn[n-]n2)cc1F ZINC001593278675 1174049821 /nfs/dbraw/zinc/04/98/21/1174049821.db2.gz SQXFEGPPYPONOO-UHFFFAOYSA-N -2 3 269.211 1.032 20 0 CDADHL O=C([O-])CCNc1c(F)cc(-c2nnn[n-]2)cc1F ZINC001593278675 1174049815 /nfs/dbraw/zinc/04/98/15/1174049815.db2.gz SQXFEGPPYPONOO-UHFFFAOYSA-N -2 3 269.211 1.032 20 0 CDADHL O=Cc1ccc(-c2ccc(C(=O)[O-])c(-c3nn[n-]n3)c2)o1 ZINC001593416009 1174077157 /nfs/dbraw/zinc/07/71/57/1174077157.db2.gz QPLTYPBXCJZYSC-UHFFFAOYSA-N -2 3 284.231 1.637 20 0 CDADHL Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cn[n-]n2)cc1 ZINC001600372143 1174457725 /nfs/dbraw/zinc/45/77/25/1174457725.db2.gz PJLYTYJVHSSNEB-SNVBAGLBSA-N -2 3 274.280 1.059 20 0 CDADHL O=C([O-])c1cc([N-]C(=O)C(=O)c2ccc(Cl)cc2)on1 ZINC001601586965 1174908740 /nfs/dbraw/zinc/90/87/40/1174908740.db2.gz IICQDHWAVBYZMS-UHFFFAOYSA-N -2 3 294.650 1.848 20 0 CDADHL CC(C)(F)C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001603666956 1175593043 /nfs/dbraw/zinc/59/30/43/1175593043.db2.gz CUGIXKQCAASDJQ-UHFFFAOYSA-N -2 3 293.291 1.550 20 0 CDADHL CC[C@](C)(OC)C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001603990723 1175711133 /nfs/dbraw/zinc/71/11/33/1175711133.db2.gz QEOROYKLWUHSAP-ZDUSSCGKSA-N -2 3 291.311 1.092 20 0 CDADHL CC[C@](C)(OC)C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001603990723 1175711137 /nfs/dbraw/zinc/71/11/37/1175711137.db2.gz QEOROYKLWUHSAP-ZDUSSCGKSA-N -2 3 291.311 1.092 20 0 CDADHL O=C([O-])[C@H](CF)[N-]S(=O)(=O)c1coc2ccccc21 ZINC001608532534 1164535806 /nfs/dbraw/zinc/53/58/06/1164535806.db2.gz FCDJASIOZQBURA-QMMMGPOBSA-N -2 3 287.268 1.134 20 0 CDADHL CC(C)[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000780686626 828841421 /nfs/dbraw/zinc/84/14/21/828841421.db2.gz NLGBDGRZCFABFV-LLVKDONJSA-N -2 3 284.287 1.440 20 0 CDADHL COCC[C@@H](NC(=O)c1cc([O-])ccc1Cl)C(=O)[O-] ZINC000234657417 832905130 /nfs/dbraw/zinc/90/51/30/832905130.db2.gz DDFPAUCJAZHAJH-SNVBAGLBSA-N -2 3 287.699 1.265 20 0 CDADHL Nc1[nH]c(=O)[n-]c(=O)c1Nc1cccc(C=CC(=O)[O-])c1 ZINC001174495774 913162322 /nfs/dbraw/zinc/16/23/22/913162322.db2.gz WPUKOEAVCNQMSJ-SNAWJCMRSA-N -2 3 288.263 1.311 20 0 CDADHL Nc1[nH]c(=O)[n-]c(=O)c1Nc1cccc([S-])c1 ZINC001210945921 895504326 /nfs/dbraw/zinc/50/43/26/895504326.db2.gz ZAEPRZKWNZORTB-UHFFFAOYSA-N -2 3 250.283 1.502 20 0 CDADHL C[C@H](COc1ccccc1)OCCP(=O)([O-])[O-] ZINC001224605747 909924569 /nfs/dbraw/zinc/92/45/69/909924569.db2.gz JTEIBFWARFANHI-SNVBAGLBSA-N -2 3 260.226 1.648 20 0 CDADHL O=Nc1c(=O)[n-]c(=O)[nH]c1NC(=O)c1ccc([O-])c(F)c1 ZINC001186209644 919944855 /nfs/dbraw/zinc/94/48/55/919944855.db2.gz ZGJRXDSVLTXBHG-UHFFFAOYSA-N -2 3 294.198 1.383 20 0 CDADHL O=P([O-])([O-])CCCCNS(=O)(=O)CC1CCCC1 ZINC001191542445 922628550 /nfs/dbraw/zinc/62/85/50/922628550.db2.gz ALSQJPLYRAHDKF-UHFFFAOYSA-N -2 3 299.329 1.054 20 0 CDADHL CCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195187198 924489598 /nfs/dbraw/zinc/48/95/98/924489598.db2.gz PQXBSOPKKVIMJQ-UHFFFAOYSA-N -2 3 293.291 1.741 20 0 CDADHL CC(C)(C)NC(=S)NCCCCP(=O)([O-])[O-] ZINC001200914077 926159194 /nfs/dbraw/zinc/15/91/94/926159194.db2.gz DDXNETJLTZTOIU-UHFFFAOYSA-N -2 3 268.319 1.207 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1cccn2ccnc12 ZINC001151479102 937290410 /nfs/dbraw/zinc/29/04/10/937290410.db2.gz LTEIKJSQHKRIOY-UHFFFAOYSA-N -2 3 297.251 1.022 20 0 CDADHL Nc1cccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1 ZINC001206850980 940101739 /nfs/dbraw/zinc/10/17/39/940101739.db2.gz GICKMMSXBZLPKU-UHFFFAOYSA-N -2 3 282.296 1.914 20 0 CDADHL CC1(C)CC(=O)CC[C@@H]1OCCP(=O)([O-])[O-] ZINC001224604768 941774798 /nfs/dbraw/zinc/77/47/98/941774798.db2.gz FYXWXKJDJVOQGP-VIFPVBQESA-N -2 3 250.231 1.329 20 0 CDADHL Cc1cn2c(n1)[C@H](OCCP(=O)([O-])[O-])CCC2 ZINC001224600894 941774817 /nfs/dbraw/zinc/77/48/17/941774817.db2.gz BQEJVSVASJRIRE-SECBINFHSA-N -2 3 260.230 1.221 20 0 CDADHL CC1(C)OC[C@H](CCOCCCCP(=O)([O-])[O-])O1 ZINC001225019919 941815221 /nfs/dbraw/zinc/81/52/21/941815221.db2.gz CCYGZOUSNDQJAZ-JTQLQIEISA-N -2 3 282.273 1.503 20 0 CDADHL CCOC(=O)C[C@@H](C)OCCCCP(=O)([O-])[O-] ZINC001225023133 941816357 /nfs/dbraw/zinc/81/63/57/941816357.db2.gz VHLLGAZSDZHZEB-SECBINFHSA-N -2 3 268.246 1.303 20 0 CDADHL O=c1nc2cn[n-]c2c(O[C@H]2CCc3ccccc3C2)[n-]1 ZINC001233939498 943694965 /nfs/dbraw/zinc/69/49/65/943694965.db2.gz KHSYQAARAASBTO-NSHDSACASA-N -2 3 282.303 1.583 20 0 CDADHL COc1ccc([C@@H](C)Oc2[n-]c(=O)nc3cn[n-]c32)cn1 ZINC001233939618 943695056 /nfs/dbraw/zinc/69/50/56/943695056.db2.gz MBWVCGKMCHZUNQ-SSDOTTSWSA-N -2 3 287.279 1.190 20 0 CDADHL CC(C)C[C@@H](Nc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000095206678 944617574 /nfs/dbraw/zinc/61/75/74/944617574.db2.gz QHKDFAHHTVWXBV-LLVKDONJSA-N -2 3 275.312 1.778 20 0 CDADHL Cn1cc(S(=O)(=O)[N-]c2cccc([O-])c2Cl)cn1 ZINC001259826639 945654912 /nfs/dbraw/zinc/65/49/12/945654912.db2.gz FMUPMIIEPBBZHU-UHFFFAOYSA-N -2 3 287.728 1.580 20 0 CDADHL O=C([O-])c1cncc(-c2cc(-c3nnn[n-]3)ccc2F)c1 ZINC001241804475 946479354 /nfs/dbraw/zinc/47/93/54/946479354.db2.gz WIUQFCAIPNIPGF-UHFFFAOYSA-N -2 3 285.238 1.766 20 0 CDADHL O=C([O-])c1cncc(-c2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001241804475 946479361 /nfs/dbraw/zinc/47/93/61/946479361.db2.gz WIUQFCAIPNIPGF-UHFFFAOYSA-N -2 3 285.238 1.766 20 0 CDADHL CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]C2=CC=C[CH]2)s1 ZINC001250841692 950427826 /nfs/dbraw/zinc/42/78/26/950427826.db2.gz BYPVVJJVHAAFTK-UHFFFAOYSA-N -2 3 298.369 1.346 20 0 CDADHL O=C([O-])CC[C@H]1CCCCN1C(=O)c1c[n-]ncc1=O ZINC001595011984 951250194 /nfs/dbraw/zinc/25/01/94/951250194.db2.gz FABDFRPWKOZEKM-SECBINFHSA-N -2 3 279.296 1.042 20 0 CDADHL O=C([O-])[C@@H]1CN(C(=O)c2ccc(O)cc2[O-])C[C@H]1C1CC1 ZINC001574776969 957766956 /nfs/dbraw/zinc/76/69/56/957766956.db2.gz WPFJOHHIWVWXFM-NWDGAFQWSA-N -2 3 291.303 1.281 20 0 CDADHL O=C([O-])[C@H]1CCCCCN1C(=O)c1ccc(O)cc1[O-] ZINC000080987882 957769152 /nfs/dbraw/zinc/76/91/52/957769152.db2.gz OXRVHDYAKUMGOM-LLVKDONJSA-N -2 3 279.292 1.567 20 0 CDADHL Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC001594468692 959530631 /nfs/dbraw/zinc/53/06/31/959530631.db2.gz XLOVCXBLPKFKPQ-NSHDSACASA-N -2 3 295.339 1.039 20 0 CDADHL Cc1cccc([C@H](NC(=O)c2cc(=O)[n-]cn2)C(=O)[O-])c1 ZINC001574392145 961188182 /nfs/dbraw/zinc/18/81/82/961188182.db2.gz PYPXCXYFZJJYQW-LBPRGKRZSA-N -2 3 287.275 1.046 20 0 CDADHL O=C([O-])c1cncc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000126025397 967621478 /nfs/dbraw/zinc/62/14/78/967621478.db2.gz YHQZMIITSNIQNR-UHFFFAOYSA-N -2 3 274.232 1.443 20 0 CDADHL COc1cccc([O-])c1C(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC000404843220 973754490 /nfs/dbraw/zinc/75/44/90/973754490.db2.gz LVXKENPVWZFNCG-SNVBAGLBSA-N -2 3 293.319 1.632 20 0 CDADHL CC(C)[C@@H]([N-]C(=O)C(F)(F)c1nccs1)C(=O)[O-] ZINC001591833155 976105180 /nfs/dbraw/zinc/10/51/80/976105180.db2.gz OHPYSCDHHLKECR-ZCFIWIBFSA-N -2 3 278.280 1.460 20 0 CDADHL CC(C)c1ccc(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)c([O-])c1 ZINC001591941882 976463809 /nfs/dbraw/zinc/46/38/09/976463809.db2.gz ICVCNWINGMPBJM-HNNXBMFYSA-N -2 3 293.319 1.177 20 0 CDADHL CCOC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694172790 976674755 /nfs/dbraw/zinc/67/47/55/976674755.db2.gz LAYVLYJJORUDRO-UHFFFAOYSA-N -2 3 291.325 1.071 20 0 CDADHL C[C@@H](CC(=O)[O-])C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC001592365458 977865883 /nfs/dbraw/zinc/86/58/83/977865883.db2.gz UYMYEEVJPGCDCT-ZETCQYMHSA-N -2 3 280.280 1.214 20 0 CDADHL CCC[C@@](C)(NC(=O)c1ccc(N)cc1[O-])C(=O)[O-] ZINC001595553772 981431779 /nfs/dbraw/zinc/43/17/79/981431779.db2.gz NFSZLSYLDLZMQH-CYBMUJFWSA-N -2 3 266.297 1.348 20 0 CDADHL CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(N)cc1[O-] ZINC001594821759 981972729 /nfs/dbraw/zinc/97/27/29/981972729.db2.gz JFIWALYPCNTVFP-CYBMUJFWSA-N -2 3 266.297 1.348 20 0 CDADHL C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2occc2C(=O)[O-])C1 ZINC001604700128 1163288422 /nfs/dbraw/zinc/28/84/22/1163288422.db2.gz OLEWITJUXDVBEX-RKDXNWHRSA-N -2 3 287.337 1.692 20 0 CDADHL CCCN(CC(=O)[O-])C(=O)c1cccc(CC)c1[O-] ZINC001589666262 987650747 /nfs/dbraw/zinc/65/07/47/987650747.db2.gz VJFLOWHAGULOIH-UHFFFAOYSA-N -2 3 265.309 1.891 20 0 CDADHL CC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(C)o1 ZINC001604905870 1163375146 /nfs/dbraw/zinc/37/51/46/1163375146.db2.gz OSEPOHJMBCQQEV-LLVKDONJSA-N -2 3 275.326 1.510 20 0 CDADHL C[C@@]1([N-]S(=O)(=O)c2occc2C(=O)[O-])CC=CCC1 ZINC001594066130 997878633 /nfs/dbraw/zinc/87/86/33/997878633.db2.gz QHCDKYFZDHXDPE-GFCCVEGCSA-N -2 3 285.321 1.755 20 0 CDADHL C[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001594359399 999358057 /nfs/dbraw/zinc/35/80/57/999358057.db2.gz GJWGBPAEHKDJQF-IUCAKERBSA-N -2 3 287.337 1.692 20 0 CDADHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccccc1F ZINC000123921971 342065856 /nfs/dbraw/zinc/06/58/56/342065856.db2.gz AFXJXGRQUMYQBQ-SECBINFHSA-N -2 3 289.328 1.605 20 0 CDADHL CCCc1n[n-]c(=S)n1CC(=O)[N-]C1=NCCS1 ZINC000198644689 342630412 /nfs/dbraw/zinc/63/04/12/342630412.db2.gz ZWRJQJOEVDDORY-UHFFFAOYSA-N -2 3 285.398 1.112 20 0 CDADHL CCC[C@H](NC(=O)c1c(C)cccc1[O-])c1nnn[n-]1 ZINC000626024116 342289891 /nfs/dbraw/zinc/28/98/91/342289891.db2.gz BUIKGZQPZVZPSZ-VIFPVBQESA-N -2 3 275.312 1.485 20 0 CDADHL CCC[C@H](NC(=O)c1c(C)cccc1[O-])c1nn[n-]n1 ZINC000626024116 342289892 /nfs/dbraw/zinc/28/98/92/342289892.db2.gz BUIKGZQPZVZPSZ-VIFPVBQESA-N -2 3 275.312 1.485 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C2CCCCCC2)o1 ZINC000037390268 346358484 /nfs/dbraw/zinc/35/84/84/346358484.db2.gz KRENSSGWYHLLKZ-UHFFFAOYSA-N -2 3 287.337 1.979 20 0 CDADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)CC(C)C)cc1C(=O)[O-] ZINC000569966632 363254116 /nfs/dbraw/zinc/25/41/16/363254116.db2.gz ITTPEUILSHBVII-QMMMGPOBSA-N -2 3 289.353 1.999 20 0 CDADHL CO[C@H](C)CS(=O)(=O)[N-]c1ccc(C)cc1[O-] ZINC000193307025 358284218 /nfs/dbraw/zinc/28/42/18/358284218.db2.gz JMUGFKHACVICSS-SECBINFHSA-N -2 3 259.327 1.477 20 0 CDADHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccco1 ZINC000277350107 366418309 /nfs/dbraw/zinc/41/83/09/366418309.db2.gz XGMUEFVIOGWMIO-MRVPVSSYSA-N -2 3 275.326 1.447 20 0 CDADHL Cc1cc(C)cc(-c2cc(=NC(=O)[C@@H](C)C(=O)[O-])[nH][n-]2)c1 ZINC000566219382 358635867 /nfs/dbraw/zinc/63/58/67/358635867.db2.gz IETDFUQUHCNXER-SNVBAGLBSA-N -2 3 287.319 1.775 20 0 CDADHL O=C([O-])C1([N-]S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000097895570 358804449 /nfs/dbraw/zinc/80/44/49/358804449.db2.gz HRRMTXDKFYKLCZ-UHFFFAOYSA-N -2 3 293.703 1.375 20 0 CDADHL COCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000081707326 360058406 /nfs/dbraw/zinc/05/84/06/360058406.db2.gz WHZAWUSSFGWDSW-ZETCQYMHSA-N -2 3 293.366 1.150 20 0 CDADHL Cc1ccc(C(=O)N[C@H](C)[C@H](C)C(=O)[O-])c([O-])c1 ZINC000132834502 361281110 /nfs/dbraw/zinc/28/11/10/361281110.db2.gz PGJJMGNCFRHUMH-DTWKUNHWSA-N -2 3 251.282 1.540 20 0 CDADHL O=C([O-])C1(C(=O)Nc2ccc(Cl)cc2[O-])CC1 ZINC000519523575 361333865 /nfs/dbraw/zinc/33/38/65/361333865.db2.gz QAOUEJNGEQXQHA-UHFFFAOYSA-N -2 3 255.657 1.849 20 0 CDADHL Cc1n[n-]c(=NC(=O)c2cc(C(C)C)c([O-])cc2C)n1C ZINC000436646869 361549030 /nfs/dbraw/zinc/54/90/30/361549030.db2.gz PLJXLWBEJYUJSQ-UHFFFAOYSA-N -2 3 288.351 1.935 20 0 CDADHL Cc1ccc(C(=O)N[C@H](CC(C)C)C(=O)[O-])c([O-])c1 ZINC000019807157 364083383 /nfs/dbraw/zinc/08/33/83/364083383.db2.gz KKLGRJNBHRQIDS-LLVKDONJSA-N -2 3 265.309 1.930 20 0 CDADHL CC(C)(CC[N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000304316345 370716474 /nfs/dbraw/zinc/71/64/74/370716474.db2.gz DZFSZIFVRJWIIC-UHFFFAOYSA-N -2 3 277.367 1.527 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C2CCCCC2)o1 ZINC000034972398 364382345 /nfs/dbraw/zinc/38/23/45/364382345.db2.gz NEGLHFJVQZDYNA-UHFFFAOYSA-N -2 3 273.310 1.589 20 0 CDADHL COc1ccc(C(=O)N2CCC[C@H]2CC(=O)[O-])c([O-])c1 ZINC000042144511 364529757 /nfs/dbraw/zinc/52/97/57/364529757.db2.gz WULLHFDVDWLFCM-VIFPVBQESA-N -2 3 279.292 1.480 20 0 CDADHL C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000565653310 370500115 /nfs/dbraw/zinc/50/01/15/370500115.db2.gz DGSAVFFTEXQWPU-RQJHMYQMSA-N -2 3 290.366 1.308 20 0 CDADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cncc(F)c1 ZINC000391747299 370581382 /nfs/dbraw/zinc/58/13/82/370581382.db2.gz XUIUBMMMVVKAEP-VIFPVBQESA-N -2 3 290.316 1.142 20 0 CDADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)CCC1CC1 ZINC000294291010 371035687 /nfs/dbraw/zinc/03/56/87/371035687.db2.gz UFELTTCRHCUWQO-UHFFFAOYSA-N -2 3 299.348 1.721 20 0 CDADHL Cc1cccc(S(=O)(=O)[N-][C@H](C)CCC(=O)[O-])c1F ZINC000274973470 371197877 /nfs/dbraw/zinc/19/78/77/371197877.db2.gz IYJGPDVVJFOKTK-SECBINFHSA-N -2 3 289.328 1.666 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CC[C@H](C)[C@H](C(=O)[O-])C2)n1 ZINC000567856064 371173864 /nfs/dbraw/zinc/17/38/64/371173864.db2.gz BFGKKZTXPQWBNF-GXSJLCMTSA-N -2 3 279.340 1.287 20 0 CDADHL CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000084147128 373663205 /nfs/dbraw/zinc/66/32/05/373663205.db2.gz XLFMRSNVRAZLMW-UHFFFAOYSA-N -2 3 293.291 1.496 20 0 CDADHL CCC[C@@H]([N-]S(=O)(=O)c1sc(C)nc1C)C(=O)[O-] ZINC000262664494 131249214 /nfs/dbraw/zinc/24/92/14/131249214.db2.gz MUKWFMMCLVQFPU-MRVPVSSYSA-N -2 3 292.382 1.292 20 0 CDADHL CCC[C@H](C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000645941115 393411374 /nfs/dbraw/zinc/41/13/74/393411374.db2.gz KLYUOAGSXPXFFD-LURJTMIESA-N -2 3 278.355 1.308 20 0 CDADHL CCc1nc(=NCc2nnc(C(F)(F)F)[n-]2)s[n-]1 ZINC000359706923 158345420 /nfs/dbraw/zinc/34/54/20/158345420.db2.gz OLANLFPVXOOGJT-UHFFFAOYSA-N -2 3 278.263 1.271 20 0 CDADHL CCc1nc(=NCc2n[n-]c(C(F)(F)F)n2)s[n-]1 ZINC000359706923 158345424 /nfs/dbraw/zinc/34/54/24/158345424.db2.gz OLANLFPVXOOGJT-UHFFFAOYSA-N -2 3 278.263 1.271 20 0 CDADHL CCc1nc(=NCc2nc(C(F)(F)F)n[n-]2)s[n-]1 ZINC000359706923 158345427 /nfs/dbraw/zinc/34/54/27/158345427.db2.gz OLANLFPVXOOGJT-UHFFFAOYSA-N -2 3 278.263 1.271 20 0 CDADHL CC(C)C[C@H](NC(=O)c1cccc([O-])c1)C(=O)[O-] ZINC000021966531 171343792 /nfs/dbraw/zinc/34/37/92/171343792.db2.gz KWDVBKTZHFCTMS-NSHDSACASA-N -2 3 251.282 1.621 20 0 CDADHL Cc1ccc([O-])c(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)c1 ZINC000035390311 172173368 /nfs/dbraw/zinc/17/33/68/172173368.db2.gz NTLXXIYBUPTMEM-LLVKDONJSA-N -2 3 265.309 1.930 20 0 CDADHL CC(C)(C)[C@H](NC(=O)c1ccccc1[O-])C(=O)[O-] ZINC000035390533 172174022 /nfs/dbraw/zinc/17/40/22/172174022.db2.gz NBPMGQWOUWOXTN-SNVBAGLBSA-N -2 3 251.282 1.621 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]CCn2cccc2)oc1C(=O)[O-] ZINC000663423041 414244170 /nfs/dbraw/zinc/24/41/70/414244170.db2.gz KCBLKDKUOWVQFR-UHFFFAOYSA-N -2 3 298.320 1.066 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@]2(C)CC2(C)C)oc1C(=O)[O-] ZINC000663448439 414259485 /nfs/dbraw/zinc/25/94/85/414259485.db2.gz SKKHKIYHWDDTCO-GFCCVEGCSA-N -2 3 287.337 1.753 20 0 CDADHL C[C@H](CNC(=O)c1ccc2c(c1[O-])CCCC2)C(=O)[O-] ZINC000655558606 423975910 /nfs/dbraw/zinc/97/59/10/423975910.db2.gz IDPWSPGYUXDNJV-SECBINFHSA-N -2 3 277.320 1.722 20 0 CDADHL Cc1ccc(C(=O)NCc2ccc(C(=O)[O-])o2)c([O-])c1 ZINC000094554280 265247413 /nfs/dbraw/zinc/24/74/13/265247413.db2.gz MAQDPIUAYMFFEP-UHFFFAOYSA-N -2 3 275.260 1.922 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]C[C@@H](CC2CC2)C(=O)[O-])o1 ZINC000650430133 424613154 /nfs/dbraw/zinc/61/31/54/424613154.db2.gz GDJWGIMGBOLFAN-SNVBAGLBSA-N -2 3 287.337 1.367 20 0 CDADHL Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000131509319 279678803 /nfs/dbraw/zinc/67/88/03/279678803.db2.gz ODYUVYMFHINGQL-UHFFFAOYSA-N -2 3 285.300 1.672 20 0 CDADHL O=C(N=c1cc2ccccn2[n-]1)c1ccc([O-])cc1F ZINC000561145976 293054947 /nfs/dbraw/zinc/05/49/47/293054947.db2.gz BWAMPXWEQRHTBA-UHFFFAOYSA-N -2 3 271.251 1.853 20 0 CDADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]CCCF)c1 ZINC000563231772 293320144 /nfs/dbraw/zinc/32/01/44/293320144.db2.gz NQXYLCCDNWPXCR-UHFFFAOYSA-N -2 3 293.291 1.470 20 0 CDADHL CC[C@@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)C(=O)[O-] ZINC000577110989 317268023 /nfs/dbraw/zinc/26/80/23/317268023.db2.gz SCFMUCPWECRQSM-SNVBAGLBSA-N -2 3 265.265 1.188 20 0 CDADHL CCC[C@@H]([N-]S(=O)(=O)c1c[nH]c(C(C)C)n1)C(=O)[O-] ZINC000680882799 482604453 /nfs/dbraw/zinc/60/44/53/482604453.db2.gz YRYJFTKLSYJVQA-MRVPVSSYSA-N -2 3 289.357 1.065 20 0 CDADHL O=C([O-])CCCCNC(=O)NCc1ccc([O-])c(F)c1 ZINC000666529342 482758110 /nfs/dbraw/zinc/75/81/10/482758110.db2.gz HWSPIOUMVPLWTI-UHFFFAOYSA-N -2 3 284.287 1.585 20 0 CDADHL COc1ccc([C@@H](C)OCCP(=O)([O-])[O-])cc1OC ZINC001224602216 1160781157 /nfs/dbraw/zinc/78/11/57/1160781157.db2.gz OZVQEJBNCOAKBD-SECBINFHSA-N -2 3 290.252 1.959 20 0 CDADHL CCn1c(=O)[n-]nc1SCc1cc(C(=O)[O-])oc1C ZINC000061593646 523093817 /nfs/dbraw/zinc/09/38/17/523093817.db2.gz YSKRBPHBOIBITF-UHFFFAOYSA-N -2 3 283.309 1.483 20 0 CDADHL O=C([O-])c1ccccc1CC(=O)[N-]OCC(F)F ZINC001601368451 1174846652 /nfs/dbraw/zinc/84/66/52/1174846652.db2.gz LEQRFKJMANLFJD-UHFFFAOYSA-N -2 3 259.208 1.240 20 0 CDADHL COc1cccc(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)c1[O-] ZINC000738083179 576037647 /nfs/dbraw/zinc/03/76/47/576037647.db2.gz NFPGFKDLGWQFLI-SECBINFHSA-N -2 3 294.307 1.273 20 0 CDADHL O=C([O-])CCN(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000739725077 576285939 /nfs/dbraw/zinc/28/59/39/576285939.db2.gz RWHVKIVTSXRHRI-UHFFFAOYSA-N -2 3 287.262 1.716 20 0 CDADHL O=C([O-])[C@@H](OC(=O)c1cncc([O-])c1)c1ccc(F)cc1 ZINC000740291655 576458245 /nfs/dbraw/zinc/45/82/45/576458245.db2.gz NFYBOOPFPXCFPB-LBPRGKRZSA-N -2 3 291.234 1.909 20 0 CDADHL Nc1ccc(C(=O)NCCCCCC(=O)[O-])c([O-])c1 ZINC000763020546 576700825 /nfs/dbraw/zinc/70/08/25/576700825.db2.gz SXTKXCJDHCTXSE-UHFFFAOYSA-N -2 3 266.297 1.349 20 0 CDADHL O=C([O-])CCC(=O)COC(=O)c1cccc(Cl)c1[O-] ZINC001601970487 1175093544 /nfs/dbraw/zinc/09/35/44/1175093544.db2.gz WIGQEPIJSVESLE-UHFFFAOYSA-N -2 3 286.667 1.636 20 0 CDADHL O=C([O-])CN(Cc1c(F)ccc([O-])c1F)C1CC1 ZINC001602057569 1175122639 /nfs/dbraw/zinc/12/26/39/1175122639.db2.gz LFHXOUWAYSFNTI-UHFFFAOYSA-N -2 3 257.236 1.719 20 0 CDADHL CCc1cccc(C(=O)N(C)CCCC(=O)[O-])c1[O-] ZINC000830260266 601386704 /nfs/dbraw/zinc/38/67/04/601386704.db2.gz ZLRJRQUZGCSBRF-UHFFFAOYSA-N -2 3 265.309 1.891 20 0 CDADHL CC(C)CO[N-]C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000833487458 604794003 /nfs/dbraw/zinc/79/40/03/604794003.db2.gz FBJIDVQYWAFHPT-UHFFFAOYSA-N -2 3 251.282 1.631 20 0 CDADHL Cc1ccc(C(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)[O-])c([O-])c1 ZINC000910583367 618290319 /nfs/dbraw/zinc/29/03/19/618290319.db2.gz CKPSOOWDOJKICS-JQWIXIFHSA-N -2 3 293.319 1.453 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C1CCC=CCC1 ZINC000903037235 625787119 /nfs/dbraw/zinc/78/71/19/625787119.db2.gz GCPRKYDAPPUOEJ-UHFFFAOYSA-N -2 3 285.321 1.755 20 0 CDADHL COCCN(CCC(=O)[O-])C(=O)Cc1ccc([O-])c(F)c1 ZINC000908958172 628449153 /nfs/dbraw/zinc/44/91/53/628449153.db2.gz XQGMPVKWOOFGPX-UHFFFAOYSA-N -2 3 299.298 1.024 20 0 CDADHL CCc1cccc(C(=O)Nc2cc(C(=O)[O-])n(C)n2)c1[O-] ZINC001605825897 1163680487 /nfs/dbraw/zinc/68/04/87/1163680487.db2.gz MAROCHVDLJXNIH-UHFFFAOYSA-N -2 3 289.291 1.639 20 0 CDADHL O=C([O-])[C@@H](CC1CCCCC1)NC(=O)c1cc(=O)[n-]cn1 ZINC001608391984 1164505152 /nfs/dbraw/zinc/50/51/52/1164505152.db2.gz DPJGDZRFSQNAHF-LLVKDONJSA-N -2 3 293.323 1.336 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]CCC2CSC2)c1 ZINC001608990627 1164712160 /nfs/dbraw/zinc/71/21/60/1164712160.db2.gz IEAQWXHBVVDCIA-UHFFFAOYSA-N -2 3 291.350 1.009 20 0 CDADHL O=C([O-])c1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1 ZINC001610699626 1165410370 /nfs/dbraw/zinc/41/03/70/1165410370.db2.gz GCQQMUTYQPCUSK-NSHDSACASA-N -2 3 280.280 1.965 20 0 CDADHL Cc1ccc(-c2nnn[n-]2)c(NCCC(C)(C)C(=O)[O-])n1 ZINC001592087417 1173797243 /nfs/dbraw/zinc/79/72/43/1173797243.db2.gz BAMFAFMZSNYMMT-UHFFFAOYSA-N -2 3 290.327 1.483 20 0 CDADHL Cc1ccc(-c2nn[n-]n2)c(NCCC(C)(C)C(=O)[O-])n1 ZINC001592087417 1173797247 /nfs/dbraw/zinc/79/72/47/1173797247.db2.gz BAMFAFMZSNYMMT-UHFFFAOYSA-N -2 3 290.327 1.483 20 0 CDADHL Cc1cccc2[nH]cc(CC(=O)[N-]OCCCC(=O)[O-])c21 ZINC001600554629 1174504077 /nfs/dbraw/zinc/50/40/77/1174504077.db2.gz HOIIYHIXNWMKJZ-UHFFFAOYSA-N -2 3 290.319 1.931 20 0 CDADHL Nc1ccc(C(=O)N(CC(=O)[O-])C2CCCCC2)c([O-])c1 ZINC001601214567 1174793409 /nfs/dbraw/zinc/79/34/09/1174793409.db2.gz LDQRRVCLAFIMFD-UHFFFAOYSA-N -2 3 292.335 1.834 20 0 CDADHL O=C([O-])c1cnn(CC(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC001601379177 1174851146 /nfs/dbraw/zinc/85/11/46/1174851146.db2.gz AVOLBFUHUTZGFI-UHFFFAOYSA-N -2 3 295.682 1.579 20 0 CDADHL O=C([O-])[C@H](CC1CC1)NC(=O)c1cc2c(cc1[O-])OCO2 ZINC001601408699 1174859746 /nfs/dbraw/zinc/85/97/46/1174859746.db2.gz JTVLEYMDCAJZCT-VIFPVBQESA-N -2 3 293.275 1.104 20 0 CDADHL CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nc1)C(=O)[O-] ZINC001603262620 1175528939 /nfs/dbraw/zinc/52/89/39/1175528939.db2.gz GVXYVVRMFCUIHL-VIFPVBQESA-N -2 3 290.327 1.421 20 0 CDADHL CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nc1)C(=O)[O-] ZINC001603262620 1175528942 /nfs/dbraw/zinc/52/89/42/1175528942.db2.gz GVXYVVRMFCUIHL-VIFPVBQESA-N -2 3 290.327 1.421 20 0 CDADHL Cc1n[n-]cc1C(=O)O[C@@H](C(=O)[O-])c1ccccc1 ZINC001607500339 1164211411 /nfs/dbraw/zinc/21/14/11/1164211411.db2.gz PYIPAGOUWJQTKD-LLVKDONJSA-N -2 3 260.249 1.701 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)CCCC(=O)c1ccccc1 ZINC001608716110 1164618904 /nfs/dbraw/zinc/61/89/04/1164618904.db2.gz WXLCPWVRVYBAGI-UHFFFAOYSA-N -2 3 293.319 1.952 20 0 CDADHL CCCO[N-]C(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000844086250 836681640 /nfs/dbraw/zinc/68/16/40/836681640.db2.gz XVSLIYQFJAPQSO-UHFFFAOYSA-N -2 3 253.302 1.685 20 0 CDADHL O=C([O-])[C@H](CC(F)F)NC(=O)c1cc([O-])ccc1Cl ZINC000388558254 836706587 /nfs/dbraw/zinc/70/65/87/836706587.db2.gz ZYHGZVFUZKYAKB-QMMMGPOBSA-N -2 3 293.653 1.884 20 0 CDADHL O=C([O-])[C@@H]1CCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000236453606 836947879 /nfs/dbraw/zinc/94/78/79/836947879.db2.gz RBMSPVYIZUBPRN-SSDOTTSWSA-N -2 3 269.684 1.592 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CC(C1CC1)C1CC1 ZINC000871993997 840356596 /nfs/dbraw/zinc/35/65/96/840356596.db2.gz QVABZEZCBGRMGG-UHFFFAOYSA-N -2 3 299.348 1.692 20 0 CDADHL O=C(C[N-]S(=O)(=O)c1nccs1)c1ccc([O-])cc1 ZINC001187923619 920754814 /nfs/dbraw/zinc/75/48/14/920754814.db2.gz TYTAGHVOOKQQLR-UHFFFAOYSA-N -2 3 298.345 1.010 20 0 CDADHL C[C@@]1(C(=O)NCCCCP(=O)([O-])[O-])CC=CCC1 ZINC001142552688 937030198 /nfs/dbraw/zinc/03/01/98/937030198.db2.gz UODGUZGFVYUCPT-GFCCVEGCSA-N -2 3 275.285 1.807 20 0 CDADHL CCc1ccccc1NC(=S)NCCP(=O)([O-])[O-] ZINC001201152484 926207164 /nfs/dbraw/zinc/20/71/64/926207164.db2.gz FDOXEUYCWQBNAP-UHFFFAOYSA-N -2 3 288.309 1.713 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])NCc1ccccc1 ZINC001202640642 930431814 /nfs/dbraw/zinc/43/18/14/930431814.db2.gz UVYUQTRORRAXLN-UHFFFAOYSA-N -2 3 286.268 1.444 20 0 CDADHL CC1(C)OC[C@H](COCCCCP(=O)([O-])[O-])O1 ZINC001225021221 941815229 /nfs/dbraw/zinc/81/52/29/941815229.db2.gz FRGLLQHKEWNTGW-VIFPVBQESA-N -2 3 268.246 1.112 20 0 CDADHL CC1(C)CC[C@@H](COCCCCP(=O)([O-])[O-])O1 ZINC001225021457 941815267 /nfs/dbraw/zinc/81/52/67/941815267.db2.gz HJDDOIGTXIKZOK-JTQLQIEISA-N -2 3 266.274 1.919 20 0 CDADHL COC(=O)C1(C)CC(Oc2nc3ncnc-3c([S-])[n-]2)C1 ZINC001226786376 942072543 /nfs/dbraw/zinc/07/25/43/942072543.db2.gz QGVSBDLARTUBSB-UHFFFAOYSA-N -2 3 294.336 1.362 20 0 CDADHL O=c1nc2c(=O)[n-]c(=O)[nH]c2c(O[C@H]2CCCC[C@@H]2F)[n-]1 ZINC001226886835 942087666 /nfs/dbraw/zinc/08/76/66/942087666.db2.gz ULCLZAPRAIZMOE-WDSKDSINSA-N -2 3 296.258 1.196 20 0 CDADHL C[C@H](COc1ccccc1)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233935381 943693219 /nfs/dbraw/zinc/69/32/19/943693219.db2.gz RMTQMORFBBPKIK-SECBINFHSA-N -2 3 286.291 1.493 20 0 CDADHL O=c1nc2cn[n-]c2c(O[C@H]2CCC(F)(F)C2)[n-]1 ZINC001233946312 943697096 /nfs/dbraw/zinc/69/70/96/943697096.db2.gz YJLGQYORAOBSSF-YFKPBYRVSA-N -2 3 256.212 1.213 20 0 CDADHL CC[C@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C1CC1 ZINC000324384998 971114865 /nfs/dbraw/zinc/11/48/65/971114865.db2.gz ZTBNYLBNGAWTCF-ZETCQYMHSA-N -2 3 290.366 1.308 20 0 CDADHL O=C([O-])c1cncc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001241441807 946285816 /nfs/dbraw/zinc/28/58/16/946285816.db2.gz YRLZIPNNORMNIE-UHFFFAOYSA-N -2 3 268.236 1.022 20 0 CDADHL O=C([O-])c1cncc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001241441807 946285823 /nfs/dbraw/zinc/28/58/23/946285823.db2.gz YRLZIPNNORMNIE-UHFFFAOYSA-N -2 3 268.236 1.022 20 0 CDADHL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc3c(n2)CNCC3)c1 ZINC001242160451 946611506 /nfs/dbraw/zinc/61/15/06/946611506.db2.gz KZGJIAQFZMYPOA-UHFFFAOYSA-N -2 3 298.298 1.791 20 0 CDADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C/C=C/C1CC1 ZINC000379173941 971608990 /nfs/dbraw/zinc/60/89/90/971608990.db2.gz MFRRKDXCEORWJU-OWOJBTEDSA-N -2 3 288.350 1.086 20 0 CDADHL CCOC(=O)c1cc(NC(=O)C(CC)(CC)C(=O)[O-])[n-]n1 ZINC001591091828 951058507 /nfs/dbraw/zinc/05/85/07/951058507.db2.gz GWJWSKZTWMZFMF-UHFFFAOYSA-N -2 3 297.311 1.416 20 0 CDADHL CCOC(=O)c1cc(NC(=O)C(CC)(CC)C(=O)[O-])n[n-]1 ZINC001591091828 951058512 /nfs/dbraw/zinc/05/85/12/951058512.db2.gz GWJWSKZTWMZFMF-UHFFFAOYSA-N -2 3 297.311 1.416 20 0 CDADHL CCCS(=O)(=O)[N-]c1c([O-])cc(F)cc1F ZINC001253692364 952040397 /nfs/dbraw/zinc/04/03/97/952040397.db2.gz JOPYGKBZJDKJDF-UHFFFAOYSA-N -2 3 251.254 1.822 20 0 CDADHL Cc1cccc([O-])c1C(=O)N(C)CCCC(=O)[O-] ZINC000706577134 954954047 /nfs/dbraw/zinc/95/40/47/954954047.db2.gz CKTKKVZFARKUAN-UHFFFAOYSA-N -2 3 251.282 1.637 20 0 CDADHL Cc1[n-][nH]c(=O)c1NC(=O)c1ccc([O-])c(F)c1 ZINC001298673939 955225987 /nfs/dbraw/zinc/22/59/87/955225987.db2.gz RWURUVYWKQWUCE-UHFFFAOYSA-N -2 3 251.217 1.521 20 0 CDADHL C[C@@H]1CCN(C(=O)c2ccc(O)cc2[O-])[C@@H](C(=O)[O-])C1 ZINC000125483126 958565473 /nfs/dbraw/zinc/56/54/73/958565473.db2.gz JNOPNKSWFBVALT-LDYMZIIASA-N -2 3 279.292 1.423 20 0 CDADHL O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1ccc(O)cc1[O-] ZINC000299940712 962946336 /nfs/dbraw/zinc/94/63/36/962946336.db2.gz HTWUGMPCYYQSOL-PLMOITTCSA-N -2 3 291.303 1.423 20 0 CDADHL O=C([N-]n1c(=O)[n-][nH]c1=O)c1cc2c(cccc2F)s1 ZINC001556824951 965107689 /nfs/dbraw/zinc/10/76/89/965107689.db2.gz BALNZWVPKWOQPO-UHFFFAOYSA-N -2 3 294.267 1.427 20 0 CDADHL COc1ccc(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)c([O-])c1 ZINC001550929769 966287461 /nfs/dbraw/zinc/28/74/61/966287461.db2.gz PFGRWQLEJJTTFO-SUZMYJTESA-N -2 3 291.303 1.194 20 0 CDADHL Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CCCCC(=O)[O-])n1 ZINC001600064312 970753025 /nfs/dbraw/zinc/75/30/25/970753025.db2.gz LKCCMUWZEAZMEL-UHFFFAOYSA-N -2 3 295.339 1.487 20 0 CDADHL C[C@@H]1CSC[C@@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000397965908 973044780 /nfs/dbraw/zinc/04/47/80/973044780.db2.gz GAWVAWJJXDHQFR-RQJHMYQMSA-N -2 3 291.350 1.008 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]C2(C3CCC3)CCC2)c1 ZINC000717864902 977923178 /nfs/dbraw/zinc/92/31/78/977923178.db2.gz SVHOTIOGCSRSHV-UHFFFAOYSA-N -2 3 299.348 1.979 20 0 CDADHL C[C@@H]1CN(C(=O)c2ccc(O)cc2[O-])C[C@H]1CC(=O)[O-] ZINC000722427833 978140787 /nfs/dbraw/zinc/14/07/87/978140787.db2.gz XGHKLACWXJGBEG-RKDXNWHRSA-N -2 3 279.292 1.281 20 0 CDADHL CCOC(=O)c1cc(-c2cc(C(=O)[O-])co2)[n-]n1 ZINC001596700246 984870122 /nfs/dbraw/zinc/87/01/22/984870122.db2.gz JILZDKODHVXXAK-UHFFFAOYSA-N -2 3 250.210 1.545 20 0 CDADHL CCOC(=O)c1cc(-c2cc(C(=O)[O-])co2)n[n-]1 ZINC001596700246 984870141 /nfs/dbraw/zinc/87/01/41/984870141.db2.gz JILZDKODHVXXAK-UHFFFAOYSA-N -2 3 250.210 1.545 20 0 CDADHL C[C@H]1CN(Cc2ccc(C(=O)[O-])[nH]2)CC[C@@H]1C(=O)[O-] ZINC001594538383 986168233 /nfs/dbraw/zinc/16/82/33/986168233.db2.gz NOOFCZRTHXSOIN-WPRPVWTQSA-N -2 3 266.297 1.256 20 0 CDADHL CC[C@@H](C(=O)[O-])C(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001604873349 1163362331 /nfs/dbraw/zinc/36/23/31/1163362331.db2.gz JDGOXKFBNPDKHH-MRVPVSSYSA-N -2 3 291.307 1.013 20 0 CDADHL C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC001594158716 998588515 /nfs/dbraw/zinc/58/85/15/998588515.db2.gz LMEJQSIFNMBECW-HTQZYQBOSA-N -2 3 293.275 1.056 20 0 CDADHL Cc1nc(N[C@H](CC(C)C)C(=O)[O-])ccc1-c1nn[n-]n1 ZINC001606077916 1163766776 /nfs/dbraw/zinc/76/67/76/1163766776.db2.gz BZLDQVQIFGMQQI-SNVBAGLBSA-N -2 3 290.327 1.481 20 0 CDADHL COc1ccc([O-])c(C(=O)Nc2nc(C(=O)[O-])c[nH]2)c1 ZINC001574033914 1170866961 /nfs/dbraw/zinc/86/69/61/1170866961.db2.gz LCNNKXHFDJTKCF-UHFFFAOYSA-N -2 3 277.236 1.074 20 0 CDADHL CC(C)(C[N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000137483581 361926606 /nfs/dbraw/zinc/92/66/06/361926606.db2.gz FAGWONBDGLMSRN-UHFFFAOYSA-N -2 3 275.301 1.215 20 0 CDADHL COc1ccc([O-])c(C(=O)NC[C@H](CC2CC2)C(=O)[O-])c1 ZINC000405375810 349786842 /nfs/dbraw/zinc/78/68/42/349786842.db2.gz HKKKHKWAUHTSIG-JTQLQIEISA-N -2 3 293.319 1.632 20 0 CDADHL O=C([O-])C1(C[N-]S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000138949943 362010694 /nfs/dbraw/zinc/01/06/94/362010694.db2.gz XYFBJRZHIKXPHS-UHFFFAOYSA-N -2 3 291.275 1.108 20 0 CDADHL Cc1oc(C)c(S(=O)(=O)[N-]CC(F)F)c1C(=O)[O-] ZINC000136564775 342381292 /nfs/dbraw/zinc/38/12/92/342381292.db2.gz YDYUKHUBQPGQPX-UHFFFAOYSA-N -2 3 283.252 1.138 20 0 CDADHL CC1([N-]S(=O)(=O)c2csnc2C(=O)[O-])CCCC1 ZINC000563076243 293265268 /nfs/dbraw/zinc/26/52/68/293265268.db2.gz OPGYTJCDOMJPJX-UHFFFAOYSA-N -2 3 290.366 1.452 20 0 CDADHL O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccccc1[O-] ZINC000073956727 349189374 /nfs/dbraw/zinc/18/93/74/349189374.db2.gz YQNXHFZXPNSPTK-UHFFFAOYSA-N -2 3 272.186 1.781 20 0 CDADHL O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccccc1[O-] ZINC000073956727 349189376 /nfs/dbraw/zinc/18/93/76/349189376.db2.gz YQNXHFZXPNSPTK-UHFFFAOYSA-N -2 3 272.186 1.781 20 0 CDADHL O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccccc1[O-] ZINC000073956727 349189378 /nfs/dbraw/zinc/18/93/78/349189378.db2.gz YQNXHFZXPNSPTK-UHFFFAOYSA-N -2 3 272.186 1.781 20 0 CDADHL Cc1ccc(C(=O)N2CCSC[C@H](C(=O)[O-])C2)c([O-])c1 ZINC000621604410 350669692 /nfs/dbraw/zinc/66/96/92/350669692.db2.gz GNFSXGMDEGFGIN-SNVBAGLBSA-N -2 3 295.360 1.590 20 0 CDADHL C[C@H]1CCc2[n-]n(-c3cn[n-]c(=O)c3Cl)c(=O)c21 ZINC000634587458 356468464 /nfs/dbraw/zinc/46/84/64/356468464.db2.gz OSDBETASBQWQTE-YLWLKBPMSA-N -2 3 266.688 1.584 20 0 CDADHL O=c1cc(C(F)(F)F)[n-]n1-c1cn[n-]c(=O)c1Cl ZINC000634587639 356468628 /nfs/dbraw/zinc/46/86/28/356468628.db2.gz ULFQETDEGBWCKS-UHFFFAOYSA-N -2 3 280.593 1.491 20 0 CDADHL CCC[C@@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)C(=O)[O-] ZINC000036838341 356887008 /nfs/dbraw/zinc/88/70/08/356887008.db2.gz BDRBCTAQJAMHGE-SNVBAGLBSA-N -2 3 293.291 1.496 20 0 CDADHL Cc1ccc(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c([O-])c1 ZINC000097058249 358748881 /nfs/dbraw/zinc/74/88/81/358748881.db2.gz ROMYWHFWJFXDCN-VHSXEESVSA-N -2 3 263.293 1.684 20 0 CDADHL Cc1csc(S(=O)(=O)[N-][C@H](CC(F)F)C(=O)[O-])c1 ZINC000514916843 360401291 /nfs/dbraw/zinc/40/12/91/360401291.db2.gz AKTZUTQXRUTXNQ-ZCFIWIBFSA-N -2 3 299.320 1.443 20 0 CDADHL CC(=O)c1cc(C(=O)N=c2ccc([O-])n[n-]2)ccc1C ZINC000448394731 363920432 /nfs/dbraw/zinc/92/04/32/363920432.db2.gz DTXWTDJRBFIPAH-UHFFFAOYSA-N -2 3 271.276 1.367 20 0 CDADHL CC[C@@H](C)CO[N-]C(=O)c1c(C)[n-]c(=O)nc1SC ZINC000293800468 370803322 /nfs/dbraw/zinc/80/33/22/370803322.db2.gz SVAJZXUZGMALKM-SSDOTTSWSA-N -2 3 285.369 1.920 20 0 CDADHL CCC[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1nnn[n-]1 ZINC000450118710 251140486 /nfs/dbraw/zinc/14/04/86/251140486.db2.gz ATQJDTWTCWLQRE-SNVBAGLBSA-N -2 3 293.302 1.245 20 0 CDADHL CCC[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1nn[n-]n1 ZINC000450118710 251140489 /nfs/dbraw/zinc/14/04/89/251140489.db2.gz ATQJDTWTCWLQRE-SNVBAGLBSA-N -2 3 293.302 1.245 20 0 CDADHL CC[C@@H](CS(=O)(=O)[N-]c1cc(F)ccc1[O-])OC ZINC000421157199 391825211 /nfs/dbraw/zinc/82/52/11/391825211.db2.gz QDIAAAXTHPRANH-VIFPVBQESA-N -2 3 277.317 1.698 20 0 CDADHL CSc1nc([N-]C(=O)c2ncc(F)cc2F)n[n-]1 ZINC000429648757 391874189 /nfs/dbraw/zinc/87/41/89/391874189.db2.gz KRGHHCWTOZOOKH-UHFFFAOYSA-N -2 3 271.252 1.452 20 0 CDADHL O=C([O-])C1(C[N-]S(=O)(=O)c2ccco2)CCCC1 ZINC000517350220 392875668 /nfs/dbraw/zinc/87/56/68/392875668.db2.gz KUMSOEWEUJXWTH-UHFFFAOYSA-N -2 3 273.310 1.203 20 0 CDADHL COc1ccc([O-])c(C(=O)N[C@H](CC2CC2)C(=O)[O-])c1 ZINC000261728096 140381804 /nfs/dbraw/zinc/38/18/04/140381804.db2.gz KVPGPIMBQIIMJX-LLVKDONJSA-N -2 3 279.292 1.384 20 0 CDADHL CC1([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CCCCC1 ZINC000045045892 175296055 /nfs/dbraw/zinc/29/60/55/175296055.db2.gz COWFDOZXYRXGNR-UHFFFAOYSA-N -2 3 287.337 1.979 20 0 CDADHL O=C(NCc1ccc([O-])c(F)c1)c1cncc([O-])c1 ZINC000132729111 279715942 /nfs/dbraw/zinc/71/59/42/279715942.db2.gz RMBFGSSNIYUTDG-UHFFFAOYSA-N -2 3 262.240 1.562 20 0 CDADHL COc1ccc([O-])c(C(=O)N2CC[C@@H](C)C[C@H]2C(=O)[O-])c1 ZINC000125410910 295165550 /nfs/dbraw/zinc/16/55/50/295165550.db2.gz MQEZCTWXSAGVCO-SKDRFNHKSA-N -2 3 293.319 1.726 20 0 CDADHL CN(CC(=O)[O-])c1cccc(C(F)F)c1-c1nnn[n-]1 ZINC001591039001 1173565728 /nfs/dbraw/zinc/56/57/28/1173565728.db2.gz KBPOAYRDXRORCT-UHFFFAOYSA-N -2 3 283.238 1.325 20 0 CDADHL CN(CC(=O)[O-])c1cccc(C(F)F)c1-c1nn[n-]n1 ZINC001591039001 1173565730 /nfs/dbraw/zinc/56/57/30/1173565730.db2.gz KBPOAYRDXRORCT-UHFFFAOYSA-N -2 3 283.238 1.325 20 0 CDADHL Cc1csc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CC2)c1 ZINC000579442201 324185308 /nfs/dbraw/zinc/18/53/08/324185308.db2.gz QWODGEQAGAKWCQ-SECBINFHSA-N -2 3 275.351 1.198 20 0 CDADHL COc1ccc([O-])c(C(=O)N2C[C@H](C)[C@@H](C(=O)[O-])C2)c1 ZINC000111251695 524726414 /nfs/dbraw/zinc/72/64/14/524726414.db2.gz LVZBTXAMVBBUDT-KWQFWETISA-N -2 3 279.292 1.194 20 0 CDADHL Cc1nscc1C(=O)[N-]c1nnc(CCC(=O)[O-])s1 ZINC001600821226 1174629135 /nfs/dbraw/zinc/62/91/35/1174629135.db2.gz XZJDSJJJLPZELZ-UHFFFAOYSA-N -2 3 298.349 1.573 20 0 CDADHL Cc1nsc([N-]C(=O)c2ccc(/C=C\C(=O)[O-])o2)n1 ZINC001600820344 1174629447 /nfs/dbraw/zinc/62/94/47/1174629447.db2.gz ZVVWRKQVIAKWJP-HYXAFXHYSA-N -2 3 279.277 1.790 20 0 CDADHL O=C([O-])[C@@H](CNC(=O)c1cc(=O)[n-]cn1)C1CCCCC1 ZINC001601450897 1174874847 /nfs/dbraw/zinc/87/48/47/1174874847.db2.gz XNJCFANLXRFLQF-JTQLQIEISA-N -2 3 293.323 1.193 20 0 CDADHL O=C([O-])C1(CNC(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC001601539765 1174895824 /nfs/dbraw/zinc/89/58/24/1174895824.db2.gz DDIUBTHQROTFQZ-UHFFFAOYSA-N -2 3 282.271 1.195 20 0 CDADHL COc1ccc(C(=O)NCCc2n[n-]c(=S)o2)c([O-])c1 ZINC000773099926 575782676 /nfs/dbraw/zinc/78/26/76/575782676.db2.gz DXBMHEADEGRZSF-UHFFFAOYSA-N -2 3 295.320 1.045 20 0 CDADHL CN(CCCC(=O)Nc1nc(C(F)(F)F)n[n-]1)C(=O)[O-] ZINC000737433462 575964104 /nfs/dbraw/zinc/96/41/04/575964104.db2.gz QDHKRJZIGPAVBR-UHFFFAOYSA-N -2 3 295.221 1.152 20 0 CDADHL CN(CCCC(=O)Nc1nnc(C(F)(F)F)[n-]1)C(=O)[O-] ZINC000737433462 575964105 /nfs/dbraw/zinc/96/41/05/575964105.db2.gz QDHKRJZIGPAVBR-UHFFFAOYSA-N -2 3 295.221 1.152 20 0 CDADHL O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)c1ccccc1[O-] ZINC000739722013 576285292 /nfs/dbraw/zinc/28/52/92/576285292.db2.gz MRRJBVHAIAQZDN-NSHDSACASA-N -2 3 293.319 1.488 20 0 CDADHL CC(C)N(CC(=O)[O-])C(=O)c1ccc(O)cc1[O-] ZINC000037993334 597670132 /nfs/dbraw/zinc/67/01/32/597670132.db2.gz XUUKEPMWFFRRPW-UHFFFAOYSA-N -2 3 253.254 1.033 20 0 CDADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@H]1CC12CCC2 ZINC001602587595 1175310394 /nfs/dbraw/zinc/31/03/94/1175310394.db2.gz YYVHOQOGPIDWLA-ZETCQYMHSA-N -2 3 288.350 1.062 20 0 CDADHL CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(O)cc1[O-] ZINC000827012181 604392895 /nfs/dbraw/zinc/39/28/95/604392895.db2.gz VPYXHWAMXLLKKF-NSHDSACASA-N -2 3 297.307 1.048 20 0 CDADHL CC1=C(C(=O)[O-])[C@@H](c2ccc([O-])c(F)c2)NC(=S)N1 ZINC000833575561 604556220 /nfs/dbraw/zinc/55/62/20/604556220.db2.gz ASPUZPFIXFTANH-SNVBAGLBSA-N -2 3 282.296 1.409 20 0 CDADHL C[C@H]1CC[C@H]([N-]S(=O)(=O)c2occc2C(=O)[O-])C1 ZINC000903025370 625802072 /nfs/dbraw/zinc/80/20/72/625802072.db2.gz CKVSZVMMOBZRQD-YUMQZZPRSA-N -2 3 273.310 1.445 20 0 CDADHL CC(=O)c1ccc(C(=O)N(CC(=O)[O-])C2CC2)cc1[O-] ZINC000908892180 628402864 /nfs/dbraw/zinc/40/28/64/628402864.db2.gz CYAKTXGYVKAOCJ-UHFFFAOYSA-N -2 3 277.276 1.284 20 0 CDADHL O=C([O-])c1ccccc1CCC(=O)[N-]OCC1CC1 ZINC000911811743 629544044 /nfs/dbraw/zinc/54/40/44/629544044.db2.gz XJRNKNJXKJSYCW-UHFFFAOYSA-N -2 3 263.293 1.775 20 0 CDADHL CC[C@@]1(C(=O)[O-])CCCN(Cc2cnc(C(=O)[O-])cn2)C1 ZINC001605135070 1163462493 /nfs/dbraw/zinc/46/24/93/1163462493.db2.gz HDEQIGUSSHKFAW-CQSZACIVSA-N -2 3 293.323 1.252 20 0 CDADHL Cc1cc(CNCc2ncccc2[O-])oc1C(=O)[O-] ZINC001607650069 1164259348 /nfs/dbraw/zinc/25/93/48/1164259348.db2.gz SKULIKIOQBIUKU-UHFFFAOYSA-N -2 3 262.265 1.677 20 0 CDADHL O=C([O-])c1ncoc1CNC(=O)Cc1ccc([O-])c(F)c1 ZINC001608363635 1164498301 /nfs/dbraw/zinc/49/83/01/1164498301.db2.gz TZLBRGAZNFDXAM-UHFFFAOYSA-N -2 3 294.238 1.076 20 0 CDADHL O=C([O-])C1CCC(Nc2cnccc2-c2nnn[n-]2)CC1 ZINC001593275797 1174045210 /nfs/dbraw/zinc/04/52/10/1174045210.db2.gz XQUYKUPGQVKISX-UHFFFAOYSA-N -2 3 288.311 1.317 20 0 CDADHL O=C([O-])C1CCC(Nc2cnccc2-c2nn[n-]n2)CC1 ZINC001593275797 1174045216 /nfs/dbraw/zinc/04/52/16/1174045216.db2.gz XQUYKUPGQVKISX-UHFFFAOYSA-N -2 3 288.311 1.317 20 0 CDADHL Cc1cc(C)c(-c2nn[n-]n2)c(N[C@@H](C)CC(=O)[O-])n1 ZINC000095331456 1174525520 /nfs/dbraw/zinc/52/55/20/1174525520.db2.gz IMAVNTKMKDQQJX-QMMMGPOBSA-N -2 3 276.300 1.154 20 0 CDADHL O=S(=O)([N-]c1ccc(F)cc1[O-])C1CCOCC1 ZINC000104253778 1174692569 /nfs/dbraw/zinc/69/25/69/1174692569.db2.gz RBCNLHYPURRILD-UHFFFAOYSA-N -2 3 275.301 1.452 20 0 CDADHL O=C([O-])[C@H](CC1CCOCC1)NC(=O)c1ccccc1[O-] ZINC001601412590 1174861875 /nfs/dbraw/zinc/86/18/75/1174861875.db2.gz OEEYWFZZMRDLDO-LBPRGKRZSA-N -2 3 293.319 1.392 20 0 CDADHL O=C([O-])Cc1cccc(NC(=O)c2cccc3n[n-]nc32)c1 ZINC001602140695 1175140429 /nfs/dbraw/zinc/14/04/29/1175140429.db2.gz ZHYXKAWVTVRTQF-UHFFFAOYSA-N -2 3 296.286 1.837 20 0 CDADHL CC(=O)c1cccc(NC(=O)c2cc(C(=O)[O-])no2)c1[O-] ZINC001603119302 1175495493 /nfs/dbraw/zinc/49/54/93/1175495493.db2.gz QXQURTVGFASAMS-UHFFFAOYSA-N -2 3 290.231 1.533 20 0 CDADHL C[C@H](CC(=O)[O-])CC(=O)[N-]Oc1ccccc1F ZINC001604106743 1175763991 /nfs/dbraw/zinc/76/39/91/1175763991.db2.gz PPKVBEXLQBYSNJ-QMMMGPOBSA-N -2 3 255.245 1.737 20 0 CDADHL COc1cc(C(=O)[N-]c2ccc(F)c(C(=O)[O-])c2F)on1 ZINC001607087097 1164073579 /nfs/dbraw/zinc/07/35/79/1164073579.db2.gz GVEKXXJJVRKPOC-UHFFFAOYSA-N -2 3 298.201 1.912 20 0 CDADHL Cc1noc(C)c1CCC(=O)[N-]OCCCC(=O)[O-] ZINC001608023043 1164380950 /nfs/dbraw/zinc/38/09/50/1164380950.db2.gz ALNOTKAZCURSEL-UHFFFAOYSA-N -2 3 270.285 1.137 20 0 CDADHL O=C([O-])C12CCC(C(=O)Nc3ncccc3[O-])(CC1)C2 ZINC001608582390 1164555866 /nfs/dbraw/zinc/55/58/66/1164555866.db2.gz DSEXOPLYARYRSK-UHFFFAOYSA-N -2 3 276.292 1.761 20 0 CDADHL C/C(=C/COC(=O)c1cccc2n[n-]nc21)C(=O)[O-] ZINC001609543276 1164984124 /nfs/dbraw/zinc/98/41/24/1164984124.db2.gz ULXXSAAZVLCAMR-ALCCZGGFSA-N -2 3 261.237 1.146 20 0 CDADHL Cc1c(NC(=O)c2ccc(C)cc2[O-])cnn1CC(=O)[O-] ZINC001610485287 1165328384 /nfs/dbraw/zinc/32/83/84/1165328384.db2.gz SBLIBCLCFXATLS-UHFFFAOYSA-N -2 3 289.291 1.542 20 0 CDADHL Cc1c2cccc(C)c2oc1C(=O)[N-]n1c(=O)[n-][nH]c1=O ZINC000816731785 843426035 /nfs/dbraw/zinc/42/60/35/843426035.db2.gz FHWVCYWKUZOYKG-UHFFFAOYSA-N -2 3 288.263 1.436 20 0 CDADHL CC(C)(C)[C@H](NC(=O)NCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000780687101 845758325 /nfs/dbraw/zinc/75/83/25/845758325.db2.gz UZRYZHCXLQIBEA-LLVKDONJSA-N -2 3 298.314 1.830 20 0 CDADHL O=C([O-])C(F)(F)C(F)(F)C(=O)[N-][C@H]1C[C@@H]1C1CC1 ZINC001180179653 916177455 /nfs/dbraw/zinc/17/74/55/916177455.db2.gz ICJIGPNYKLNOTG-RITPCOANSA-N -2 3 269.194 1.256 20 0 CDADHL COC(=O)c1cc(C(=O)Nc2ccc(F)c([O-])c2)n[n-]1 ZINC001194288681 924163257 /nfs/dbraw/zinc/16/32/57/924163257.db2.gz KANSXAARZGOEKS-UHFFFAOYSA-N -2 3 279.227 1.293 20 0 CDADHL O=C(Nc1ncccc1[O-])c1cc([O-])cnc1Cl ZINC001195298050 924534283 /nfs/dbraw/zinc/53/42/83/924534283.db2.gz NMKSCJCLXMXLBI-UHFFFAOYSA-N -2 3 265.656 1.794 20 0 CDADHL CCOc1ccccc1NC(=O)NCCP(=O)([O-])[O-] ZINC001202148674 926481419 /nfs/dbraw/zinc/48/14/19/926481419.db2.gz CFOVFKOESXURDS-UHFFFAOYSA-N -2 3 288.240 1.385 20 0 CDADHL CC[C@H](C)S(=O)(=O)[N-]c1c([O-])cccc1C(=O)OC ZINC001260738513 936152849 /nfs/dbraw/zinc/15/28/49/936152849.db2.gz ADSCFFHIGZXPDF-QMMMGPOBSA-N -2 3 287.337 1.719 20 0 CDADHL C[C@@H]1c2cnccc2C[C@@H]1OCCP(=O)([O-])[O-] ZINC001224601292 941774764 /nfs/dbraw/zinc/77/47/64/941774764.db2.gz FVRSSKMCWALDLM-KCJUWKMLSA-N -2 3 257.226 1.304 20 0 CDADHL Cc1ccc2c(c1)CC[C@@H]2Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227565964 942189877 /nfs/dbraw/zinc/18/98/77/942189877.db2.gz DMSQRPJULWNCBZ-JTQLQIEISA-N -2 3 259.265 1.658 20 0 CDADHL C[C@@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1cnc2ccccn21 ZINC001233933503 943693176 /nfs/dbraw/zinc/69/31/76/943693176.db2.gz CMAXCJULCGYNED-MRVPVSSYSA-N -2 3 296.290 1.434 20 0 CDADHL COc1ccc([O-])c(C(=O)Nc2cc(C(=O)[O-])ccn2)c1 ZINC000079702803 949007189 /nfs/dbraw/zinc/00/71/89/949007189.db2.gz GBPXYKBOGVWZOV-UHFFFAOYSA-N -2 3 288.259 1.746 20 0 CDADHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1cccc(F)c1F ZINC001362721360 971559711 /nfs/dbraw/zinc/55/97/11/971559711.db2.gz UYVFMAGWTUMZGM-UHFFFAOYSA-N -2 3 281.218 1.096 20 0 CDADHL O=C([O-])c1ccc(NC(=O)c2cccc3n[n-]nc32)nc1 ZINC001595235799 949396274 /nfs/dbraw/zinc/39/62/74/949396274.db2.gz GUQIPXVSXDJULN-UHFFFAOYSA-N -2 3 283.247 1.303 20 0 CDADHL O=C([O-])[C@@H]1CCN1C(=O)c1cc([O-])ccc1Cl ZINC000384610541 971940205 /nfs/dbraw/zinc/94/02/05/971940205.db2.gz MMHCUSPELXZRIH-VIFPVBQESA-N -2 3 255.657 1.345 20 0 CDADHL CN(CCC(=O)[O-])Cc1ccc(/C=C/C(=O)[O-])o1 ZINC001593740016 954351100 /nfs/dbraw/zinc/35/11/00/954351100.db2.gz GMZPODVUHQZJFQ-SNAWJCMRSA-N -2 3 253.254 1.284 20 0 CDADHL O=C([O-])C1(C(=O)Nc2n[n-]c(-c3ccccn3)n2)CCC1 ZINC001594877270 954387894 /nfs/dbraw/zinc/38/78/94/954387894.db2.gz XJDKVKZXROTLTP-UHFFFAOYSA-N -2 3 287.279 1.060 20 0 CDADHL C[C@@H](CN(C)Cc1c(F)ccc([O-])c1F)C(=O)[O-] ZINC001589034122 955548271 /nfs/dbraw/zinc/54/82/71/955548271.db2.gz POJXMCNIDPLNDI-ZETCQYMHSA-N -2 3 259.252 1.823 20 0 CDADHL CC(=O)c1cccc(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])c1[O-] ZINC001588533640 958908639 /nfs/dbraw/zinc/90/86/39/958908639.db2.gz BFMKDIXKRASAII-VHSXEESVSA-N -2 3 277.276 1.644 20 0 CDADHL O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1ccccc1[O-] ZINC000229024640 960053230 /nfs/dbraw/zinc/05/32/30/960053230.db2.gz MAUOQHDMZOWMOR-NRUUGDAUSA-N -2 3 275.304 1.718 20 0 CDADHL Cc1cc(=O)[n-]c(CN[C@@](C)(C(=O)[O-])c2ccccc2)n1 ZINC001574343453 960954733 /nfs/dbraw/zinc/95/47/33/960954733.db2.gz WXNAJSLBZHVZND-OAHLLOKOSA-N -2 3 287.319 1.580 20 0 CDADHL CC(C)C[C@H](CNC(=O)c1c([O-])cccc1O)CC(=O)[O-] ZINC000232429564 967740718 /nfs/dbraw/zinc/74/07/18/967740718.db2.gz UHKAFHOKITUJSL-JTQLQIEISA-N -2 3 295.335 1.965 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCC(F)F)c(F)c1 ZINC000394025833 972667594 /nfs/dbraw/zinc/66/75/94/972667594.db2.gz GLNVNCUCXPBJQW-UHFFFAOYSA-N -2 3 297.254 1.457 20 0 CDADHL C[C@H]1CCN(C(=O)Cc2ccc([O-])c(F)c2)C[C@H]1C(=O)[O-] ZINC001603417536 973129953 /nfs/dbraw/zinc/12/99/53/973129953.db2.gz SXJRNDDYTVILNX-GXSJLCMTSA-N -2 3 295.310 1.643 20 0 CDADHL COc1cccc([N-]S(=O)(=O)CCC(=O)[O-])c1F ZINC000690002559 976272122 /nfs/dbraw/zinc/27/21/22/976272122.db2.gz IVOBIDDVVBCLNW-UHFFFAOYSA-N -2 3 277.273 1.051 20 0 CDADHL C[C@H](/C=C\C(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001592213165 977272340 /nfs/dbraw/zinc/27/23/40/977272340.db2.gz WLUHWACMCXAXGR-FNMXCOMKSA-N -2 3 295.769 1.709 20 0 CDADHL CCCCC[C@@H](NC(=O)c1ccc(N)cc1[O-])C(=O)[O-] ZINC001595680930 982158264 /nfs/dbraw/zinc/15/82/64/982158264.db2.gz IOANNRQCTOAEHN-LLVKDONJSA-N -2 3 280.324 1.738 20 0 CDADHL CCC[C@@H](CC)[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001573729607 983090795 /nfs/dbraw/zinc/09/07/95/983090795.db2.gz VYFNLICCYSOWIH-MRVPVSSYSA-N -2 3 289.357 1.273 20 0 CDADHL CC(=O)C(C)(C)CCC(=O)[N-]OCCCC(=O)[O-] ZINC001589021293 985011744 /nfs/dbraw/zinc/01/17/44/985011744.db2.gz OVYOVEOOBLBDRB-UHFFFAOYSA-N -2 3 259.302 1.294 20 0 CDADHL C[C@H]1CN(C(=O)c2cc([O-])ccc2Cl)C[C@@H](C(=O)[O-])O1 ZINC001599924488 985181713 /nfs/dbraw/zinc/18/17/13/985181713.db2.gz HZCXCVMQHSJODU-CPCISQLKSA-N -2 3 299.710 1.360 20 0 CDADHL CCc1cccc(C(=O)N(OC)[C@@H](C)CC(=O)[O-])c1[O-] ZINC001597570606 988348201 /nfs/dbraw/zinc/34/82/01/988348201.db2.gz RRIVROHBOHEDPB-VIFPVBQESA-N -2 3 281.308 1.821 20 0 CDADHL CC(C)=CCC[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001590920912 990907471 /nfs/dbraw/zinc/90/74/71/990907471.db2.gz JDDYUNPIXLIAKD-UHFFFAOYSA-N -2 3 290.366 1.476 20 0 CDADHL COc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)C1CC1 ZINC001599377565 998512079 /nfs/dbraw/zinc/51/20/79/998512079.db2.gz FMDODMZZMCUYLT-UHFFFAOYSA-N -2 3 271.294 1.298 20 0 CDADHL C[C@H]1CCCN1S(=O)(=O)[N-]c1cc(C(=O)[O-])cs1 ZINC001594387812 999467341 /nfs/dbraw/zinc/46/73/41/999467341.db2.gz NYQPPYHLXIFOCK-ZETCQYMHSA-N -2 3 290.366 1.587 20 0 CDADHL COc1cc(C(=O)[N-]c2n[n-]c(-c3ccco3)n2)sn1 ZINC001654191829 1171598079 /nfs/dbraw/zinc/59/80/79/1171598079.db2.gz KJKJGTQIYMSIJO-UHFFFAOYSA-N -2 3 291.292 1.782 20 0 CDADHL Cc1nc(=NC(=O)c2c[n-]nc2-c2ccccn2)s[n-]1 ZINC000354586560 365566053 /nfs/dbraw/zinc/56/60/53/365566053.db2.gz LLIUDDMNOIPGER-UHFFFAOYSA-N -2 3 286.320 1.306 20 0 CDADHL CC1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CCC1 ZINC000232987428 342034978 /nfs/dbraw/zinc/03/49/78/342034978.db2.gz RIBQQLWNJKKHIH-UHFFFAOYSA-N -2 3 273.310 1.446 20 0 CDADHL COC(=O)c1[n-]c(=NC[C@H](C(=O)[O-])C2CCC2)sc1C ZINC000595978492 343209667 /nfs/dbraw/zinc/20/96/67/343209667.db2.gz WAGITKQLVNPNAH-VIFPVBQESA-N -2 3 298.364 1.573 20 0 CDADHL C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000253105366 344089901 /nfs/dbraw/zinc/08/99/01/344089901.db2.gz BAOZQTPBFIDBST-KYZUINATSA-N -2 3 287.337 1.835 20 0 CDADHL CCN(CC)S(=O)(=O)[N-]c1c([O-])cccc1F ZINC000608342047 345727313 /nfs/dbraw/zinc/72/73/13/345727313.db2.gz CWZZTUSGKUNWQA-UHFFFAOYSA-N -2 3 262.306 1.530 20 0 CDADHL Cc1ccc([O-])c(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])c1 ZINC000085321360 179015164 /nfs/dbraw/zinc/01/51/64/179015164.db2.gz JUXCFWGIFNHIHL-KOLCDFICSA-N -2 3 263.293 1.684 20 0 CDADHL O=C([O-])[C@H]1CCCN1C(=O)c1c[n-]c2ccccc2c1=O ZINC000037435762 346355779 /nfs/dbraw/zinc/35/57/79/346355779.db2.gz AGWOQKGPQLHHPA-GFCCVEGCSA-N -2 3 286.287 1.217 20 0 CDADHL CCC[C@H](C[N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000087501887 349248199 /nfs/dbraw/zinc/24/81/99/349248199.db2.gz IIJWRTZKCNLUNT-MRVPVSSYSA-N -2 3 277.367 1.527 20 0 CDADHL CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000088298411 349263983 /nfs/dbraw/zinc/26/39/83/349263983.db2.gz ZEVFHHNYAUXVFN-YUMQZZPRSA-N -2 3 289.357 1.211 20 0 CDADHL CC[C@H](C[N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000087499090 538174938 /nfs/dbraw/zinc/17/49/38/538174938.db2.gz CVLHRELWCLCVFL-MRVPVSSYSA-N -2 3 275.301 1.215 20 0 CDADHL CC(C)[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000036178071 356865221 /nfs/dbraw/zinc/86/52/21/356865221.db2.gz YWBVRAJLVGNRLN-JTQLQIEISA-N -2 3 293.291 1.352 20 0 CDADHL CO[C@H](C)CS(=O)(=O)[N-]c1cc(F)ccc1[O-] ZINC000193120256 358266953 /nfs/dbraw/zinc/26/69/53/358266953.db2.gz ZVZWVISORHEWDH-SSDOTTSWSA-N -2 3 263.290 1.308 20 0 CDADHL C[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000131758545 361141354 /nfs/dbraw/zinc/14/13/54/361141354.db2.gz GIOLGGKYNYCGCC-APPZFPTMSA-N -2 3 287.312 1.458 20 0 CDADHL Cc1nc(C=Cc2ccc(O)cc2)[n-]c(=O)c1CC(=O)[O-] ZINC000436580807 361535216 /nfs/dbraw/zinc/53/52/16/361535216.db2.gz XJEKXHHAAFDVTO-DAXSKMNVSA-N -2 3 286.287 1.994 20 0 CDADHL CCc1ncc(S(=O)(=O)[N-][C@@](C)(CC)C(=O)[O-])s1 ZINC000516923990 367213776 /nfs/dbraw/zinc/21/37/76/367213776.db2.gz ANLQULZMFMPWDP-JTQLQIEISA-N -2 3 292.382 1.237 20 0 CDADHL O=C([O-])Cn1cc(/C=C/c2ccc3cccc([O-])c3n2)nn1 ZINC000340178826 368340426 /nfs/dbraw/zinc/34/04/26/368340426.db2.gz XNVFTDDTWJZEPQ-VOTSOKGWSA-N -2 3 296.286 1.787 20 0 CDADHL O=C(c1ccccc1[O-])N1CCCC[C@@H]1c1n[nH]c(=O)[n-]1 ZINC000333226534 205132949 /nfs/dbraw/zinc/13/29/49/205132949.db2.gz FWLTUTBDHBSGPL-SNVBAGLBSA-N -2 3 288.307 1.583 20 0 CDADHL O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1c[n-]nn1 ZINC000520229594 391753063 /nfs/dbraw/zinc/75/30/63/391753063.db2.gz XQTJIUZEVYIJTK-LLVKDONJSA-N -2 3 288.307 1.011 20 0 CDADHL O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1cn[n-]n1 ZINC000520229594 391753065 /nfs/dbraw/zinc/75/30/65/391753065.db2.gz XQTJIUZEVYIJTK-LLVKDONJSA-N -2 3 288.307 1.011 20 0 CDADHL O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1cnn[n-]1 ZINC000520229594 391753068 /nfs/dbraw/zinc/75/30/68/391753068.db2.gz XQTJIUZEVYIJTK-LLVKDONJSA-N -2 3 288.307 1.011 20 0 CDADHL COC[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(C)cc2[O-])C1 ZINC000262766279 131260280 /nfs/dbraw/zinc/26/02/80/131260280.db2.gz GMNIKQQQJCJRFK-OAHLLOKOSA-N -2 3 293.319 1.264 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2C=CCCC2)c(F)c1 ZINC000185041552 148382955 /nfs/dbraw/zinc/38/29/55/148382955.db2.gz PPDRUETYODUKHN-JTQLQIEISA-N -2 3 299.323 1.911 20 0 CDADHL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000035390656 172174270 /nfs/dbraw/zinc/17/42/70/172174270.db2.gz KNRQIBACKUSALS-QMMMGPOBSA-N -2 3 277.367 1.526 20 0 CDADHL CCCC[C@H](NC(=O)c1cccc(OC)c1[O-])C(=O)[O-] ZINC000035410481 172181849 /nfs/dbraw/zinc/18/18/49/172181849.db2.gz VCJBXLREVKJKOK-JTQLQIEISA-N -2 3 281.308 1.774 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]CCC2(C)CC2)oc1C(=O)[O-] ZINC000663425859 414246937 /nfs/dbraw/zinc/24/69/37/414246937.db2.gz DIKWRZDIHNSERL-UHFFFAOYSA-N -2 3 287.337 1.755 20 0 CDADHL Cc1cc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)on1 ZINC000044993729 175286807 /nfs/dbraw/zinc/28/68/07/175286807.db2.gz HFSWBAKRXUUBML-UHFFFAOYSA-N -2 3 296.304 1.160 20 0 CDADHL CN(C)S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1[O-] ZINC000072301045 176364941 /nfs/dbraw/zinc/36/49/41/176364941.db2.gz KFHAQQTWWVLIOI-UHFFFAOYSA-N -2 3 284.259 1.629 20 0 CDADHL CCC[C@](C)([N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000583260615 325138852 /nfs/dbraw/zinc/13/88/52/325138852.db2.gz VCDJPAFWHPHMGP-JTQLQIEISA-N -2 3 261.299 1.201 20 0 CDADHL CCC[C@H](NC(=O)c1ccc([O-])c(F)c1)c1nnn[n-]1 ZINC000681055030 482674166 /nfs/dbraw/zinc/67/41/66/482674166.db2.gz OQNQJEOSZKPBES-VIFPVBQESA-N -2 3 279.275 1.316 20 0 CDADHL CCC[C@H](NC(=O)c1ccc([O-])c(F)c1)c1nn[n-]n1 ZINC000681055030 482674171 /nfs/dbraw/zinc/67/41/71/482674171.db2.gz OQNQJEOSZKPBES-VIFPVBQESA-N -2 3 279.275 1.316 20 0 CDADHL CC(C)[C@H](C)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134670306 483263083 /nfs/dbraw/zinc/26/30/83/483263083.db2.gz DQPRZDLNYALHBJ-LURJTMIESA-N -2 3 278.355 1.164 20 0 CDADHL O=C([O-])[C@@]1(CNC(=O)c2cc([O-])ccc2Cl)CCOC1 ZINC001601473688 1174879274 /nfs/dbraw/zinc/87/92/74/1174879274.db2.gz WABDFRVHOPGZKU-CYBMUJFWSA-N -2 3 299.710 1.267 20 0 CDADHL C[C@@H](OC(=O)c1cncc([O-])c1)c1ccc(C(=O)[O-])o1 ZINC000736696269 575724734 /nfs/dbraw/zinc/72/47/34/575724734.db2.gz JXQAHXBSRJLDHR-SSDOTTSWSA-N -2 3 277.232 1.996 20 0 CDADHL CCOC(=O)c1ccc(NC(=O)CN(C)C(=O)[O-])c([O-])c1 ZINC000737154993 575833270 /nfs/dbraw/zinc/83/32/70/575833270.db2.gz GFKLNSZVLHXBNL-UHFFFAOYSA-N -2 3 296.279 1.117 20 0 CDADHL O=C([O-])NCCC(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000738657200 576101207 /nfs/dbraw/zinc/10/12/07/576101207.db2.gz ZHOBJQZIQYQQFC-UHFFFAOYSA-N -2 3 293.258 1.207 20 0 CDADHL O=C([O-])CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000739799417 576296543 /nfs/dbraw/zinc/29/65/43/576296543.db2.gz HJUJYFGYHXZHBN-UHFFFAOYSA-N -2 3 263.293 1.372 20 0 CDADHL O=C([O-])[C@@H](OC(=O)c1cncc([O-])c1)c1ccccc1 ZINC000740300941 576459221 /nfs/dbraw/zinc/45/92/21/576459221.db2.gz YDVPTPCXFZEOKF-LBPRGKRZSA-N -2 3 273.244 1.770 20 0 CDADHL Nc1ccc(C(=O)Nc2ccccc2CC(=O)[O-])c([O-])c1 ZINC000763027475 576701549 /nfs/dbraw/zinc/70/15/49/576701549.db2.gz YBQFCGGJKPNBCM-UHFFFAOYSA-N -2 3 286.287 1.854 20 0 CDADHL O=C([O-])[C@@H]1CCCCN1C(=O)c1ccc(O)cc1[O-] ZINC000019260440 597669038 /nfs/dbraw/zinc/66/90/38/597669038.db2.gz ZOOUFANJSNDAPD-JTQLQIEISA-N -2 3 265.265 1.177 20 0 CDADHL Cc1ccc(C(=O)NC(C)(C)CC(=O)[O-])c([O-])c1 ZINC000084145913 600778884 /nfs/dbraw/zinc/77/88/84/600778884.db2.gz HXWNXASVGFYLPQ-UHFFFAOYSA-N -2 3 251.282 1.684 20 0 CDADHL CCCCC[C@@H](NC(=O)c1ccc(O)cc1[O-])C(=O)[O-] ZINC000829332968 601644176 /nfs/dbraw/zinc/64/41/76/601644176.db2.gz GNFHAHAJDATLQM-LLVKDONJSA-N -2 3 281.308 1.861 20 0 CDADHL CCc1cccc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1[O-] ZINC000830260147 602053211 /nfs/dbraw/zinc/05/32/11/602053211.db2.gz UFHGPXOUYDTIGA-OAHLLOKOSA-N -2 3 277.320 1.891 20 0 CDADHL CN(CC1CC1)S(=O)(=O)[N-]c1cc(C(=O)[O-])cs1 ZINC000830713447 602117027 /nfs/dbraw/zinc/11/70/27/602117027.db2.gz FLQOCPWSQFCGNH-UHFFFAOYSA-N -2 3 290.366 1.445 20 0 CDADHL CC(=O)c1ccc(C(=O)N2CCC[C@@]2(C)C(=O)[O-])cc1[O-] ZINC000909655216 620575508 /nfs/dbraw/zinc/57/55/08/620575508.db2.gz OGVQVJRLWCJZEJ-HNNXBMFYSA-N -2 3 291.303 1.674 20 0 CDADHL C[C@H](C(=O)[O-])N(C)C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000908987494 628457841 /nfs/dbraw/zinc/45/78/41/628457841.db2.gz RQYZNRVFTLTIKJ-ZCFIWIBFSA-N -2 3 291.225 1.956 20 0 CDADHL C[C@@H](CNC(=O)c1cc([O-])cc(C(F)(F)F)c1)C(=O)[O-] ZINC000909214955 628571513 /nfs/dbraw/zinc/57/15/13/628571513.db2.gz YNJIHJLGCJPCFN-LURJTMIESA-N -2 3 291.225 1.862 20 0 CDADHL C/C(=C/COC(=O)c1cccc2[n-]nnc21)C(=O)[O-] ZINC001609543276 1164984117 /nfs/dbraw/zinc/98/41/17/1164984117.db2.gz ULXXSAAZVLCAMR-ALCCZGGFSA-N -2 3 261.237 1.146 20 0 CDADHL O=C([O-])c1ccc(-c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000095233429 1166610416 /nfs/dbraw/zinc/61/04/16/1166610416.db2.gz DJNCXOVHXGDNKK-UHFFFAOYSA-N -2 3 267.248 1.627 20 0 CDADHL O=C([O-])c1ccc(-c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000095233429 1166610420 /nfs/dbraw/zinc/61/04/20/1166610420.db2.gz DJNCXOVHXGDNKK-UHFFFAOYSA-N -2 3 267.248 1.627 20 0 CDADHL C[C@@](CNCc1csc(C2CC2)n1)(CC(=O)[O-])C(=O)[O-] ZINC001646235188 1167716690 /nfs/dbraw/zinc/71/66/90/1167716690.db2.gz ZXFPDMBWGKDPQB-ZDUSSCGKSA-N -2 3 298.364 1.676 20 0 CDADHL CC[C@H](C)N(OC)C(=O)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001590412435 1173400490 /nfs/dbraw/zinc/40/04/90/1173400490.db2.gz OWVJCSOLAHIJGX-QMMMGPOBSA-N -2 3 291.311 1.374 20 0 CDADHL O=C(NOCCC1CC1)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001593169407 1174029166 /nfs/dbraw/zinc/02/91/66/1174029166.db2.gz QAXHSLAXCSIRQR-UHFFFAOYSA-N -2 3 289.295 1.034 20 0 CDADHL O=C([O-])c1ccc(-c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000095144989 1174497421 /nfs/dbraw/zinc/49/74/21/1174497421.db2.gz LNGYBZQBTIOCLN-UHFFFAOYSA-N -2 3 267.248 1.627 20 0 CDADHL O=C([O-])c1ccc(-c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000095144989 1174497422 /nfs/dbraw/zinc/49/74/22/1174497422.db2.gz LNGYBZQBTIOCLN-UHFFFAOYSA-N -2 3 267.248 1.627 20 0 CDADHL O=C([O-])C1CCC(Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000095177091 1174504872 /nfs/dbraw/zinc/50/48/72/1174504872.db2.gz MNBKNDSISCBZGM-UHFFFAOYSA-N -2 3 288.311 1.317 20 0 CDADHL O=C([O-])C1CCC(Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000095177091 1174504879 /nfs/dbraw/zinc/50/48/79/1174504879.db2.gz MNBKNDSISCBZGM-UHFFFAOYSA-N -2 3 288.311 1.317 20 0 CDADHL C[C@H](Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001603684184 1175598395 /nfs/dbraw/zinc/59/83/95/1175598395.db2.gz UWGWMADVBZARKV-ZETCQYMHSA-N -2 3 273.296 1.629 20 0 CDADHL C[C@H](Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001603684184 1175598399 /nfs/dbraw/zinc/59/83/99/1175598399.db2.gz UWGWMADVBZARKV-ZETCQYMHSA-N -2 3 273.296 1.629 20 0 CDADHL C[C@H](C(=O)[O-])N(C)C(=O)c1cc([O-])ccc1Cl ZINC000235165613 698044329 /nfs/dbraw/zinc/04/43/29/698044329.db2.gz BRDDLCLTXABYSY-ZCFIWIBFSA-N -2 3 257.673 1.591 20 0 CDADHL Cc1cccc([O-])c1C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC001607858015 1164311387 /nfs/dbraw/zinc/31/13/87/1164311387.db2.gz AVWPRHNTGZFSQO-ZDUSSCGKSA-N -2 3 267.256 1.339 20 0 CDADHL O=C([O-])c1ncoc1CCC(=O)[N-]OCCC(F)(F)F ZINC001608321702 1164491274 /nfs/dbraw/zinc/49/12/74/1164491274.db2.gz HOPPOULCIQEVJG-UHFFFAOYSA-N -2 3 296.201 1.306 20 0 CDADHL C[C@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)C(=O)[O-] ZINC001609794473 1165084499 /nfs/dbraw/zinc/08/44/99/1165084499.db2.gz XCAIIDSHQHVISB-QMMMGPOBSA-N -2 3 298.266 1.439 20 0 CDADHL COC(=O)c1cc(Cl)cc([N-]S(C)(=O)=O)c1[O-] ZINC001252719218 1165128992 /nfs/dbraw/zinc/12/89/92/1165128992.db2.gz NEYZTRULXPCXNL-UHFFFAOYSA-N -2 3 279.701 1.204 20 0 CDADHL O=C([O-])CSc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000095218009 1166609336 /nfs/dbraw/zinc/60/93/36/1166609336.db2.gz FDHLIPWVIASVMT-UHFFFAOYSA-N -2 3 291.336 1.317 20 0 CDADHL O=C([O-])CSc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000095218009 1166609340 /nfs/dbraw/zinc/60/93/40/1166609340.db2.gz FDHLIPWVIASVMT-UHFFFAOYSA-N -2 3 291.336 1.317 20 0 CDADHL CC[C@@H](C)[C@H](Sc1ncc(C(=O)OC)[n-]1)C(=O)[O-] ZINC001604941866 1167874883 /nfs/dbraw/zinc/87/48/83/1167874883.db2.gz AVZPMGHKDLBMQW-SVRRBLITSA-N -2 3 272.326 1.788 20 0 CDADHL CN(C)c1nc(Nc2ccc(C(=O)[O-])c(F)c2)cc(=O)[n-]1 ZINC001175161699 913462972 /nfs/dbraw/zinc/46/29/72/913462972.db2.gz QFXOUIVFKJQDKL-UHFFFAOYSA-N -2 3 292.270 1.829 20 0 CDADHL Cc1nc(C(=O)NCCCCP(=O)([O-])[O-])sc1C ZINC001192610565 923164184 /nfs/dbraw/zinc/16/41/84/923164184.db2.gz KFMLQNMCMRFQLZ-UHFFFAOYSA-N -2 3 292.297 1.448 20 0 CDADHL O=S(=O)(Cc1ccccn1)[N-]c1cc(F)ccc1[O-] ZINC001197821395 925245717 /nfs/dbraw/zinc/24/57/17/925245717.db2.gz SWCOHWUJEMJFBI-UHFFFAOYSA-N -2 3 282.296 1.868 20 0 CDADHL C[C@@H]1CC[C@H](C)[C@H](Oc2[n-]c(=O)nc3cn[n-]c32)C1 ZINC001233940586 943697183 /nfs/dbraw/zinc/69/71/83/943697183.db2.gz XUROBSLTJKSVFQ-KHQFGBGNSA-N -2 3 262.313 1.850 20 0 CDADHL [CH2]CC[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001261076158 945954706 /nfs/dbraw/zinc/95/47/06/945954706.db2.gz PHVGUXZSXPYOBU-UHFFFAOYSA-N -2 3 274.709 1.379 20 0 CDADHL [O-]c1cc(F)c(-c2ccc(-c3nnn[n-]3)nc2)c(F)c1 ZINC001241120930 946165012 /nfs/dbraw/zinc/16/50/12/946165012.db2.gz SRESIXNNZQMMDN-UHFFFAOYSA-N -2 3 275.218 1.913 20 0 CDADHL CCC1([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000379710244 971655363 /nfs/dbraw/zinc/65/53/63/971655363.db2.gz CTCVQMQMJAKVLF-UHFFFAOYSA-N -2 3 259.283 1.199 20 0 CDADHL CN(C)S(=O)(=O)[N-]c1c([O-])cccc1C(F)(F)F ZINC001251093746 950599902 /nfs/dbraw/zinc/59/99/02/950599902.db2.gz GFOLWUOPJQWYGD-UHFFFAOYSA-N -2 3 284.259 1.629 20 0 CDADHL O=C([O-])c1cc(NC(=O)c2cccc3n[n-]nc32)ccn1 ZINC001595209658 952358089 /nfs/dbraw/zinc/35/80/89/952358089.db2.gz RVYWVLDWBACMAL-UHFFFAOYSA-N -2 3 283.247 1.303 20 0 CDADHL Cc1nc(C(C)C)oc1C(=O)NCc1nc([O-])cc(=O)[n-]1 ZINC001363149101 971926335 /nfs/dbraw/zinc/92/63/35/971926335.db2.gz HLEPCHKLXKHGNP-UHFFFAOYSA-N -2 3 292.295 1.238 20 0 CDADHL CO[C@H](C(=O)[O-])C(=O)Nc1cc(Cl)ccc1[O-] ZINC001593912490 955980531 /nfs/dbraw/zinc/98/05/31/955980531.db2.gz ILCZZNWBZNHGDW-QMMMGPOBSA-N -2 3 259.645 1.084 20 0 CDADHL C[C@]1(C(=O)[O-])CCN(Cc2c(F)ccc([O-])c2F)C1 ZINC001589199130 956628352 /nfs/dbraw/zinc/62/83/52/956628352.db2.gz SIDKGBDUVYBPGV-ZDUSSCGKSA-N -2 3 271.263 1.967 20 0 CDADHL Cc1ccc(-c2nc(NC(=O)CCC(=O)[O-])n[n-]2)o1 ZINC001594337302 958273883 /nfs/dbraw/zinc/27/38/83/958273883.db2.gz HRBCBNZQPHBFNA-UHFFFAOYSA-N -2 3 264.241 1.176 20 0 CDADHL Cc1ccc(-c2nc(NC(=O)CCCCC(=O)[O-])n[n-]2)o1 ZINC001594337590 958279104 /nfs/dbraw/zinc/27/91/04/958279104.db2.gz LXFNMYAUBUVHEN-UHFFFAOYSA-N -2 3 292.295 1.957 20 0 CDADHL CC(C)c1cc([N-]C(=O)c2cc(C(=O)[O-])on2)no1 ZINC001570984448 963111466 /nfs/dbraw/zinc/11/14/66/963111466.db2.gz DDLNHDCAQBYYQO-UHFFFAOYSA-N -2 3 265.225 1.737 20 0 CDADHL C[C@@H](C(=O)[O-])C(=O)N([O-])Cc1ccccc1Cl ZINC000033962564 967502656 /nfs/dbraw/zinc/50/26/56/967502656.db2.gz GHAOVNGIKKDVFP-SSDOTTSWSA-N -2 3 257.673 1.779 20 0 CDADHL CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1cccc([O-])c1F ZINC001603324115 972668730 /nfs/dbraw/zinc/66/87/30/972668730.db2.gz VBGAPILFJNISHN-ZDUSSCGKSA-N -2 3 267.256 1.971 20 0 CDADHL Cc1cc(=O)[n-]c(CNC(=O)c2cc(F)c([O-])c(F)c2)n1 ZINC001418309665 973741608 /nfs/dbraw/zinc/74/16/08/973741608.db2.gz UJIALCWHKLZIMK-UHFFFAOYSA-N -2 3 295.245 1.404 20 0 CDADHL O=C([O-])[C@@H](CNC(=O)c1ccccc1[O-])CC1CC1 ZINC000405430789 973877973 /nfs/dbraw/zinc/87/79/73/973877973.db2.gz ATLYRBZCPUQVDW-SNVBAGLBSA-N -2 3 263.293 1.623 20 0 CDADHL CO[C@H]1CN(C(=O)c2ccccc2[O-])[C@](C)(C(=O)[O-])C1 ZINC000702725716 977107207 /nfs/dbraw/zinc/10/72/07/977107207.db2.gz CPKLUWBYHCNUHY-OTYXRUKQSA-N -2 3 279.292 1.096 20 0 CDADHL CC[C@@H]1C[C@H](CC(=O)[N-]OCCCC(=O)[O-])CCO1 ZINC001595412321 981010150 /nfs/dbraw/zinc/01/01/50/981010150.db2.gz CLOIYPQFTAMUGB-GHMZBOCLSA-N -2 3 273.329 1.494 20 0 CDADHL CC[C@](C)(NC(=O)c1cc2c(cc1[O-])OCO2)C(=O)[O-] ZINC001594841906 982059020 /nfs/dbraw/zinc/05/90/20/982059020.db2.gz ITCAEJNAUVSJOV-ZDUSSCGKSA-N -2 3 281.264 1.104 20 0 CDADHL C=C/C=C/CC[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001588720580 983968342 /nfs/dbraw/zinc/96/83/42/983968342.db2.gz BFSXIGOODIGDRD-ONEGZZNKSA-N -2 3 271.294 1.388 20 0 CDADHL CC(C)(C)[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)C(=O)[O-] ZINC001589718445 987874561 /nfs/dbraw/zinc/87/45/61/987874561.db2.gz JDPSVKSKBLSVID-JTQLQIEISA-N -2 3 294.286 1.326 20 0 CDADHL C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001599881089 989484794 /nfs/dbraw/zinc/48/47/94/989484794.db2.gz RCESTNNTOONZDD-SFKDOBOXSA-N -2 3 285.321 1.301 20 0 CDADHL CCC(CC)C[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000124757173 342065516 /nfs/dbraw/zinc/06/55/16/342065516.db2.gz XOUIMLPBMUTCKP-UHFFFAOYSA-N -2 3 292.382 1.556 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]CC2CC=CC2)oc1C(=O)[O-] ZINC000629334206 361843159 /nfs/dbraw/zinc/84/31/59/361843159.db2.gz HNTBVTZCELELRY-UHFFFAOYSA-N -2 3 285.321 1.531 20 0 CDADHL COc1ccc(C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC000566235789 370654883 /nfs/dbraw/zinc/65/48/83/370654883.db2.gz SXCMNCJUDYMZHN-CABZTGNLSA-N -2 3 293.319 1.584 20 0 CDADHL CCCCc1[n-]n(-c2nnc(C)c(=O)[n-]2)c(=O)c1C ZINC000634586086 356465839 /nfs/dbraw/zinc/46/58/39/356465839.db2.gz BIEYOIMDPMSRAE-ZETCQYMHSA-N -2 3 263.301 1.415 20 0 CDADHL COc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])c([O-])c1 ZINC000019517051 358102624 /nfs/dbraw/zinc/10/26/24/358102624.db2.gz JLOJNGOGKAMGKF-NSHDSACASA-N -2 3 281.308 1.630 20 0 CDADHL COc1ccc([O-])c(C(=O)N[C@@H](C)[C@H](C)C(=O)[O-])c1 ZINC000132571964 361248564 /nfs/dbraw/zinc/24/85/64/361248564.db2.gz FMYALXYCCVCGQI-YUMQZZPRSA-N -2 3 267.281 1.240 20 0 CDADHL Cc1ccc([O-])c(C(=O)N[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000019384679 364075135 /nfs/dbraw/zinc/07/51/35/364075135.db2.gz ZIFIOHBNMWLFIT-NSHDSACASA-N -2 3 265.309 1.930 20 0 CDADHL C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000270422930 364595847 /nfs/dbraw/zinc/59/58/47/364595847.db2.gz GBLLBNQSHHLZJS-LURJTMIESA-N -2 3 295.719 1.621 20 0 CDADHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000275326698 193000961 /nfs/dbraw/zinc/00/09/61/193000961.db2.gz YNKWYRODWQGFOD-QMMMGPOBSA-N -2 3 291.394 1.916 20 0 CDADHL O=C([N-]c1n[n-]c(C(F)(F)F)n1)c1ocnc1C1CC1 ZINC000289954159 369732737 /nfs/dbraw/zinc/73/27/37/369732737.db2.gz IBULVANQAQAQLP-UHFFFAOYSA-N -2 3 287.201 1.941 20 0 CDADHL C[C@H](O[C@@H](C)C(=O)Nc1cc(Cl)ccc1[O-])C(=O)[O-] ZINC000421810725 244846548 /nfs/dbraw/zinc/84/65/48/244846548.db2.gz XVBUTRFEENPEOA-BQBZGAKWSA-N -2 3 287.699 1.862 20 0 CDADHL Cc1cccc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CC2)c1F ZINC000313207711 371150316 /nfs/dbraw/zinc/15/03/16/371150316.db2.gz KUXKKTKQTAVXAD-NSHDSACASA-N -2 3 287.312 1.276 20 0 CDADHL Cc1cccc(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])c1F ZINC000274984312 371199564 /nfs/dbraw/zinc/19/95/64/371199564.db2.gz YBVSRFFAQFICLC-MRVPVSSYSA-N -2 3 275.301 1.276 20 0 CDADHL FC(F)(F)c1nnc(CN=c2[n-]nc(C3CC3)o2)[n-]1 ZINC000343019757 374847999 /nfs/dbraw/zinc/84/79/99/374847999.db2.gz ZTESNFKEERCVJQ-UHFFFAOYSA-N -2 3 274.206 1.118 20 0 CDADHL FC(F)(F)c1nc(CN=c2[n-]nc(C3CC3)o2)n[n-]1 ZINC000343019757 374848002 /nfs/dbraw/zinc/84/80/02/374848002.db2.gz ZTESNFKEERCVJQ-UHFFFAOYSA-N -2 3 274.206 1.118 20 0 CDADHL FC(F)(F)c1n[n-]c(CN=c2[n-]nc(C3CC3)o2)n1 ZINC000343019757 374848006 /nfs/dbraw/zinc/84/80/06/374848006.db2.gz ZTESNFKEERCVJQ-UHFFFAOYSA-N -2 3 274.206 1.118 20 0 CDADHL COC(C)(C)c1nc(=NC(=O)c2c[n-]nc2C)s[n-]1 ZINC000634154024 379097535 /nfs/dbraw/zinc/09/75/35/379097535.db2.gz WAWBJKOCKDKPCE-UHFFFAOYSA-N -2 3 281.341 1.125 20 0 CDADHL C[C@H]1SCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000646060227 391958100 /nfs/dbraw/zinc/95/81/00/391958100.db2.gz HWVXAOUYVSVRJL-HTRCEHHLSA-N -2 3 291.350 1.150 20 0 CDADHL CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000645941278 393411567 /nfs/dbraw/zinc/41/15/67/393411567.db2.gz YGROYSIHIGTCDJ-SSDOTTSWSA-N -2 3 275.326 1.753 20 0 CDADHL CCC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1F)C(=O)[O-] ZINC000262672536 149093164 /nfs/dbraw/zinc/09/31/64/149093164.db2.gz PXOKNPFHEFLOLV-SNVBAGLBSA-N -2 3 289.328 1.666 20 0 CDADHL O=C(NCc1ncccc1[O-])c1cc(F)c(F)c([O-])c1F ZINC000352510292 155237630 /nfs/dbraw/zinc/23/76/30/155237630.db2.gz SHESRJZHEVHRJI-UHFFFAOYSA-N -2 3 298.220 1.840 20 0 CDADHL CCOC(=O)c1ccc(C(=O)N=c2ccc([O-])n[n-]2)cc1 ZINC000362170192 159090364 /nfs/dbraw/zinc/09/03/64/159090364.db2.gz DUNNCEABXJSCNY-UHFFFAOYSA-N -2 3 287.275 1.033 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1C(=O)[O-] ZINC000021510674 171310005 /nfs/dbraw/zinc/31/00/05/171310005.db2.gz BHNDUEVBFRJCTD-UHFFFAOYSA-N -2 3 297.254 1.534 20 0 CDADHL CCn1ccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])n1 ZINC000656634678 413499405 /nfs/dbraw/zinc/49/94/05/413499405.db2.gz CMNDZQCQDFTDOZ-UHFFFAOYSA-N -2 3 297.336 1.418 20 0 CDADHL CC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000035186345 172040818 /nfs/dbraw/zinc/04/08/18/172040818.db2.gz MAGCFYHBMIFHRE-QMMMGPOBSA-N -2 3 295.719 1.621 20 0 CDADHL CC[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C(=O)[O-] ZINC000035408607 172179025 /nfs/dbraw/zinc/17/90/25/172179025.db2.gz ASGOSUOPYBDEOS-SECBINFHSA-N -2 3 274.276 1.121 20 0 CDADHL CC[C@H]([N-]S(=O)(=O)c1cc(C)ccc1F)C(=O)[O-] ZINC000035410736 172181732 /nfs/dbraw/zinc/18/17/32/172181732.db2.gz QOQZRZHTCNUCEJ-VIFPVBQESA-N -2 3 275.301 1.276 20 0 CDADHL CC[C@@H](C)CC[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000656715713 413594960 /nfs/dbraw/zinc/59/49/60/413594960.db2.gz AAACGYITZYANLG-SSDOTTSWSA-N -2 3 292.382 1.556 20 0 CDADHL COc1ccc([O-])c(C(=O)N2CCC[C@@H]2CC(=O)[O-])c1 ZINC000042144784 174643246 /nfs/dbraw/zinc/64/32/46/174643246.db2.gz LWPHZQOZBISLKM-SECBINFHSA-N -2 3 279.292 1.480 20 0 CDADHL Cn1ncc([N-]S(=O)(=O)CCC(C)(C)C)c1C(=O)[O-] ZINC000514895714 280855987 /nfs/dbraw/zinc/85/59/87/280855987.db2.gz FSXZOIUSHVVJBN-UHFFFAOYSA-N -2 3 289.357 1.296 20 0 CDADHL Cc1ccc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)c([O-])c1 ZINC000095322420 289062570 /nfs/dbraw/zinc/06/25/70/289062570.db2.gz GHCUNLVUNLANRV-JTQLQIEISA-N -2 3 287.323 1.234 20 0 CDADHL Cc1ccc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c([O-])c1 ZINC000095322420 289062574 /nfs/dbraw/zinc/06/25/74/289062574.db2.gz GHCUNLVUNLANRV-JTQLQIEISA-N -2 3 287.323 1.234 20 0 CDADHL C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)CC(=O)[O-] ZINC000147237608 289067069 /nfs/dbraw/zinc/06/70/69/289067069.db2.gz YQVMCOKBYGGFLY-ZCFIWIBFSA-N -2 3 297.785 1.791 20 0 CDADHL COc1ccc([O-])c(C(=O)N2CCC[C@@]2(C)C(=O)[O-])c1 ZINC000079481803 295164981 /nfs/dbraw/zinc/16/49/81/295164981.db2.gz MLYDLGIMNDMIRI-AWEZNQCLSA-N -2 3 279.292 1.480 20 0 CDADHL CCC[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1nnn[n-]1 ZINC000681055029 482674256 /nfs/dbraw/zinc/67/42/56/482674256.db2.gz OQNQJEOSZKPBES-SECBINFHSA-N -2 3 279.275 1.316 20 0 CDADHL CCC[C@@H](NC(=O)c1ccc([O-])c(F)c1)c1nn[n-]n1 ZINC000681055029 482674259 /nfs/dbraw/zinc/67/42/59/482674259.db2.gz OQNQJEOSZKPBES-SECBINFHSA-N -2 3 279.275 1.316 20 0 CDADHL O=C(c1ccc([O-])c(F)c1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000681058814 482676868 /nfs/dbraw/zinc/67/68/68/482676868.db2.gz RKDFIENTGAPFRU-VIFPVBQESA-N -2 3 291.286 1.064 20 0 CDADHL O=C(c1ccc([O-])c(F)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000681058814 482676873 /nfs/dbraw/zinc/67/68/73/482676873.db2.gz RKDFIENTGAPFRU-VIFPVBQESA-N -2 3 291.286 1.064 20 0 CDADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]CC2CC2)c1F ZINC000184898837 524190947 /nfs/dbraw/zinc/19/09/47/524190947.db2.gz KIBDCYDFGHCHPB-UHFFFAOYSA-N -2 3 287.312 1.521 20 0 CDADHL CCC[C@H]([N-]S(=O)(=O)c1cnc(CC)s1)C(=O)[O-] ZINC000262354481 535706826 /nfs/dbraw/zinc/70/68/26/535706826.db2.gz BQYRFQJAEVLRSJ-ZETCQYMHSA-N -2 3 292.382 1.237 20 0 CDADHL Cc1nocc1S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)(C)C ZINC001600817929 1174627295 /nfs/dbraw/zinc/62/72/95/1174627295.db2.gz GIQNCWKTFFGAOI-SECBINFHSA-N -2 3 290.341 1.151 20 0 CDADHL O=C([O-])CCC(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC001601969055 1175091366 /nfs/dbraw/zinc/09/13/66/1175091366.db2.gz MHGPJDINSYGXLY-UHFFFAOYSA-N -2 3 294.090 1.912 20 0 CDADHL O=C([O-])CCN(CC(=O)[O-])Cc1cc(F)c(F)cc1F ZINC001602004389 1175108096 /nfs/dbraw/zinc/10/80/96/1175108096.db2.gz BFEODAHFZCWZKM-UHFFFAOYSA-N -2 3 291.225 1.465 20 0 CDADHL O=C([O-])CCCCCNC(=O)c1cc2c(cc1[O-])OCO2 ZINC000819401271 597237207 /nfs/dbraw/zinc/23/72/07/597237207.db2.gz SFVPSVJDSQHPSH-UHFFFAOYSA-N -2 3 295.291 1.496 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCc2ccccc2)o1 ZINC000020593319 599764592 /nfs/dbraw/zinc/76/45/92/599764592.db2.gz AYHPEGZDBVGMST-UHFFFAOYSA-N -2 3 295.316 1.499 20 0 CDADHL C[C@H](CN(C)Cc1nc(=O)c2sccc2[n-]1)C(=O)[O-] ZINC000042704884 600506612 /nfs/dbraw/zinc/50/66/12/600506612.db2.gz UYIQOTCPHZKWTL-SSDOTTSWSA-N -2 3 281.337 1.549 20 0 CDADHL COc1ccc(C(=O)NC(C)(C)CC(=O)[O-])c([O-])c1 ZINC000084145912 600778692 /nfs/dbraw/zinc/77/86/92/600778692.db2.gz YSPJTCUEGOQPFD-UHFFFAOYSA-N -2 3 267.281 1.384 20 0 CDADHL CC1(C)CC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000131038796 604553958 /nfs/dbraw/zinc/55/39/58/604553958.db2.gz CEZQYMOQALOPPS-MRVPVSSYSA-N -2 3 287.337 1.835 20 0 CDADHL COC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(C)cc1[O-] ZINC000262774225 604718623 /nfs/dbraw/zinc/71/86/23/604718623.db2.gz HWKSTHOMAXZOOM-CQSZACIVSA-N -2 3 281.308 1.310 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]C2(CC(=O)[O-])CCC2)o1 ZINC000829847230 605009765 /nfs/dbraw/zinc/00/97/65/605009765.db2.gz XQLMRQYQFJRNPV-UHFFFAOYSA-N -2 3 273.310 1.264 20 0 CDADHL CC[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)[O-] ZINC000833645373 605010968 /nfs/dbraw/zinc/01/09/68/605010968.db2.gz IZNKEFQQJSTFOZ-SECBINFHSA-N -2 3 264.237 1.690 20 0 CDADHL C[C@H]1CCN(C(=O)Cc2ccc([O-])c(F)c2)[C@@H](C(=O)[O-])C1 ZINC000909779719 628672861 /nfs/dbraw/zinc/67/28/61/628672861.db2.gz KUGAJSPYIJBDFJ-JOYOIKCWSA-N -2 3 295.310 1.786 20 0 CDADHL O=C([O-])[C@@H](F)C1CN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000910127410 628872532 /nfs/dbraw/zinc/87/25/32/628872532.db2.gz GPUNEEOSRQMPOF-JTQLQIEISA-N -2 3 287.674 1.540 20 0 CDADHL CC(C)[C@@H](CO)O[N-]C(=O)CCc1ccccc1C(=O)[O-] ZINC000911815172 629508626 /nfs/dbraw/zinc/50/86/26/629508626.db2.gz UWYUFTDNGSJNBN-CYBMUJFWSA-N -2 3 295.335 1.382 20 0 CDADHL CC(C)O[N-]C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000911811179 629543195 /nfs/dbraw/zinc/54/31/95/629543195.db2.gz VEWFCFGCYGTHBP-UHFFFAOYSA-N -2 3 255.314 1.868 20 0 CDADHL O=C([O-])c1ccoc1CN1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC001608955037 1164696417 /nfs/dbraw/zinc/69/64/17/1164696417.db2.gz COSFZZSVDZAZAP-QMMMGPOBSA-N -2 3 293.279 1.446 20 0 CDADHL O=C([N-]OC1CCC1)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001609559916 1164986485 /nfs/dbraw/zinc/98/64/85/1164986485.db2.gz LMKBWTOISVFYAO-UHFFFAOYSA-N -2 3 299.334 1.499 20 0 CDADHL O=C([N-]OC1CCC1)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001609559916 1164986490 /nfs/dbraw/zinc/98/64/90/1164986490.db2.gz LMKBWTOISVFYAO-UHFFFAOYSA-N -2 3 299.334 1.499 20 0 CDADHL CC[C@H](C)[C@H](Nc1ncccc1-c1nnn[n-]1)C(=O)[O-] ZINC000095259382 1166614160 /nfs/dbraw/zinc/61/41/60/1166614160.db2.gz CVDKAIQWIYBBPR-CBAPKCEASA-N -2 3 276.300 1.173 20 0 CDADHL CC[C@H](C)[C@H](Nc1ncccc1-c1nn[n-]n1)C(=O)[O-] ZINC000095259382 1166614163 /nfs/dbraw/zinc/61/41/63/1166614163.db2.gz CVDKAIQWIYBBPR-CBAPKCEASA-N -2 3 276.300 1.173 20 0 CDADHL O=C(Nc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001593232598 1174037234 /nfs/dbraw/zinc/03/72/34/1174037234.db2.gz ONYFIOYADANHPF-UHFFFAOYSA-N -2 3 299.265 1.964 20 0 CDADHL O=C([O-])CCCCNC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC001601988866 1175100957 /nfs/dbraw/zinc/10/09/57/1175100957.db2.gz DGPNMEMKNBNKLI-FMIVXFBMSA-N -2 3 288.303 1.142 20 0 CDADHL CC(C)c1cc(=O)n(Cc2cccc(-c3nn[n-]n3)c2)[n-]1 ZINC001603241827 1175524341 /nfs/dbraw/zinc/52/43/41/1175524341.db2.gz ZJIFDINISKCZNW-UHFFFAOYSA-N -2 3 284.323 1.611 20 0 CDADHL O=C([O-])[C@@H]1CC[C@@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000923139130 705437229 /nfs/dbraw/zinc/43/72/29/705437229.db2.gz GGWVYFFWGBUFMM-SCZZXKLOSA-N -2 3 267.256 1.053 20 0 CDADHL O=C([N-][N-]S(=O)(=O)c1ccc(F)cc1)C1CCCC1 ZINC000029048619 705501379 /nfs/dbraw/zinc/50/13/79/705501379.db2.gz VMYAIIYEMDCAMD-UHFFFAOYSA-N -2 3 286.328 1.325 20 0 CDADHL O=C([O-])CCCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000095233158 705728670 /nfs/dbraw/zinc/72/86/70/705728670.db2.gz HVWSSSYVWIQHBE-UHFFFAOYSA-N -2 3 275.268 1.060 20 0 CDADHL CCC(=O)[N-][N-]S(=O)(=O)c1ccc(C)cc1Cl ZINC000066607840 705940921 /nfs/dbraw/zinc/94/09/21/705940921.db2.gz PIXSQCRPAHINHO-UHFFFAOYSA-N -2 3 276.745 1.368 20 0 CDADHL CC(=O)c1ccc(C(=O)N[C@@H](C)CC(=O)[O-])cc1[O-] ZINC000842697284 710465079 /nfs/dbraw/zinc/46/50/79/710465079.db2.gz RVHFQUCYYWPKHS-ZETCQYMHSA-N -2 3 265.265 1.188 20 0 CDADHL CCOCCO[N-]C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000775598888 711483253 /nfs/dbraw/zinc/48/32/53/711483253.db2.gz AGHCEFNGNPHFJV-UHFFFAOYSA-N -2 3 288.373 1.925 20 0 CDADHL O=C([N-]O[C@H]1CCCCO1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000816913791 711602940 /nfs/dbraw/zinc/60/29/40/711602940.db2.gz TUTXVPWAOYJFPW-NSHDSACASA-N -2 3 279.296 1.248 20 0 CDADHL CCS(=O)(=O)[N-]c1cccnc1SCCC(=O)[O-] ZINC001610048467 1165195310 /nfs/dbraw/zinc/19/53/10/1165195310.db2.gz YSBGYFQXAHJOOP-UHFFFAOYSA-N -2 3 290.366 1.410 20 0 CDADHL O=C([O-])c1nsc([N-]C(=O)c2cccc(F)c2F)n1 ZINC001602587073 1167824649 /nfs/dbraw/zinc/82/46/49/1167824649.db2.gz QIWSUHXZTVRXKV-UHFFFAOYSA-N -2 3 285.231 1.767 20 0 CDADHL Cc1nc(Nc2ccc(CC(=O)[O-])cc2)cc(=O)[n-]1 ZINC001174948186 913410628 /nfs/dbraw/zinc/41/06/28/913410628.db2.gz YMOCYZICPFRCHT-UHFFFAOYSA-N -2 3 259.265 1.861 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])[C@H]1CCc2ccccc21 ZINC001181762050 917347843 /nfs/dbraw/zinc/34/78/43/917347843.db2.gz CPCLLZIHNCCXQX-ZDUSSCGKSA-N -2 3 297.291 1.791 20 0 CDADHL COc1ccc(C)cc1NC(=O)NCCP(=O)([O-])[O-] ZINC001202871031 936574481 /nfs/dbraw/zinc/57/44/81/936574481.db2.gz OAACHPBJJPNJIC-UHFFFAOYSA-N -2 3 288.240 1.303 20 0 CDADHL O=S(=O)([N-]c1ccc(F)c([O-])c1)c1ccco1 ZINC001186857126 920221564 /nfs/dbraw/zinc/22/15/64/920221564.db2.gz JIZDLQAOUPHKFK-UHFFFAOYSA-N -2 3 257.242 1.925 20 0 CDADHL COc1ncccc1S(=O)(=O)[N-]c1ccc(F)c([O-])c1 ZINC001194711126 924327662 /nfs/dbraw/zinc/32/76/62/924327662.db2.gz HWJSJEOKVOOVHI-UHFFFAOYSA-N -2 3 298.295 1.736 20 0 CDADHL CCOC(=O)c1ncc(NC(=O)c2nc(C)ccc2[O-])[n-]1 ZINC001195321519 924524431 /nfs/dbraw/zinc/52/44/31/924524431.db2.gz FGQBUORVSYWKKB-UHFFFAOYSA-N -2 3 290.279 1.248 20 0 CDADHL Cc1cccc(C(=O)NCCCCP(=O)([O-])[O-])n1 ZINC001147221543 932452448 /nfs/dbraw/zinc/45/24/48/932452448.db2.gz HPQAXGYDVGTTGM-UHFFFAOYSA-N -2 3 272.241 1.078 20 0 CDADHL COc1ccc([C@H](C)OCCP(=O)([O-])[O-])cn1 ZINC001224608077 941775218 /nfs/dbraw/zinc/77/52/18/941775218.db2.gz YQMZAFPQQNCKPT-QMMMGPOBSA-N -2 3 261.214 1.346 20 0 CDADHL O=P([O-])([O-])CCOC(C(F)(F)F)C(F)(F)F ZINC001224606886 941775789 /nfs/dbraw/zinc/77/57/89/941775789.db2.gz SLRDFWYSOXWMFH-UHFFFAOYSA-N -2 3 276.069 1.674 20 0 CDADHL CCOC(=O)[C@H](CC)OCCCCP(=O)([O-])[O-] ZINC001225019056 941814502 /nfs/dbraw/zinc/81/45/02/941814502.db2.gz PTEAVLQQVWKRDJ-VIFPVBQESA-N -2 3 268.246 1.303 20 0 CDADHL F[C@H]1COCC[C@@H]1Oc1nc2ncnc-2c([S-])[n-]1 ZINC001226780862 942068955 /nfs/dbraw/zinc/06/89/55/942068955.db2.gz BVCNUPYGPRDTSF-WDSKDSINSA-N -2 3 270.289 1.147 20 0 CDADHL Cc1ccc2c(c1)[C@H](Oc1nc(=O)[n-]c(=O)[n-]1)CC2 ZINC001227566466 942189750 /nfs/dbraw/zinc/18/97/50/942189750.db2.gz GIMFBULMSJDRIV-SNVBAGLBSA-N -2 3 259.265 1.658 20 0 CDADHL C[C@H](COc1nc(=O)[n-]c(=O)[n-]1)OCc1ccccc1 ZINC001227571496 942190560 /nfs/dbraw/zinc/19/05/60/942190560.db2.gz UYAASSRIVOYGIY-SECBINFHSA-N -2 3 277.280 1.267 20 0 CDADHL C[C@@H](COc1ccccc1)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233935382 943693310 /nfs/dbraw/zinc/69/33/10/943693310.db2.gz RMTQMORFBBPKIK-VIFPVBQESA-N -2 3 286.291 1.493 20 0 CDADHL O=c1nc2cn[n-]c2c(O[C@H]2CCc3cccnc32)[n-]1 ZINC001233939089 943694536 /nfs/dbraw/zinc/69/45/36/943694536.db2.gz HMSOKGSQQXJJGK-VIFPVBQESA-N -2 3 269.264 1.108 20 0 CDADHL Cc1cc(-c2nn[n-]n2)ccc1-c1cnn(CC(=O)[O-])c1 ZINC001242186550 946630631 /nfs/dbraw/zinc/63/06/31/946630631.db2.gz FTJPREZBQOQBIS-UHFFFAOYSA-N -2 3 284.279 1.123 20 0 CDADHL COC(=O)c1nc2nc(-c3ccc(C(=O)[O-])nc3)ccc2[n-]1 ZINC001242338469 946683874 /nfs/dbraw/zinc/68/38/74/946683874.db2.gz WZWPYTLUGFWQFB-UHFFFAOYSA-N -2 3 298.258 1.505 20 0 CDADHL COC(=O)c1nc2ccc(-c3ccc(C(=O)[O-])nc3)nc2[n-]1 ZINC001242338469 946683877 /nfs/dbraw/zinc/68/38/77/946683877.db2.gz WZWPYTLUGFWQFB-UHFFFAOYSA-N -2 3 298.258 1.505 20 0 CDADHL C[C@]1(C(=O)[O-])CCCN1C(=O)c1ccc(O)cc1[O-] ZINC000079480164 949003269 /nfs/dbraw/zinc/00/32/69/949003269.db2.gz GUEBCWLYLCOMOM-CYBMUJFWSA-N -2 3 265.265 1.177 20 0 CDADHL O=C([O-])c1cccc(C(=O)N2CCCc3c(=O)[n-]cnc32)c1 ZINC001595240654 949450185 /nfs/dbraw/zinc/45/01/85/949450185.db2.gz IJENKRHRBCKBMX-UHFFFAOYSA-N -2 3 299.286 1.473 20 0 CDADHL O=C([O-])CC1(C(=O)[N-]OCc2cccnc2)CCC1 ZINC001594976892 950930808 /nfs/dbraw/zinc/93/08/08/950930808.db2.gz WSUFCPRAKBHZAJ-UHFFFAOYSA-N -2 3 264.281 1.274 20 0 CDADHL O=C([O-])c1ccccc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC001594784661 953656513 /nfs/dbraw/zinc/65/65/13/953656513.db2.gz AZDJCBXFYTXJFZ-LLVKDONJSA-N -2 3 280.280 1.965 20 0 CDADHL O=C(NCc1nc([O-])cc(=O)[nH]1)c1ccc(Cl)c([O-])c1 ZINC001363326540 972085894 /nfs/dbraw/zinc/08/58/94/972085894.db2.gz LDGKOVRMOAOVKS-UHFFFAOYSA-N -2 3 295.682 1.177 20 0 CDADHL CC(C)(C)[C@@H](NC(=O)c1ccccc1[O-])c1nc(=O)o[n-]1 ZINC001363455120 972180736 /nfs/dbraw/zinc/18/07/36/972180736.db2.gz BRUXPKUDLSUDLJ-JTQLQIEISA-N -2 3 291.307 1.586 20 0 CDADHL O=C([O-])[C@H]1CCCN1Cc1ccc([O-])c(F)c1F ZINC001574784544 957787201 /nfs/dbraw/zinc/78/72/01/957787201.db2.gz JXNWCOFKQYBLNX-MRVPVSSYSA-N -2 3 257.236 1.719 20 0 CDADHL Cc1ccc(-c2nc(NC(=O)[C@@H]3CC[C@H]3C(=O)[O-])n[n-]2)o1 ZINC001574350278 960983626 /nfs/dbraw/zinc/98/36/26/960983626.db2.gz LPPICOAICHNBJC-HTQZYQBOSA-N -2 3 290.279 1.422 20 0 CDADHL CCc1cccc(C(=O)Nc2n[nH]cc2C(=O)[O-])c1[O-] ZINC001573960362 961681610 /nfs/dbraw/zinc/68/16/10/961681610.db2.gz FAJVFHGMGPTOFA-UHFFFAOYSA-N -2 3 275.264 1.628 20 0 CDADHL CCc1cccc(C(=O)Nc2c[nH]nc2C(=O)[O-])c1[O-] ZINC001573960680 961683842 /nfs/dbraw/zinc/68/38/42/961683842.db2.gz LTRFOFDAGPPMLI-UHFFFAOYSA-N -2 3 275.264 1.628 20 0 CDADHL C[C@]1([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC=CCC1 ZINC000694209414 976680851 /nfs/dbraw/zinc/68/08/51/976680851.db2.gz MJBBMVCEHNEIFZ-LBPRGKRZSA-N -2 3 285.321 1.755 20 0 CDADHL CC(C)(C)CC(=O)[N-]OCc1cc(C(=O)[O-])co1 ZINC001589740901 988012756 /nfs/dbraw/zinc/01/27/56/988012756.db2.gz PTMLFLLXGUPAAL-UHFFFAOYSA-N -2 3 255.270 1.962 20 0 CDADHL CCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001597500385 988054403 /nfs/dbraw/zinc/05/44/03/988054403.db2.gz LKNRUUNLOTVSOO-RNCFNFMXSA-N -2 3 293.319 1.269 20 0 CDADHL C[C@@H](OC(=O)CCCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC001593525638 995564024 /nfs/dbraw/zinc/56/40/24/995564024.db2.gz NXUBIXNLABGCCR-MRVPVSSYSA-N -2 3 270.256 1.870 20 0 CDADHL CON(C(=O)Cc1ccc([O-])c(F)c1)[C@@H](C)CC(=O)[O-] ZINC001599309934 997396839 /nfs/dbraw/zinc/39/68/39/997396839.db2.gz MUSUYOCDANTBKH-QMMMGPOBSA-N -2 3 285.271 1.327 20 0 CDADHL COC(=O)c1cnc(SCC(C)(C)C(=O)[O-])[n-]1 ZINC001598916673 997483395 /nfs/dbraw/zinc/48/33/95/997483395.db2.gz HFOYMZWQXPXRKX-UHFFFAOYSA-N -2 3 258.299 1.399 20 0 CDADHL COC(=O)c1cc(C(=O)OCC2(CC(=O)[O-])CC2)c[n-]1 ZINC001598926420 997655438 /nfs/dbraw/zinc/65/54/38/997655438.db2.gz KCHLGJGZKRYQDH-UHFFFAOYSA-N -2 3 281.264 1.213 20 0 CDADHL COC(=O)c1ccc(C(=O)Nc2cc(C(=O)[O-])n(C)c2)[n-]1 ZINC001598958273 998284760 /nfs/dbraw/zinc/28/47/60/998284760.db2.gz BAMIEXHDZNXEOH-UHFFFAOYSA-N -2 3 291.263 1.090 20 0 CDADHL Cc1cc(=O)[n-]c(CNc2ncc(C(=O)[O-])cc2Cl)n1 ZINC001600064559 1174349737 /nfs/dbraw/zinc/34/97/37/1174349737.db2.gz SKDZYTFFMBEJPP-UHFFFAOYSA-N -2 3 294.698 1.849 20 0 CDADHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cccs1 ZINC000123892787 342065868 /nfs/dbraw/zinc/06/58/68/342065868.db2.gz CJELDUCIAREABK-MRVPVSSYSA-N -2 3 277.367 1.527 20 0 CDADHL O=S(=O)(C[C@H]1CCCCO1)[N-]c1cccc([O-])c1F ZINC000131549727 342234663 /nfs/dbraw/zinc/23/46/63/342234663.db2.gz GTMWAMLIQLZRMN-SECBINFHSA-N -2 3 289.328 1.842 20 0 CDADHL O=C([O-])[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000085326783 179018319 /nfs/dbraw/zinc/01/83/19/179018319.db2.gz FARDSIWZXQTLAT-PSASIEDQSA-N -2 3 287.312 1.357 20 0 CDADHL CCc1ccc([O-])c(C(=O)N(C)Cc2n[n-]c(=O)o2)c1 ZINC000622118487 351016244 /nfs/dbraw/zinc/01/62/44/351016244.db2.gz YOLHSDULEDCXOE-UHFFFAOYSA-N -2 3 277.280 1.315 20 0 CDADHL Cc1nnc(-n2[n-]c3c(c2=O)C[C@H](C(C)C)CC3)[n-]c1=O ZINC000634586879 356465884 /nfs/dbraw/zinc/46/58/84/356465884.db2.gz ZDPJAAXADXFARM-NXEZZACHSA-N -2 3 289.339 1.661 20 0 CDADHL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccccc2[O-])C1 ZINC000263348387 357442756 /nfs/dbraw/zinc/44/27/56/357442756.db2.gz PDJFOCCFWBQZQQ-UWVGGRQHSA-N -2 3 263.293 1.575 20 0 CDADHL CCC[C@H]([N-]C(=O)C(F)(F)C(F)F)c1nnn[n-]1 ZINC000268165496 363992733 /nfs/dbraw/zinc/99/27/33/363992733.db2.gz IZCAMGWODBCLEV-BYPYZUCNSA-N -2 3 269.202 1.058 20 0 CDADHL O=C([O-])C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000034936945 364180664 /nfs/dbraw/zinc/18/06/64/364180664.db2.gz MLHKYHGFCMWEDJ-UHFFFAOYSA-N -2 3 284.120 1.356 20 0 CDADHL O=C([N-]O[C@@H]1CCCCO1)C(=O)c1ccc([O-])cc1 ZINC000280805541 367543373 /nfs/dbraw/zinc/54/33/73/367543373.db2.gz PYATWPQIMJJEGP-LLVKDONJSA-N -2 3 265.265 1.149 20 0 CDADHL CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1 ZINC000282161985 367753911 /nfs/dbraw/zinc/75/39/11/367753911.db2.gz GVJLATCPOXJAEV-VIFPVBQESA-N -2 3 287.337 1.090 20 0 CDADHL CO[C@@H](C)CS(=O)(=O)[N-]c1cccc(C(C)=O)c1[O-] ZINC000573762778 371650976 /nfs/dbraw/zinc/65/09/76/371650976.db2.gz BWPGFRYEUMKBNH-QMMMGPOBSA-N -2 3 287.337 1.371 20 0 CDADHL O=C(N=c1[n-]nc(C=Cc2ccco2)s1)c1nnc[n-]1 ZINC000345093611 377833014 /nfs/dbraw/zinc/83/30/14/377833014.db2.gz TYXYKQGHTGBWDL-ONEGZZNKSA-N -2 3 288.292 1.094 20 0 CDADHL O=C(N=c1[n-]nc(C=Cc2ccco2)s1)c1nc[n-]n1 ZINC000345093611 377833017 /nfs/dbraw/zinc/83/30/17/377833017.db2.gz TYXYKQGHTGBWDL-ONEGZZNKSA-N -2 3 288.292 1.094 20 0 CDADHL CCOc1cc(C(=O)Nc2nnn[n-]2)cc(Cl)c1[O-] ZINC000186817622 140071032 /nfs/dbraw/zinc/07/10/32/140071032.db2.gz JKSOBBBQDKUNGJ-UHFFFAOYSA-N -2 3 283.675 1.210 20 0 CDADHL CCOc1cc(C(=O)Nc2nn[n-]n2)cc(Cl)c1[O-] ZINC000186817622 140071034 /nfs/dbraw/zinc/07/10/34/140071034.db2.gz JKSOBBBQDKUNGJ-UHFFFAOYSA-N -2 3 283.675 1.210 20 0 CDADHL O=C([O-])c1cccc(CNC(=O)c2ccc3n[n-]nc3c2)c1 ZINC000193709453 391289424 /nfs/dbraw/zinc/28/94/24/391289424.db2.gz PDSPKAOKCWULGT-UHFFFAOYSA-N -2 3 296.286 1.586 20 0 CDADHL CC[C@@H](CS(=O)(=O)[N-]c1cc(OC)ccc1[O-])OC ZINC000421145261 391824320 /nfs/dbraw/zinc/82/43/20/391824320.db2.gz CTDXPQDXXCZWGW-VIFPVBQESA-N -2 3 289.353 1.568 20 0 CDADHL CC[C@H](CS(=O)(=O)[N-]c1ccccc1C(=O)[O-])OC ZINC000421159323 391825214 /nfs/dbraw/zinc/82/52/14/391825214.db2.gz SZWAMEJBZDYSQE-SECBINFHSA-N -2 3 287.337 1.552 20 0 CDADHL CC[C@@H](CS(=O)(=O)[N-]c1ccccc1C(=O)[O-])OC ZINC000421159325 391825513 /nfs/dbraw/zinc/82/55/13/391825513.db2.gz SZWAMEJBZDYSQE-VIFPVBQESA-N -2 3 287.337 1.552 20 0 CDADHL Cn1cc(S(=O)(=O)[N-]c2cccc([O-])c2F)cn1 ZINC000127882841 392631441 /nfs/dbraw/zinc/63/14/41/392631441.db2.gz VJULOPVDMQOMRA-UHFFFAOYSA-N -2 3 271.273 1.066 20 0 CDADHL CCc1cc(=O)[n-]c(CN2[C@@H](C)CC[C@H]2C(=O)[O-])n1 ZINC000650501602 398022605 /nfs/dbraw/zinc/02/26/05/398022605.db2.gz KXJKYOXFUJHWHA-WPRPVWTQSA-N -2 3 265.313 1.182 20 0 CDADHL O=C(Nc1cc(F)cc(Cl)c1[O-])c1c[n-]nn1 ZINC000353856765 156125510 /nfs/dbraw/zinc/12/55/10/156125510.db2.gz JQPFEFSRLWHKTB-UHFFFAOYSA-N -2 3 256.624 1.555 20 0 CDADHL O=C(Nc1cc(F)cc(Cl)c1[O-])c1cnn[n-]1 ZINC000353856765 156125514 /nfs/dbraw/zinc/12/55/14/156125514.db2.gz JQPFEFSRLWHKTB-UHFFFAOYSA-N -2 3 256.624 1.555 20 0 CDADHL O=C(Nc1cc(F)cc(Cl)c1[O-])c1cn[n-]n1 ZINC000353856765 156125517 /nfs/dbraw/zinc/12/55/17/156125517.db2.gz JQPFEFSRLWHKTB-UHFFFAOYSA-N -2 3 256.624 1.555 20 0 CDADHL CCCC[C@H](NC(=O)c1ccc2n[n-]nc2c1)C(=O)[O-] ZINC000035410165 172181015 /nfs/dbraw/zinc/18/10/15/172181015.db2.gz XOBZHHOHNYYTQI-JTQLQIEISA-N -2 3 276.296 1.331 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]CCCC2CCC2)c1 ZINC000656733070 413604719 /nfs/dbraw/zinc/60/47/19/413604719.db2.gz ZVLGWECJAIKLIE-UHFFFAOYSA-N -2 3 287.337 1.836 20 0 CDADHL CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1cc(F)ccc1[O-] ZINC000663060281 413875748 /nfs/dbraw/zinc/87/57/48/413875748.db2.gz KQAXBNXNGOBZDH-ZDUSSCGKSA-N -2 3 267.256 1.971 20 0 CDADHL CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1ncccc1[O-] ZINC000663114607 413952569 /nfs/dbraw/zinc/95/25/69/413952569.db2.gz HDTQIDIGZPSYHA-GFCCVEGCSA-N -2 3 250.254 1.227 20 0 CDADHL CSc1ccc([O-])c(C(=O)N[C@@H](C)C(=O)[O-])c1 ZINC000659761586 414085080 /nfs/dbraw/zinc/08/50/80/414085080.db2.gz OGKYMNLBWRTTEN-LURJTMIESA-N -2 3 255.295 1.317 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]C[C@H]2CC=CCC2)oc1C(=O)[O-] ZINC000663418173 414240476 /nfs/dbraw/zinc/24/04/76/414240476.db2.gz ACWYLPSAUWYJBL-JTQLQIEISA-N -2 3 299.348 1.921 20 0 CDADHL CC(C)(CC(=O)Nc1cccc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC000078880187 177399909 /nfs/dbraw/zinc/39/99/09/177399909.db2.gz WKJVGAMPSGQDQC-UHFFFAOYSA-N -2 3 289.295 1.306 20 0 CDADHL CC(C)(CC(=O)Nc1cccc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC000078880187 177399910 /nfs/dbraw/zinc/39/99/10/177399910.db2.gz WKJVGAMPSGQDQC-UHFFFAOYSA-N -2 3 289.295 1.306 20 0 CDADHL O=C([O-])[C@]1(C(=O)Nc2ncccc2[O-])CC=CCC1 ZINC000653310127 424553445 /nfs/dbraw/zinc/55/34/45/424553445.db2.gz VLIJQIOGMGNELW-CYBMUJFWSA-N -2 3 262.265 1.537 20 0 CDADHL C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000650425924 424604531 /nfs/dbraw/zinc/60/45/31/424604531.db2.gz WFASMHNKJNYBRG-QMMMGPOBSA-N -2 3 287.312 1.357 20 0 CDADHL COc1ccc([O-])c(C(=O)N([C@@H](C)C(=O)[O-])C2CC2)c1 ZINC000262069499 295164792 /nfs/dbraw/zinc/16/47/92/295164792.db2.gz CRFBHUSUHZXDJN-QMMMGPOBSA-N -2 3 279.292 1.479 20 0 CDADHL COc1ccc(C(=O)N(CC(=O)[O-])CC(C)C)c([O-])c1 ZINC000062742045 523609904 /nfs/dbraw/zinc/60/99/04/523609904.db2.gz GNAZRYYAXFYRHK-UHFFFAOYSA-N -2 3 281.308 1.584 20 0 CDADHL O=C([O-])[C@H](CNC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000061608574 526303614 /nfs/dbraw/zinc/30/36/14/526303614.db2.gz SKEVASCUCAYYDB-CQSZACIVSA-N -2 3 285.299 1.990 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]C/C=C/Cl)oc1C(=O)[O-] ZINC001600298686 1174440642 /nfs/dbraw/zinc/44/06/42/1174440642.db2.gz KMHFEAIRDGEFQG-NSCUHMNNSA-N -2 3 279.701 1.317 20 0 CDADHL O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000739553856 574451743 /nfs/dbraw/zinc/45/17/43/574451743.db2.gz SENLDYMOMTZLCQ-YUMQZZPRSA-N -2 3 290.254 1.270 20 0 CDADHL CN(CC(=O)[O-])Cn1[n-]c(C(C)(C)C)nc1=S ZINC000739634485 576269347 /nfs/dbraw/zinc/26/93/47/576269347.db2.gz NYSMXKPWZFBZLD-UHFFFAOYSA-N -2 3 258.347 1.212 20 0 CDADHL Cc1cc(=O)[n-]c(CN2CCc3ccccc3[C@H]2C(=O)[O-])n1 ZINC000832899072 602315347 /nfs/dbraw/zinc/31/53/47/602315347.db2.gz GQBMTLPHYCELMG-HNNXBMFYSA-N -2 3 299.330 1.675 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]C2CCN(C(=O)[O-])CC2)o1 ZINC000833751179 605009754 /nfs/dbraw/zinc/00/97/54/605009754.db2.gz DBQOTQNVZAJZMX-UHFFFAOYSA-N -2 3 288.325 1.009 20 0 CDADHL O=C([O-])c1cc(C=Cc2ccccc2-c2nnn[n-]2)ncn1 ZINC000826462283 608048076 /nfs/dbraw/zinc/04/80/76/608048076.db2.gz TUYRGBBCXCEENY-WAYWQWQTSA-N -2 3 294.274 1.525 20 0 CDADHL O=C([O-])c1cc(C=Cc2ccccc2-c2nn[n-]n2)ncn1 ZINC000826462283 608048077 /nfs/dbraw/zinc/04/80/77/608048077.db2.gz TUYRGBBCXCEENY-WAYWQWQTSA-N -2 3 294.274 1.525 20 0 CDADHL O=C([O-])CCS(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC000011756027 617888465 /nfs/dbraw/zinc/88/84/65/617888465.db2.gz WAMIGAHSGVPAAL-UHFFFAOYSA-N -2 3 283.227 1.320 20 0 CDADHL O=C([O-])[C@H]1[C@@H]2CN(C(=O)c3cc([O-])c4ccccc4c3)C[C@@H]21 ZINC000910802272 618516214 /nfs/dbraw/zinc/51/62/14/618516214.db2.gz ZCECOTKJHXWIQK-NHAGDIPZSA-N -2 3 297.310 1.948 20 0 CDADHL O=C([O-])CCN(C(=O)Cc1ccc([O-])c(F)c1)C1CC1 ZINC000908872969 628404818 /nfs/dbraw/zinc/40/48/18/628404818.db2.gz IHWKJUHKORSDMQ-UHFFFAOYSA-N -2 3 281.283 1.540 20 0 CDADHL CC(=O)c1ccc(C(=O)N2C[C@@H](F)C[C@H]2C(=O)[O-])cc1[O-] ZINC000910443953 629070252 /nfs/dbraw/zinc/07/02/52/629070252.db2.gz YDHWMPHAYASCPD-ONGXEEELSA-N -2 3 295.266 1.232 20 0 CDADHL CC(Cl)(Cl)C(=O)[N-]Cc1ocnc1C(=O)[O-] ZINC001604241120 1163132050 /nfs/dbraw/zinc/13/20/50/1163132050.db2.gz ADCYQFIZWNMSLL-UHFFFAOYSA-N -2 3 267.068 1.183 20 0 CDADHL CCc1cc(C(=O)[O-])c([N-]S(=O)(=O)CC)s1 ZINC001605789293 1163672629 /nfs/dbraw/zinc/67/26/29/1163672629.db2.gz SZUIPOSWXXBJAP-UHFFFAOYSA-N -2 3 263.340 1.770 20 0 CDADHL CN(Cc1ccc(OCC(=O)[O-])cc1)c1cc(=O)[n-]cn1 ZINC001606163211 1163794958 /nfs/dbraw/zinc/79/49/58/1163794958.db2.gz VFWHFYVEILLJHX-UHFFFAOYSA-N -2 3 289.291 1.282 20 0 CDADHL O=C([O-])[C@@H]1CO[C@H](CCC(=O)[N-]OC/C=C\Cl)C1 ZINC001608314081 1164489082 /nfs/dbraw/zinc/48/90/82/1164489082.db2.gz IVQMOHDVCJBDII-MVHPKMBFSA-N -2 3 277.704 1.057 20 0 CDADHL CC(=Cc1cnccn1)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001609060324 1164755490 /nfs/dbraw/zinc/75/54/90/1164755490.db2.gz ISEQVUJYGNURDS-ALCCZGGFSA-N -2 3 296.294 1.021 20 0 CDADHL CC(=Cc1cnccn1)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001609060324 1164755495 /nfs/dbraw/zinc/75/54/95/1164755495.db2.gz ISEQVUJYGNURDS-ALCCZGGFSA-N -2 3 296.294 1.021 20 0 CDADHL O=C([O-])c1n[nH]cc1NC(=O)c1cc([O-])ccc1Cl ZINC001610702716 1165409872 /nfs/dbraw/zinc/40/98/72/1165409872.db2.gz CQVRJNRVSMORSN-UHFFFAOYSA-N -2 3 281.655 1.719 20 0 CDADHL CCCN(CC(=O)[O-])c1ccc(-c2nn[n-]n2)cc1F ZINC000095289579 1166620696 /nfs/dbraw/zinc/62/06/96/1166620696.db2.gz YYNPZRWWVPQWKU-UHFFFAOYSA-N -2 3 279.275 1.307 20 0 CDADHL O=C([O-])[C@@H]1[C@@H]2CCN(Cc3ccc([O-])c(F)c3F)C[C@@H]21 ZINC001574400579 1170971219 /nfs/dbraw/zinc/97/12/19/1170971219.db2.gz YTBFLLMHCWJVGM-WCABBAIRSA-N -2 3 283.274 1.823 20 0 CDADHL CC(C)c1cc(=O)n(-c2ccc(-c3nnn[n-]3)cn2)[n-]1 ZINC001589499185 1173151230 /nfs/dbraw/zinc/15/12/30/1173151230.db2.gz JDNGQHFYKNOORI-UHFFFAOYSA-N -2 3 271.284 1.010 20 0 CDADHL CC(C)c1cc(=O)n(-c2ccc(-c3nn[n-]n3)cn2)[n-]1 ZINC001589499185 1173151234 /nfs/dbraw/zinc/15/12/34/1173151234.db2.gz JDNGQHFYKNOORI-UHFFFAOYSA-N -2 3 271.284 1.010 20 0 CDADHL Cc1cnc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)o1 ZINC001592293555 1173848222 /nfs/dbraw/zinc/84/82/22/1173848222.db2.gz DTJYQGRTGIKGCJ-UHFFFAOYSA-N -2 3 286.251 1.121 20 0 CDADHL O=Cc1ccc(-c2ccc(CC(=O)[O-])c(-c3nnn[n-]3)c2)o1 ZINC001593416027 1174076690 /nfs/dbraw/zinc/07/66/90/1174076690.db2.gz RLNQXFDPHVTHFJ-UHFFFAOYSA-N -2 3 298.258 1.566 20 0 CDADHL O=Cc1ccc(-c2ccc(CC(=O)[O-])c(-c3nn[n-]n3)c2)o1 ZINC001593416027 1174076697 /nfs/dbraw/zinc/07/66/97/1174076697.db2.gz RLNQXFDPHVTHFJ-UHFFFAOYSA-N -2 3 298.258 1.566 20 0 CDADHL Cc1cc(=O)[n-]c(C(C)(C)NCc2cc(C(=O)[O-])no2)n1 ZINC001600064552 1174349662 /nfs/dbraw/zinc/34/96/62/1174349662.db2.gz SEFZEUJWSKDCIB-UHFFFAOYSA-N -2 3 292.295 1.202 20 0 CDADHL Cc1cc([N-]S(=O)(=O)CCC2CC2)nc(C)c1C(=O)[O-] ZINC001600281744 1174436893 /nfs/dbraw/zinc/43/68/93/1174436893.db2.gz MHYGLNZGBYUIGO-UHFFFAOYSA-N -2 3 298.364 1.938 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@H]2CC23CCC3)oc1C(=O)[O-] ZINC001600298573 1174440144 /nfs/dbraw/zinc/44/01/44/1174440144.db2.gz KBLGHNHEWONIOX-QMMMGPOBSA-N -2 3 285.321 1.507 20 0 CDADHL O=C([O-])c1cccc(CCN=c2ncnc3[nH][n-]cc2-3)c1 ZINC001602436811 1175239655 /nfs/dbraw/zinc/23/96/55/1175239655.db2.gz NELAUQDHMUJHKG-UHFFFAOYSA-N -2 3 283.291 1.079 20 0 CDADHL O=S(=O)([N-]c1nc[n-]n1)C1=Cc2ccccc2OCC1 ZINC000186405975 712219185 /nfs/dbraw/zinc/21/91/85/712219185.db2.gz GPDBUKLEBGSKOC-UHFFFAOYSA-N -2 3 292.320 1.370 20 0 CDADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(C)(C)C(F)F ZINC001608040857 1164390969 /nfs/dbraw/zinc/39/09/69/1164390969.db2.gz XOMQSMVNPLKJQY-UHFFFAOYSA-N -2 3 297.279 1.608 20 0 CDADHL CC(C)O[N-]C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001609101881 1164769470 /nfs/dbraw/zinc/76/94/70/1164769470.db2.gz RLSJLPSGTNNJDQ-SECBINFHSA-N -2 3 291.311 1.090 20 0 CDADHL CC(C)O[N-]C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001609101881 1164769478 /nfs/dbraw/zinc/76/94/78/1164769478.db2.gz RLSJLPSGTNNJDQ-SECBINFHSA-N -2 3 291.311 1.090 20 0 CDADHL CCc1ccc([O-])c(C(=O)N(C)C(C)(C)C(=O)[O-])c1 ZINC001610063331 1165200879 /nfs/dbraw/zinc/20/08/79/1165200879.db2.gz XDWZMYMLUQNFNT-UHFFFAOYSA-N -2 3 265.309 1.890 20 0 CDADHL O=C([O-])c1cccc(Nc2cc(=O)[n-]c(=S)[nH]2)c1 ZINC001175327128 913540640 /nfs/dbraw/zinc/54/06/40/913540640.db2.gz BLTPAUSGJDWWGF-UHFFFAOYSA-N -2 3 263.278 1.913 20 0 CDADHL Cc1ccc(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])c([O-])c1 ZINC000713553865 909630339 /nfs/dbraw/zinc/63/03/39/909630339.db2.gz WGKCIQRPUGTOSV-VIFPVBQESA-N -2 3 285.246 1.635 20 0 CDADHL Cc1nc(NC(=O)C2(C(=O)[O-])CCCCC2)cc(=O)[n-]1 ZINC001180433596 916328954 /nfs/dbraw/zinc/32/89/54/916328954.db2.gz BRICEOBIJLSEKF-UHFFFAOYSA-N -2 3 279.296 1.464 20 0 CDADHL CCCCCNC(=O)NCCCCP(=O)([O-])[O-] ZINC001193346717 923618982 /nfs/dbraw/zinc/61/89/82/923618982.db2.gz SVPULQWKLPVMCO-UHFFFAOYSA-N -2 3 266.278 1.434 20 0 CDADHL O=C(Nc1ncc([O-])cc1Br)c1cc(=O)[nH][n-]1 ZINC001193461768 923693308 /nfs/dbraw/zinc/69/33/08/923693308.db2.gz STHKTKOWSUBGCT-UHFFFAOYSA-N -2 3 299.084 1.231 20 0 CDADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)CC1CCC1 ZINC001193523786 923769926 /nfs/dbraw/zinc/76/99/26/923769926.db2.gz NGETZYBVKKCEGT-UHFFFAOYSA-N -2 3 299.348 1.721 20 0 CDADHL CCOC([O-])=NC(=S)Nc1ncc(F)cc1[O-] ZINC001195458168 924602109 /nfs/dbraw/zinc/60/21/09/924602109.db2.gz OGEVADAABZCABT-UHFFFAOYSA-N -2 3 259.262 1.369 20 0 CDADHL CCOC(=O)[N-]C(=S)Nc1ncc(F)cc1[O-] ZINC001195458168 924602112 /nfs/dbraw/zinc/60/21/12/924602112.db2.gz OGEVADAABZCABT-UHFFFAOYSA-N -2 3 259.262 1.369 20 0 CDADHL O=C([O-])C[C@@H](NCc1ccc(F)c(F)c1F)C(=O)[O-] ZINC001119549277 925380712 /nfs/dbraw/zinc/38/07/12/925380712.db2.gz DYCDJANGKRNYOK-SSDOTTSWSA-N -2 3 277.198 1.121 20 0 CDADHL Cc1ccc(C(=O)N[C@@]2(CC(=O)[O-])CCCOC2)c([O-])c1 ZINC000823350025 931296519 /nfs/dbraw/zinc/29/65/19/931296519.db2.gz YRZKLXMOOGUGSP-OAHLLOKOSA-N -2 3 293.319 1.454 20 0 CDADHL COC(=O)[C@H]1CCC[C@H](OCCCCP(=O)([O-])[O-])C1 ZINC001225018778 941814766 /nfs/dbraw/zinc/81/47/66/941814766.db2.gz HPSAZENNKDRXRU-QWRGUYRKSA-N -2 3 294.284 1.693 20 0 CDADHL O=c1nc(OC[C@@H]2CCc3ccccc3O2)[n-]c(=O)[n-]1 ZINC001227565790 942189101 /nfs/dbraw/zinc/18/91/01/942189101.db2.gz BWNFCBXZYMSSNA-VIFPVBQESA-N -2 3 275.264 1.055 20 0 CDADHL C[C@H](COc1ccccc1)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227566609 942189614 /nfs/dbraw/zinc/18/96/14/942189614.db2.gz IXLCPGPADCASQX-MRVPVSSYSA-N -2 3 263.253 1.129 20 0 CDADHL CC(C)Oc1ccc(COc2nc(=O)[n-]c(=O)[n-]2)cn1 ZINC001227569428 942191037 /nfs/dbraw/zinc/19/10/37/942191037.db2.gz BADOVYHSIMDNMJ-UHFFFAOYSA-N -2 3 278.268 1.044 20 0 CDADHL C[C@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1cccnc1 ZINC001233933628 943693104 /nfs/dbraw/zinc/69/31/04/943693104.db2.gz DQIBAGOOCHMJRA-ZETCQYMHSA-N -2 3 257.253 1.181 20 0 CDADHL O=c1nc2cn[n-]c2c(OC[C@@H]2Cc3ccccc3O2)[n-]1 ZINC001233933473 943693128 /nfs/dbraw/zinc/69/31/28/943693128.db2.gz BTAYIEVIAUGHER-VIFPVBQESA-N -2 3 284.275 1.029 20 0 CDADHL COc1cc(-c2cncc(-c3nnn[n-]3)c2)ccc1C(=O)[O-] ZINC001240744996 946011712 /nfs/dbraw/zinc/01/17/12/946011712.db2.gz RBIZLBDPEJSVHO-UHFFFAOYSA-N -2 3 297.274 1.636 20 0 CDADHL COc1cc(-c2cncc(-c3nn[n-]n3)c2)ccc1C(=O)[O-] ZINC001240744996 946011721 /nfs/dbraw/zinc/01/17/21/946011721.db2.gz RBIZLBDPEJSVHO-UHFFFAOYSA-N -2 3 297.274 1.636 20 0 CDADHL O=C([O-])Cn1cc(-c2ccc3c(c2)[N-]C(=S)C3)cn1 ZINC001242187020 946632743 /nfs/dbraw/zinc/63/27/43/946632743.db2.gz SYFAPIMUWOHIHI-UHFFFAOYSA-N -2 3 273.317 1.930 20 0 CDADHL O=c1cc(Cc2ccccc2)[n-]n1-c1cc(=O)[n-]cn1 ZINC001245925916 947848473 /nfs/dbraw/zinc/84/84/73/947848473.db2.gz VPVOFSYFJMZJSZ-UHFFFAOYSA-N -2 3 268.276 1.664 20 0 CDADHL Cc1noc(C)c1S(=O)(=O)[N-]c1cncc([O-])c1 ZINC001258511150 948920776 /nfs/dbraw/zinc/92/07/76/948920776.db2.gz HWNWHNBOAOLXGA-UHFFFAOYSA-N -2 3 269.282 1.193 20 0 CDADHL CC(C)C1([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000379713687 971655450 /nfs/dbraw/zinc/65/54/50/971655450.db2.gz TWQDSXRSOKFJFV-UHFFFAOYSA-N -2 3 273.310 1.445 20 0 CDADHL C[C@H](C(=O)[O-])N(C(=O)c1ccc(O)cc1[O-])C1CC1 ZINC000382963962 951232044 /nfs/dbraw/zinc/23/20/44/951232044.db2.gz PNQUFABATYGQLJ-SSDOTTSWSA-N -2 3 265.265 1.176 20 0 CDADHL O=C([O-])[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1C1CC1 ZINC001574776703 957765688 /nfs/dbraw/zinc/76/56/88/957765688.db2.gz IKNJZRUQBWBDPC-NWDGAFQWSA-N -2 3 275.304 1.575 20 0 CDADHL CCCc1occc1C(=O)NCc1nc([O-])cc(=O)[n-]1 ZINC001418627199 960828899 /nfs/dbraw/zinc/82/88/99/960828899.db2.gz VGZIYSVLEUGWDQ-UHFFFAOYSA-N -2 3 277.280 1.363 20 0 CDADHL Cc1cc(=O)[n-]c(CN[C@H](C(=O)[O-])c2ccc(F)cc2)n1 ZINC001574343400 960952741 /nfs/dbraw/zinc/95/27/41/960952741.db2.gz UJHJLOWJZZZUPY-ZDUSSCGKSA-N -2 3 291.282 1.545 20 0 CDADHL O=C([N-]c1n[n-]c(C(F)(F)F)n1)c1c(F)ccnc1F ZINC001337666071 961349332 /nfs/dbraw/zinc/34/93/32/961349332.db2.gz DXPFAWBNANAQJQ-UHFFFAOYSA-N -2 3 293.155 1.749 20 0 CDADHL C[C@@H]1CSC[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000397965907 973045188 /nfs/dbraw/zinc/04/51/88/973045188.db2.gz GAWVAWJJXDHQFR-RNFRBKRXSA-N -2 3 291.350 1.008 20 0 CDADHL COc1cccc([O-])c1C(=O)NCC(C)(C)C(=O)[O-] ZINC000404605498 973735738 /nfs/dbraw/zinc/73/57/38/973735738.db2.gz BULZKXKCJFNILK-UHFFFAOYSA-N -2 3 267.281 1.241 20 0 CDADHL O=C([O-])[C@H]1CCCCN1C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001606441825 973889993 /nfs/dbraw/zinc/88/99/93/973889993.db2.gz LDQTXGCHCHLKBQ-SNVBAGLBSA-N -2 3 291.307 1.139 20 0 CDADHL CC(C)[C@H]([N-]S(=O)(=O)c1occc1C(=O)[O-])C1CC1 ZINC000871995220 980027353 /nfs/dbraw/zinc/02/73/53/980027353.db2.gz NREXOLMLYXHTEQ-JTQLQIEISA-N -2 3 287.337 1.691 20 0 CDADHL CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cscn1)C(=O)[O-] ZINC001594952604 982671313 /nfs/dbraw/zinc/67/13/13/982671313.db2.gz JZCKPGOKJDJAGJ-HTQZYQBOSA-N -2 3 292.382 1.311 20 0 CDADHL CCc1ccc(CC(=O)[N-]OCCCC(=O)[O-])cc1 ZINC001597520975 988153349 /nfs/dbraw/zinc/15/33/49/988153349.db2.gz GWTVEOZCMZGNFV-UHFFFAOYSA-N -2 3 265.309 1.704 20 0 CDADHL CC[C@@H](C(=O)[O-])C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001604879653 1163365296 /nfs/dbraw/zinc/36/52/96/1163365296.db2.gz ZUGRIRTVWIOHAC-MRVPVSSYSA-N -2 3 265.265 1.644 20 0 CDADHL CC(C)([N-]S(=O)(=O)c1cncc(C(=O)[O-])c1)C(F)F ZINC001590880899 990798914 /nfs/dbraw/zinc/79/89/14/990798914.db2.gz LUAKHJSYUVFVEG-UHFFFAOYSA-N -2 3 294.279 1.102 20 0 CDADHL COc1cc(C(=O)N[C@H]2CC[C@H]2C(=O)[O-])cc(OC)c1[O-] ZINC001599354566 998156728 /nfs/dbraw/zinc/15/67/28/998156728.db2.gz JWGYOGLMMPJAMC-BDAKNGLRSA-N -2 3 295.291 1.002 20 0 CDADHL CCc1ccc(C(=O)N[C@@H](C)/C=C\C(=O)[O-])c([O-])c1 ZINC001605804851 1163677572 /nfs/dbraw/zinc/67/75/72/1163677572.db2.gz NQUMWJZQNYAJHE-WYDVEAGSSA-N -2 3 263.293 1.714 20 0 CDADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C ZINC000136248291 361807029 /nfs/dbraw/zinc/80/70/29/361807029.db2.gz UCXSUUSORCQIIU-SECBINFHSA-N -2 3 290.341 1.069 20 0 CDADHL CC(C)(C)C[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134692573 342071237 /nfs/dbraw/zinc/07/12/37/342071237.db2.gz YMJUGODGTSETOI-UHFFFAOYSA-N -2 3 278.355 1.166 20 0 CDADHL COc1ccc([O-])c(C(=O)NCC(C)(C)C(=O)[O-])c1 ZINC000137467195 361925904 /nfs/dbraw/zinc/92/59/04/361925904.db2.gz FRRNFWDFKHZRGV-UHFFFAOYSA-N -2 3 267.281 1.241 20 0 CDADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cc(F)cc(F)c2)CC1 ZINC000138949568 362010945 /nfs/dbraw/zinc/01/09/45/362010945.db2.gz OBFLRKILPCRVOC-UHFFFAOYSA-N -2 3 291.275 1.108 20 0 CDADHL O=C([O-])[C@H]1CN(Cc2cc([O-])ccc2Cl)CCO1 ZINC000629486105 362090620 /nfs/dbraw/zinc/09/06/20/362090620.db2.gz XHTZWTPJMKGTBA-LLVKDONJSA-N -2 3 271.700 1.331 20 0 CDADHL Cc1csc(S(=O)(=O)[N-][C@@H]2C=C[C@@H](C(=O)[O-])C2)c1 ZINC000571616885 362704347 /nfs/dbraw/zinc/70/43/47/362704347.db2.gz IGYUCMQIBITCLL-RKDXNWHRSA-N -2 3 287.362 1.364 20 0 CDADHL C[C@@H](CN(C)C(=O)c1cc([O-])ccc1Cl)c1nnn[n-]1 ZINC000293486707 370654243 /nfs/dbraw/zinc/65/42/43/370654243.db2.gz LWSNGFMVQSQRRZ-ZETCQYMHSA-N -2 3 295.730 1.434 20 0 CDADHL C[C@@H](CN(C)C(=O)c1cc([O-])ccc1Cl)c1nn[n-]n1 ZINC000293486707 370654246 /nfs/dbraw/zinc/65/42/46/370654246.db2.gz LWSNGFMVQSQRRZ-ZETCQYMHSA-N -2 3 295.730 1.434 20 0 CDADHL CCC[C@@H](NC(=O)c1ccccc1[O-])c1nnn[n-]1 ZINC000092424822 180383169 /nfs/dbraw/zinc/38/31/69/180383169.db2.gz UWAWFANETDXKNF-SECBINFHSA-N -2 3 261.285 1.177 20 0 CDADHL CCC[C@@H](NC(=O)c1ccccc1[O-])c1nn[n-]n1 ZINC000092424822 180383172 /nfs/dbraw/zinc/38/31/72/180383172.db2.gz UWAWFANETDXKNF-SECBINFHSA-N -2 3 261.285 1.177 20 0 CDADHL O=C(Nc1nnc(C(F)(F)F)[n-]1)c1c([O-])cccc1F ZINC000186105638 304020005 /nfs/dbraw/zinc/02/00/05/304020005.db2.gz LYDDAFXZVWWZMK-UHFFFAOYSA-N -2 3 290.176 1.921 20 0 CDADHL O=C(Nc1nc(C(F)(F)F)n[n-]1)c1c([O-])cccc1F ZINC000186105638 304020007 /nfs/dbraw/zinc/02/00/07/304020007.db2.gz LYDDAFXZVWWZMK-UHFFFAOYSA-N -2 3 290.176 1.921 20 0 CDADHL O=C(Nc1n[n-]c(C(F)(F)F)n1)c1c([O-])cccc1F ZINC000186105638 304020010 /nfs/dbraw/zinc/02/00/10/304020010.db2.gz LYDDAFXZVWWZMK-UHFFFAOYSA-N -2 3 290.176 1.921 20 0 CDADHL O=C([O-])c1coc(C[N-]S(=O)(=O)c2ccoc2)c1 ZINC000556776129 290297062 /nfs/dbraw/zinc/29/70/62/290297062.db2.gz WQSUZKCYSOIFAQ-UHFFFAOYSA-N -2 3 271.250 1.049 20 0 CDADHL CO[C@@H](C)CS(=O)(=O)[N-]c1cc([O-])c(F)cc1F ZINC000414390993 363120432 /nfs/dbraw/zinc/12/04/32/363120432.db2.gz BPBUBCFPHLZMEW-LURJTMIESA-N -2 3 281.280 1.447 20 0 CDADHL Cc1cccc(CO[C@@H](C)C(=O)N=c2ccc([O-])n[n-]2)c1 ZINC000637126023 359237777 /nfs/dbraw/zinc/23/77/77/359237777.db2.gz DDPPVGCHDNTKQD-NSHDSACASA-N -2 3 287.319 1.456 20 0 CDADHL CCc1ccc([O-])c(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000263431381 359279632 /nfs/dbraw/zinc/27/96/32/359279632.db2.gz NMOMXAOLGLJLJG-LLVKDONJSA-N -2 3 277.320 1.891 20 0 CDADHL CC1(C)[C@H](C(=O)Nc2cc(F)ccc2[O-])[C@@H]1C(=O)[O-] ZINC000634824520 359412061 /nfs/dbraw/zinc/41/20/61/359412061.db2.gz WIUUEHUKYVVRKV-VHSXEESVSA-N -2 3 267.256 1.827 20 0 CDADHL C[C@@H](O[C@@H](C)C(=O)[O-])C(=O)Nc1cc(Cl)ccc1[O-] ZINC000421810729 359451794 /nfs/dbraw/zinc/45/17/94/359451794.db2.gz XVBUTRFEENPEOA-RQJHMYQMSA-N -2 3 287.699 1.862 20 0 CDADHL O=C([O-])COCCN=c1[n-]cc(C(F)(F)F)s1 ZINC000634964553 360556947 /nfs/dbraw/zinc/55/69/47/360556947.db2.gz CTUXZPDSYXQFGW-UHFFFAOYSA-N -2 3 270.232 1.097 20 0 CDADHL CC(=O)c1ccc(C(=O)Nc2ncccc2[O-])cc1[O-] ZINC000436852609 361590409 /nfs/dbraw/zinc/59/04/09/361590409.db2.gz AVKOCZMXLXZWIX-UHFFFAOYSA-N -2 3 272.260 1.948 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)c(F)cc1F ZINC000282743933 368017658 /nfs/dbraw/zinc/01/76/58/368017658.db2.gz FSYAHLJIAIMJSE-UHFFFAOYSA-N -2 3 291.275 1.169 20 0 CDADHL O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccc(F)cc1[O-] ZINC000123434225 368119054 /nfs/dbraw/zinc/11/90/54/368119054.db2.gz DFIGRPPUGZDGQF-UHFFFAOYSA-N -2 3 299.265 1.964 20 0 CDADHL O=C(Nc1nc(-c2ccccn2)n[n-]1)c1ccc(F)cc1[O-] ZINC000123434225 368119055 /nfs/dbraw/zinc/11/90/55/368119055.db2.gz DFIGRPPUGZDGQF-UHFFFAOYSA-N -2 3 299.265 1.964 20 0 CDADHL O=C(Nc1n[n-]c(-c2ccccn2)n1)c1ccc(F)cc1[O-] ZINC000123434225 368119057 /nfs/dbraw/zinc/11/90/57/368119057.db2.gz DFIGRPPUGZDGQF-UHFFFAOYSA-N -2 3 299.265 1.964 20 0 CDADHL O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(F)cc1[O-] ZINC000123347466 368069203 /nfs/dbraw/zinc/06/92/03/368069203.db2.gz IZSAVKMNMOBHOI-UHFFFAOYSA-N -2 3 290.176 1.921 20 0 CDADHL O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(F)cc1[O-] ZINC000123347466 368069204 /nfs/dbraw/zinc/06/92/04/368069204.db2.gz IZSAVKMNMOBHOI-UHFFFAOYSA-N -2 3 290.176 1.921 20 0 CDADHL O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(F)cc1[O-] ZINC000123347466 368069205 /nfs/dbraw/zinc/06/92/05/368069205.db2.gz IZSAVKMNMOBHOI-UHFFFAOYSA-N -2 3 290.176 1.921 20 0 CDADHL O=C(N=c1ccc([O-])n[n-]1)[C@H]1CCCN1c1ccccc1 ZINC000370527601 370081822 /nfs/dbraw/zinc/08/18/22/370081822.db2.gz JYDLICMXICGVOX-GFCCVEGCSA-N -2 3 284.319 1.212 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC23CCCCC3)o1 ZINC000386987746 373457530 /nfs/dbraw/zinc/45/75/30/373457530.db2.gz JPNJEOXWIWKKHL-JTQLQIEISA-N -2 3 299.348 1.979 20 0 CDADHL C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000036965464 374573144 /nfs/dbraw/zinc/57/31/44/374573144.db2.gz HXMMCVCMUSGCKV-YFKPBYRVSA-N -2 3 281.692 1.231 20 0 CDADHL Cc1cccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)c1F ZINC000262411698 131219648 /nfs/dbraw/zinc/21/96/48/131219648.db2.gz LNLFJFVHRXWPPJ-LLVKDONJSA-N -2 3 289.328 1.522 20 0 CDADHL CC(C)(C)c1n[n-]cc1C(=O)N=c1nc2ccccn2[n-]1 ZINC000649258701 393223721 /nfs/dbraw/zinc/22/37/21/393223721.db2.gz NRQDLMMXXMJKAX-UHFFFAOYSA-N -2 3 284.323 1.424 20 0 CDADHL CN=c1[n-]nc(CC(=O)Nc2ccc(Cl)cc2[O-])s1 ZINC000353868704 156134682 /nfs/dbraw/zinc/13/46/82/156134682.db2.gz FMPRNSZCZXCURY-UHFFFAOYSA-N -2 3 298.755 1.542 20 0 CDADHL O=C(Cc1ccc2c(c1)CCCC2)N=c1ccc([O-])n[n-]1 ZINC000361970426 159026968 /nfs/dbraw/zinc/02/69/68/159026968.db2.gz XFDSUVZBUXUGFD-UHFFFAOYSA-N -2 3 283.331 1.664 20 0 CDADHL CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000037326218 173127160 /nfs/dbraw/zinc/12/71/60/173127160.db2.gz AVXAWCNFZRWZJT-SNVBAGLBSA-N -2 3 293.291 1.352 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCC[C@H]2C)oc1C(=O)[O-] ZINC000663422126 414245907 /nfs/dbraw/zinc/24/59/07/414245907.db2.gz HUKWNVFBCKETFD-APPZFPTMSA-N -2 3 287.337 1.753 20 0 CDADHL COc1ccc([O-])c(C(=O)N(CC(=O)[O-])C2CCC2)c1 ZINC000655588385 424115035 /nfs/dbraw/zinc/11/50/35/424115035.db2.gz FYVJCFKTRMWONM-UHFFFAOYSA-N -2 3 279.292 1.480 20 0 CDADHL Cc1csc(S(=O)(=O)[N-][C@H]2C=C[C@H](C(=O)[O-])C2)c1 ZINC000571616884 294469885 /nfs/dbraw/zinc/46/98/85/294469885.db2.gz IGYUCMQIBITCLL-IUCAKERBSA-N -2 3 287.362 1.364 20 0 CDADHL CCc1cc(C(=O)NCCc2c(C)[n-][nH]c2=O)ccc1[O-] ZINC000584344254 328128546 /nfs/dbraw/zinc/12/85/46/328128546.db2.gz FPMQMXXCESVMPB-GFCCVEGCSA-N -2 3 289.335 1.196 20 0 CDADHL CCc1ncc(S(=O)(=O)[N-]C[C@H](CC)C(=O)[O-])s1 ZINC000681573172 482914059 /nfs/dbraw/zinc/91/40/59/482914059.db2.gz ZGQVBRORQVYPCO-ZETCQYMHSA-N -2 3 292.382 1.095 20 0 CDADHL O=C([O-])[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccccc2F)C1 ZINC000097063667 482957204 /nfs/dbraw/zinc/95/72/04/482957204.db2.gz CVCRVDOKUZAQHU-DTWKUNHWSA-N -2 3 287.312 1.357 20 0 CDADHL O=C([N-]c1nc2ccccn2n1)c1c(F)ccc([O-])c1F ZINC000685456769 483130609 /nfs/dbraw/zinc/13/06/09/483130609.db2.gz HUKNYBNIJGVYAH-UHFFFAOYSA-N -2 3 290.229 1.965 20 0 CDADHL CN(C(=O)c1ccc(O)cc1[O-])C(C)(C)C(=O)[O-] ZINC000061149901 523936486 /nfs/dbraw/zinc/93/64/86/523936486.db2.gz BIOQIFSCVVHYAC-UHFFFAOYSA-N -2 3 253.254 1.033 20 0 CDADHL O=C([O-])N1CCC[C@@H]([N-]S(=O)(=O)c2cccs2)C1 ZINC000739928404 574509383 /nfs/dbraw/zinc/50/93/83/574509383.db2.gz XEEHTSSNYQUYCJ-MRVPVSSYSA-N -2 3 290.366 1.169 20 0 CDADHL O=C([O-])NC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000739929015 574509465 /nfs/dbraw/zinc/50/94/65/574509465.db2.gz VABDCNACWJOUNI-UHFFFAOYSA-N -2 3 264.281 1.264 20 0 CDADHL CCC[C@@H](NC(=O)c1c([O-])cccc1Cl)c1nnn[n-]1 ZINC000769957788 575403125 /nfs/dbraw/zinc/40/31/25/575403125.db2.gz KCTZCOQVXGHYAM-MRVPVSSYSA-N -2 3 295.730 1.830 20 0 CDADHL CCC[C@@H](NC(=O)c1c([O-])cccc1Cl)c1nn[n-]n1 ZINC000769957788 575403128 /nfs/dbraw/zinc/40/31/28/575403128.db2.gz KCTZCOQVXGHYAM-MRVPVSSYSA-N -2 3 295.730 1.830 20 0 CDADHL O=C([O-])C[N-]C(=O)C(F)(F)c1cccc(Cl)c1 ZINC000740482749 576477496 /nfs/dbraw/zinc/47/74/96/576477496.db2.gz CMJJKCHIDYBGEP-UHFFFAOYSA-N -2 3 263.627 1.633 20 0 CDADHL O=C([O-])CN1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000833249732 601431413 /nfs/dbraw/zinc/43/14/13/601431413.db2.gz KLJQWRLXCZEMLJ-GHMZBOCLSA-N -2 3 255.314 1.426 20 0 CDADHL CCc1cc(=O)[n-]c(CN(C)[C@@H](COC(C)C)C(=O)[O-])n1 ZINC000830224387 604515970 /nfs/dbraw/zinc/51/59/70/604515970.db2.gz MFOMAYJUDIWJAD-NSHDSACASA-N -2 3 297.355 1.055 20 0 CDADHL C[C@]1(C(=O)[O-])CCN(C(=O)c2c([O-])cccc2O)C1 ZINC000232429251 604773842 /nfs/dbraw/zinc/77/38/42/604773842.db2.gz HOKRYFREFJDHJJ-ZDUSSCGKSA-N -2 3 265.265 1.035 20 0 CDADHL C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2occc2C(=O)[O-])C1 ZINC000903025367 625802453 /nfs/dbraw/zinc/80/24/53/625802453.db2.gz CKVSZVMMOBZRQD-HTQZYQBOSA-N -2 3 273.310 1.445 20 0 CDADHL CCc1ncc(S(=O)(=O)[N-]C/C=C(/C)C(=O)[O-])s1 ZINC000903047290 625818548 /nfs/dbraw/zinc/81/85/48/625818548.db2.gz LAOVYLAGJDHNAP-DAXSKMNVSA-N -2 3 290.366 1.015 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@]12C[C@H]1CCC2 ZINC000903532764 626018299 /nfs/dbraw/zinc/01/82/99/626018299.db2.gz NHZMEXSSEKHDPR-RDDDGLTNSA-N -2 3 271.294 1.199 20 0 CDADHL CCCN(CC(=O)[O-])C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000908948748 628428688 /nfs/dbraw/zinc/42/86/88/628428688.db2.gz DFSLUNGONXTHOQ-UHFFFAOYSA-N -2 3 297.307 1.346 20 0 CDADHL C[C@@]1(C(=O)[O-])CCN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000909304809 628622337 /nfs/dbraw/zinc/62/23/37/628622337.db2.gz UOMHFESFFZMTAQ-CQSZACIVSA-N -2 3 281.283 1.397 20 0 CDADHL Cc1ccc(-c2cc(C(=O)O[C@H](C(=O)[O-])C3CC3)n[n-]2)o1 ZINC001607715132 1164277487 /nfs/dbraw/zinc/27/74/87/1164277487.db2.gz DFVIABBQXBAPEP-LBPRGKRZSA-N -2 3 290.275 1.998 20 0 CDADHL O=C([O-])c1coc(/C=C\C(=O)[N-]OC/C=C\Cl)c1 ZINC001608285932 1164481057 /nfs/dbraw/zinc/48/10/57/1164481057.db2.gz YCIZSQVDABYGIN-QEFWFIIXSA-N -2 3 271.656 1.791 20 0 CDADHL CC(C)(C)O[N-]C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC001609079777 1164758929 /nfs/dbraw/zinc/75/89/29/1164758929.db2.gz SIRBIAAFCIIKKE-UHFFFAOYSA-N -2 3 291.311 1.092 20 0 CDADHL CC(C)(C)O[N-]C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC001609079777 1164758948 /nfs/dbraw/zinc/75/89/48/1164758948.db2.gz SIRBIAAFCIIKKE-UHFFFAOYSA-N -2 3 291.311 1.092 20 0 CDADHL O=C([O-])CCCCCNc1ncc(-c2nnn[n-]2)cc1F ZINC001593278232 1174048012 /nfs/dbraw/zinc/04/80/12/1174048012.db2.gz VUVRZKDQZXWCSG-UHFFFAOYSA-N -2 3 294.290 1.458 20 0 CDADHL O=C([O-])CCCCCNc1ncc(-c2nn[n-]n2)cc1F ZINC001593278232 1174048019 /nfs/dbraw/zinc/04/80/19/1174048019.db2.gz VUVRZKDQZXWCSG-UHFFFAOYSA-N -2 3 294.290 1.458 20 0 CDADHL Cc1cc(=O)[n-]c(N2CCC[C@H](C(C)(C)C(=O)[O-])C2)n1 ZINC001600285580 1174437936 /nfs/dbraw/zinc/43/79/36/1174437936.db2.gz NOVCAMLCVMBHLA-JTQLQIEISA-N -2 3 279.340 1.818 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CC23CCC3)oc1C(=O)[O-] ZINC001600298572 1174440484 /nfs/dbraw/zinc/44/04/84/1174440484.db2.gz KBLGHNHEWONIOX-MRVPVSSYSA-N -2 3 285.321 1.507 20 0 CDADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@@H]2CC=CCC2)c1C(=O)[O-] ZINC001600673246 1174557821 /nfs/dbraw/zinc/55/78/21/1174557821.db2.gz CYKPULXGHGAHFT-SECBINFHSA-N -2 3 299.352 1.051 20 0 CDADHL O=C([O-])[C@@H](OC(=O)Cc1ccc([O-])c(F)c1)C1CC1 ZINC001601361494 1174846149 /nfs/dbraw/zinc/84/61/49/1174846149.db2.gz LXVCRWBBTRMWTM-LBPRGKRZSA-N -2 3 268.240 1.480 20 0 CDADHL O=C([O-])[C@@H](CC1CC1)NC(=O)c1cc2c(cc1[O-])OCO2 ZINC001601408698 1174859780 /nfs/dbraw/zinc/85/97/80/1174859780.db2.gz JTVLEYMDCAJZCT-SECBINFHSA-N -2 3 293.275 1.104 20 0 CDADHL Cc1c(C=Cc2nc(C)cc(=O)[n-]2)c(C(=O)[O-])nn1C ZINC001607698220 1164273961 /nfs/dbraw/zinc/27/39/61/1164273961.db2.gz ACDQVPRBNSTACL-PLNGDYQASA-N -2 3 274.280 1.401 20 0 CDADHL O=C([O-])CC1(NC(=O)c2cc3c(cc2[O-])OCO3)CCC1 ZINC001608685606 1164604183 /nfs/dbraw/zinc/60/41/83/1164604183.db2.gz HCHFSHKQXPGDBB-UHFFFAOYSA-N -2 3 293.275 1.248 20 0 CDADHL CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)C(=O)[O-] ZINC001609093298 1164767865 /nfs/dbraw/zinc/76/78/65/1164767865.db2.gz XDHYUCOQTVZSNP-SNVBAGLBSA-N -2 3 290.327 1.421 20 0 CDADHL CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)C(=O)[O-] ZINC001609093298 1164767871 /nfs/dbraw/zinc/76/78/71/1164767871.db2.gz XDHYUCOQTVZSNP-SNVBAGLBSA-N -2 3 290.327 1.421 20 0 CDADHL COC(=O)c1ccc(C(=O)Nc2cc(C)[nH]c2C(=O)[O-])[n-]1 ZINC001610206482 1165254090 /nfs/dbraw/zinc/25/40/90/1165254090.db2.gz CUADCDVAZVJYIF-UHFFFAOYSA-N -2 3 291.263 1.388 20 0 CDADHL Cc1ccc([O-])c(CN(C)[C@@H](COC(C)C)C(=O)[O-])n1 ZINC001610510223 1165335034 /nfs/dbraw/zinc/33/50/34/1165335034.db2.gz ZCNATURYCMNEBS-LBPRGKRZSA-N -2 3 282.340 1.406 20 0 CDADHL O=C([O-])c1ccc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000095233432 1166610578 /nfs/dbraw/zinc/61/05/78/1166610578.db2.gz UJRJBXLPJBMFRE-UHFFFAOYSA-N -2 3 256.221 1.825 20 0 CDADHL O=C([O-])c1ccc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000095233432 1166610583 /nfs/dbraw/zinc/61/05/83/1166610583.db2.gz UJRJBXLPJBMFRE-UHFFFAOYSA-N -2 3 256.221 1.825 20 0 CDADHL NC(=O)c1ccc(Nc2ccc(CC(=O)[O-])cc2)cc1[O-] ZINC001174955648 913414135 /nfs/dbraw/zinc/41/41/35/913414135.db2.gz CPDMVRJKYVRQJB-UHFFFAOYSA-N -2 3 286.287 1.862 20 0 CDADHL CC(C)(C)OC(=O)c1ccc(NC(=O)C(=O)[O-])c([O-])c1 ZINC001143420827 896566381 /nfs/dbraw/zinc/56/63/81/896566381.db2.gz MGXJUAXKTWRENT-UHFFFAOYSA-N -2 3 281.264 1.371 20 0 CDADHL C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000694187485 898164359 /nfs/dbraw/zinc/16/43/59/898164359.db2.gz BMLBUPKQNPNFCR-CBAPKCEASA-N -2 3 273.310 1.445 20 0 CDADHL O=C([O-])[C@@]1(NC(=O)c2cc([O-])ccc2Cl)CCOC1 ZINC000236434486 898372799 /nfs/dbraw/zinc/37/27/99/898372799.db2.gz ZVCWNTSOOXWBPB-GFCCVEGCSA-N -2 3 285.683 1.019 20 0 CDADHL NC(=O)c1ccc(Nc2ccc(C(=O)[O-])cc2)cc1[O-] ZINC001176713358 914246593 /nfs/dbraw/zinc/24/65/93/914246593.db2.gz FZKSPQBQJUDRCM-UHFFFAOYSA-N -2 3 272.260 1.933 20 0 CDADHL O=C([O-])c1nscc1S(=O)(=O)[N-]CCC1CCC1 ZINC000829443581 936416061 /nfs/dbraw/zinc/41/60/61/936416061.db2.gz UVDCIMIDTYBGAP-UHFFFAOYSA-N -2 3 290.366 1.310 20 0 CDADHL C[C@@H]1CCC[C@H](C(=O)NCCCCP(=O)([O-])[O-])C1 ZINC001184516489 919189957 /nfs/dbraw/zinc/18/99/57/919189957.db2.gz ULHNBBRLSMCFTA-MNOVXSKESA-N -2 3 277.301 1.887 20 0 CDADHL Cc1[n-][nH]c2ncnc(=NC(=O)c3ccc([O-])c(F)c3)c1-2 ZINC001186202885 919921505 /nfs/dbraw/zinc/92/15/05/919921505.db2.gz YZPTYDRMALXDEO-UHFFFAOYSA-N -2 3 287.254 1.132 20 0 CDADHL O=C(NCc1ncccc1[O-])c1ccc([O-])c(F)c1F ZINC001192842172 923292921 /nfs/dbraw/zinc/29/29/21/923292921.db2.gz DWCFNXQUYJMPOC-UHFFFAOYSA-N -2 3 280.230 1.701 20 0 CDADHL O=C(/C=C/c1ccccn1)NCCCCP(=O)([O-])[O-] ZINC001142299685 937002414 /nfs/dbraw/zinc/00/24/14/937002414.db2.gz YXDMDCHAQIQIAH-VOTSOKGWSA-N -2 3 284.252 1.169 20 0 CDADHL COc1nc(Cl)ccc1S(=O)(=O)[N-][C@H]1[CH]CC=C1 ZINC001198730502 925504622 /nfs/dbraw/zinc/50/46/22/925504622.db2.gz MFXCMUNAVWLYCZ-MRVPVSSYSA-N -2 3 287.748 1.555 20 0 CDADHL O=P([O-])([O-])CCNC(=S)NCC1CCCCC1 ZINC001199929499 925927167 /nfs/dbraw/zinc/92/71/67/925927167.db2.gz GNKHIGCTHYFFOC-UHFFFAOYSA-N -2 3 280.330 1.209 20 0 CDADHL O=C([N-]n1c(=O)[n-][nH]c1=O)c1ccc(F)c(Cl)c1F ZINC000816733252 930346945 /nfs/dbraw/zinc/34/69/45/930346945.db2.gz OOQLHDDTFVINRL-UHFFFAOYSA-N -2 3 290.613 1.005 20 0 CDADHL COCCO[N-]C(=O)N=c1nc(C(C)(C)C)[n-]s1 ZINC000792296851 931806713 /nfs/dbraw/zinc/80/67/13/931806713.db2.gz JIUASTBXMZGYRC-UHFFFAOYSA-N -2 3 274.346 1.535 20 0 CDADHL O=C(Nc1cccc(Cc2nnn[n-]2)c1)c1ncccc1[O-] ZINC001160949231 938847365 /nfs/dbraw/zinc/84/73/65/938847365.db2.gz UJEWQJAOFXVWTP-UHFFFAOYSA-N -2 3 296.290 1.143 20 0 CDADHL O=C(Nc1cccc(Cc2nn[n-]n2)c1)c1ncccc1[O-] ZINC001160949231 938847367 /nfs/dbraw/zinc/84/73/67/938847367.db2.gz UJEWQJAOFXVWTP-UHFFFAOYSA-N -2 3 296.290 1.143 20 0 CDADHL CCOC(=O)C[C@@H](OCCP(=O)([O-])[O-])C(F)(F)F ZINC001224608136 941775366 /nfs/dbraw/zinc/77/53/66/941775366.db2.gz ZTAWLSSZMQZVDT-ZCFIWIBFSA-N -2 3 294.162 1.065 20 0 CDADHL C[C@@H](COCc1ccccc1)OCCP(=O)([O-])[O-] ZINC001224604538 941774216 /nfs/dbraw/zinc/77/42/16/941774216.db2.gz DEWPDMDEAISXEZ-NSHDSACASA-N -2 3 274.253 1.786 20 0 CDADHL Cc1c([C@@H](C)OCCCCP(=O)([O-])[O-])cnn1C ZINC001225023103 941815782 /nfs/dbraw/zinc/81/57/82/941815782.db2.gz USAAHEVGJWDDPK-SNVBAGLBSA-N -2 3 276.273 1.764 20 0 CDADHL COc1ccccc1[C@H](C)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233934657 943693533 /nfs/dbraw/zinc/69/35/33/943693533.db2.gz NPGZVJRZKOYKGK-QMMMGPOBSA-N -2 3 286.291 1.795 20 0 CDADHL O=c1nc2cn[n-]c2c(O[C@H]2CC3CCC2CC3)[n-]1 ZINC001233938798 943695410 /nfs/dbraw/zinc/69/54/10/943695410.db2.gz FFYMCQFYWVOURQ-KTOWXAHTSA-N -2 3 260.297 1.604 20 0 CDADHL Cn1cnc(S(=O)(=O)[N-]c2cc([O-])c(F)cc2F)c1 ZINC001258998822 945459931 /nfs/dbraw/zinc/45/99/31/945459931.db2.gz MJUMTNHYBPAUOO-UHFFFAOYSA-N -2 3 289.263 1.205 20 0 CDADHL Cn1cnc(S(=O)(=O)[N-]c2cc([O-])cc(Cl)c2)c1 ZINC001258999400 945462233 /nfs/dbraw/zinc/46/22/33/945462233.db2.gz HPXOAKZMMSCCHM-UHFFFAOYSA-N -2 3 287.728 1.580 20 0 CDADHL [CH2]CC[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC001259473461 945576967 /nfs/dbraw/zinc/57/69/67/945576967.db2.gz ZFUKLFWJIUUIPU-UHFFFAOYSA-N -2 3 250.702 1.982 20 0 CDADHL O=S(=O)([N-][C@H]1[CH]CC=C1)c1cc(F)c(F)c(F)c1 ZINC001259505402 945585487 /nfs/dbraw/zinc/58/54/87/945585487.db2.gz KNVYXWLNQDLFGA-SSDOTTSWSA-N -2 3 276.259 1.915 20 0 CDADHL Cn1nc(C(=O)[O-])cc1C(=O)Nc1cc(F)ccc1[O-] ZINC001594568046 955854473 /nfs/dbraw/zinc/85/44/73/955854473.db2.gz HBKMNFUQXKMEBD-UHFFFAOYSA-N -2 3 279.227 1.215 20 0 CDADHL Cn1nc(C(=O)[O-])cc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC001594569553 955866559 /nfs/dbraw/zinc/86/65/59/955866559.db2.gz KSWSQGBPDMGFAU-UHFFFAOYSA-N -2 3 295.682 1.730 20 0 CDADHL Cc1cc(C(=O)NCc2nc(C)cc(=O)[n-]2)oc1C(=O)[O-] ZINC001571041239 960579001 /nfs/dbraw/zinc/57/90/01/960579001.db2.gz GZDAHYAIXRZLSX-UHFFFAOYSA-N -2 3 291.263 1.020 20 0 CDADHL O=C([O-])C1(C(=O)Nc2n[n-]c(-c3ccco3)n2)CCC1 ZINC001605944330 972900502 /nfs/dbraw/zinc/90/05/02/972900502.db2.gz QABNTCNFSVTGTO-UHFFFAOYSA-N -2 3 276.252 1.258 20 0 CDADHL C/C(=C/C[N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000692486203 976506063 /nfs/dbraw/zinc/50/60/63/976506063.db2.gz CYPOGCJUEUCKRI-DAXSKMNVSA-N -2 3 291.275 1.274 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H](C2CC2)C2CCC2)c1 ZINC000694175915 976676333 /nfs/dbraw/zinc/67/63/33/976676333.db2.gz VKBOQWYEZJIBLH-LBPRGKRZSA-N -2 3 299.348 1.835 20 0 CDADHL Cc1cccc([O-])c1C(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC000706612175 977356661 /nfs/dbraw/zinc/35/66/61/977356661.db2.gz YFVSRLMGKAGULB-NSHDSACASA-N -2 3 277.320 1.931 20 0 CDADHL C[C@H]1SCC[C@@H]1[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871995036 980026575 /nfs/dbraw/zinc/02/65/75/980026575.db2.gz HJELVQKMERCMFW-SVRRBLITSA-N -2 3 291.350 1.150 20 0 CDADHL CCc1ccc(C(=O)NC[C@@]2(C(=O)[O-])CCOC2)c([O-])c1 ZINC001597501215 988065964 /nfs/dbraw/zinc/06/59/64/988065964.db2.gz ZNOXIVBQUOTARX-HNNXBMFYSA-N -2 3 293.319 1.176 20 0 CDADHL CCc1ccc(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)c([O-])c1 ZINC001597503314 988071552 /nfs/dbraw/zinc/07/15/52/988071552.db2.gz PLJDENQHTIDLKD-GDLVEWKHSA-N -2 3 289.331 1.938 20 0 CDADHL CSc1ccc([O-])c(C(=O)N[C@H](CF)C(=O)[O-])c1 ZINC001599820179 988498908 /nfs/dbraw/zinc/49/89/08/988498908.db2.gz QOLVEGWENNRPGE-MRVPVSSYSA-N -2 3 273.285 1.267 20 0 CDADHL CC(C)(CC(=O)[O-])CC(=O)NCc1ncccc1[O-] ZINC001590635595 990324285 /nfs/dbraw/zinc/32/42/85/990324285.db2.gz ZRORALMRUYTPJT-UHFFFAOYSA-N -2 3 266.297 1.294 20 0 CDADHL COC[C@](C)(NCc1ccc(C(=O)[O-])cc1F)C(=O)[O-] ZINC001599153659 998331937 /nfs/dbraw/zinc/33/19/37/998331937.db2.gz JDJGITDBZJCTMX-ZDUSSCGKSA-N -2 3 285.271 1.103 20 0 CDADHL CCCN(C(=O)c1ccc(O)cc1[O-])[C@@H](C)C(=O)[O-] ZINC001573747784 1170754546 /nfs/dbraw/zinc/75/45/46/1170754546.db2.gz BYSTVRLSSQLDDH-QMMMGPOBSA-N -2 3 267.281 1.423 20 0 CDADHL O=S(=O)(C[C@@H]1CCCCO1)[N-]c1cccc([O-])c1F ZINC000131549521 342234675 /nfs/dbraw/zinc/23/46/75/342234675.db2.gz GTMWAMLIQLZRMN-VIFPVBQESA-N -2 3 289.328 1.842 20 0 CDADHL COC(=O)c1[n-]c(=NCC2(C(=O)[O-])CCC2)sc1C ZINC000595972005 343200566 /nfs/dbraw/zinc/20/05/66/343200566.db2.gz ZUUORHSQBWFWRM-UHFFFAOYSA-N -2 3 284.337 1.327 20 0 CDADHL CCC(CC)(NC(=O)c1ccc(OC)cc1[O-])C(=O)[O-] ZINC000094239650 346029014 /nfs/dbraw/zinc/02/90/14/346029014.db2.gz CCJRQZCSNBZGNF-UHFFFAOYSA-N -2 3 281.308 1.774 20 0 CDADHL Cc1ccc([O-])c(C(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])c1 ZINC000085321359 179014907 /nfs/dbraw/zinc/01/49/07/179014907.db2.gz JUXCFWGIFNHIHL-MWLCHTKSSA-N -2 3 263.293 1.684 20 0 CDADHL C[C@H]1CCN(C(=O)c2cc(=O)n(C)[n-]2)c2c([O-])cccc21 ZINC000613575889 347787771 /nfs/dbraw/zinc/78/77/71/347787771.db2.gz FXRBKSTXVXHTFN-VIFPVBQESA-N -2 3 287.319 1.985 20 0 CDADHL CCc1cccc(C(=O)N(C)Cc2n[n-]c(=O)o2)c1[O-] ZINC000622117327 351016140 /nfs/dbraw/zinc/01/61/40/351016140.db2.gz ZZNIZDADMMTIQL-UHFFFAOYSA-N -2 3 277.280 1.315 20 0 CDADHL O=C(NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1[O-] ZINC000194734497 363050816 /nfs/dbraw/zinc/05/08/16/363050816.db2.gz NYPFTNYSPRSZPC-UHFFFAOYSA-N -2 3 295.302 1.502 20 0 CDADHL COC[C@H](C)S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1F ZINC000399706133 356015663 /nfs/dbraw/zinc/01/56/63/356015663.db2.gz VRNNIFVAHJNYDK-ZETCQYMHSA-N -2 3 291.300 1.301 20 0 CDADHL CCCc1[n-]n(-c2nnc(C)c(=O)[n-]2)c(=O)c1CC ZINC000634586223 356465328 /nfs/dbraw/zinc/46/53/28/356465328.db2.gz FMHGSWGFZAWYMA-MRVPVSSYSA-N -2 3 263.301 1.415 20 0 CDADHL CCc1[n-]n(-c2cn[n-]c(=O)c2Cl)c(=O)c1C ZINC000634587556 356468540 /nfs/dbraw/zinc/46/85/40/356468540.db2.gz RGHIMBAQCLGWKA-RXMQYKEDSA-N -2 3 254.677 1.584 20 0 CDADHL CC[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000035085681 356827063 /nfs/dbraw/zinc/82/70/63/356827063.db2.gz QKPZJLSCJYCQNL-VIFPVBQESA-N -2 3 279.264 1.106 20 0 CDADHL COc1ccc(C(=O)N(CC(=O)[O-])C(C)C)c([O-])c1 ZINC000037993477 356951341 /nfs/dbraw/zinc/95/13/41/356951341.db2.gz AXYJFWRHZHNIOP-UHFFFAOYSA-N -2 3 267.281 1.336 20 0 CDADHL CC[C@H](C[N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000083602818 538851048 /nfs/dbraw/zinc/85/10/48/538851048.db2.gz KGWAJPCJJHPULK-SSDOTTSWSA-N -2 3 263.340 1.137 20 0 CDADHL O=C([O-])CN(C(=O)c1ccc2n[n-]nc2c1)C1CCCC1 ZINC000037586450 369192629 /nfs/dbraw/zinc/19/26/29/369192629.db2.gz CGYLFHSJXJFRRV-UHFFFAOYSA-N -2 3 288.307 1.427 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CC[C@@H](C)[C@@H](C(=O)[O-])C2)n1 ZINC000567856065 371173304 /nfs/dbraw/zinc/17/33/04/371173304.db2.gz BFGKKZTXPQWBNF-KOLCDFICSA-N -2 3 279.340 1.287 20 0 CDADHL Cc1noc(C)c1S(=O)(=O)[N-]CCC[C@@H](C)C(=O)[O-] ZINC000229517003 373199618 /nfs/dbraw/zinc/19/96/18/373199618.db2.gz OQFQDRBOQQPIRN-SSDOTTSWSA-N -2 3 290.341 1.071 20 0 CDADHL CO[C@H](C)CS(=O)(=O)[N-]c1c([O-])cccc1Cl ZINC000647918889 391305729 /nfs/dbraw/zinc/30/57/29/391305729.db2.gz AQVWQAVKKZGRBQ-SSDOTTSWSA-N -2 3 279.745 1.822 20 0 CDADHL C[C@H]1SCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000646060229 391957955 /nfs/dbraw/zinc/95/79/55/391957955.db2.gz HWVXAOUYVSVRJL-SVRRBLITSA-N -2 3 291.350 1.150 20 0 CDADHL O=C([O-])c1nscc1S(=O)(=O)[N-]CCCC1CC1 ZINC000656179424 413076322 /nfs/dbraw/zinc/07/63/22/413076322.db2.gz KSBVENZNLAKBHB-UHFFFAOYSA-N -2 3 290.366 1.310 20 0 CDADHL C[C@]1(C(=O)[O-])CCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000263221543 149123719 /nfs/dbraw/zinc/12/37/19/149123719.db2.gz KSRZXPQQNJENDL-AWEZNQCLSA-N -2 3 296.298 1.538 20 0 CDADHL Cc1noc([C@@H](C)[N-]S(=O)(=O)c2ccccc2[O-])n1 ZINC000656892178 413777423 /nfs/dbraw/zinc/77/74/23/413777423.db2.gz ZEPLNFXGPNTCEX-SSDOTTSWSA-N -2 3 283.309 1.123 20 0 CDADHL COc1ccc([O-])c(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000037436596 173207688 /nfs/dbraw/zinc/20/76/88/173207688.db2.gz WGONVLQTYGXVOF-SECBINFHSA-N -2 3 279.292 1.338 20 0 CDADHL CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000663418575 414239985 /nfs/dbraw/zinc/23/99/85/414239985.db2.gz HSCIYBGHTSOEAV-APPZFPTMSA-N -2 3 289.353 1.999 20 0 CDADHL Cc1cc(C(=O)[N-]c2nc(CC(=O)[O-])cs2)on1 ZINC000044316691 175162513 /nfs/dbraw/zinc/16/25/13/175162513.db2.gz NZIWMNYICBBRPQ-UHFFFAOYSA-N -2 3 267.266 1.319 20 0 CDADHL Cc1cc(=O)[n-]c([C@H](C)N2CCSC[C@@H]2CC(=O)[O-])n1 ZINC000569128988 294164947 /nfs/dbraw/zinc/16/49/47/294164947.db2.gz FZOZEZCUOAWBEB-UWVGGRQHSA-N -2 3 297.380 1.444 20 0 CDADHL Cc1nn(C)cc1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000572982735 294730404 /nfs/dbraw/zinc/73/04/04/294730404.db2.gz OOMQDKPAJUSIFN-UHFFFAOYSA-N -2 3 285.300 1.374 20 0 CDADHL Cc1ccc(C(=O)N([C@H](C)C(=O)[O-])C2CC2)c([O-])c1 ZINC000262693130 301495346 /nfs/dbraw/zinc/49/53/46/301495346.db2.gz COPNKUZBLKBHOY-SECBINFHSA-N -2 3 263.293 1.778 20 0 CDADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C)cs1)C(=O)[O-] ZINC000575144603 316968002 /nfs/dbraw/zinc/96/80/02/316968002.db2.gz UJHZCKWJEBJQGC-SSDOTTSWSA-N -2 3 263.340 1.198 20 0 CDADHL Cc1ccc(NC(=O)[C@@H](C(=O)[O-])C(C)C)c([O-])c1 ZINC000577751390 317398243 /nfs/dbraw/zinc/39/82/43/317398243.db2.gz BUWJQKJGXNMVFG-NSHDSACASA-N -2 3 251.282 1.996 20 0 CDADHL CO[C@@H](C)CS(=O)(=O)[N-]c1cccc(C)c1[O-] ZINC000193332974 482315378 /nfs/dbraw/zinc/31/53/78/482315378.db2.gz XXEMUIIKCJUIKN-VIFPVBQESA-N -2 3 259.327 1.477 20 0 CDADHL Cc1ccc(C(=O)NC[C@H](C(=O)[O-])C(C)C)c([O-])c1 ZINC000087477812 482857027 /nfs/dbraw/zinc/85/70/27/482857027.db2.gz KUASDBBNLBOFKL-NSHDSACASA-N -2 3 265.309 1.787 20 0 CDADHL CCn1c(=O)[n-]nc1SCc1cc(C(=O)[O-])co1 ZINC000061593647 523092540 /nfs/dbraw/zinc/09/25/40/523092540.db2.gz NFLAYAHDNSJNJZ-UHFFFAOYSA-N -2 3 269.282 1.175 20 0 CDADHL Cc1ccc(NC(=O)c2c[n-]n3c2nccc3=O)c([O-])c1 ZINC000339234843 525256191 /nfs/dbraw/zinc/25/61/91/525256191.db2.gz TWMLOAUBPIFZHH-UHFFFAOYSA-N -2 3 284.275 1.289 20 0 CDADHL Cc1ccc(C(=O)N(CC(=O)[O-])CC(C)C)c([O-])c1 ZINC000062742062 526069319 /nfs/dbraw/zinc/06/93/19/526069319.db2.gz XNOGZCDJJDIXDO-UHFFFAOYSA-N -2 3 265.309 1.883 20 0 CDADHL Cc1nn(C)c(C)c1-c1cc(C(=O)O[C@H](C)C(=O)[O-])n[n-]1 ZINC000738374846 574522848 /nfs/dbraw/zinc/52/28/48/574522848.db2.gz CMEAFCVNSIWOLZ-MRVPVSSYSA-N -2 3 292.295 1.057 20 0 CDADHL CCc1ccc([O-])c(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000737267443 575930532 /nfs/dbraw/zinc/93/05/32/575930532.db2.gz XZNZDNBOSPBEFX-NSHDSACASA-N -2 3 292.335 1.827 20 0 CDADHL Cc1ccc(-c2cc(C(=O)OCCCC(=O)[O-])[n-]n2)o1 ZINC000738248004 576053192 /nfs/dbraw/zinc/05/31/92/576053192.db2.gz BSXPHHZIMJNXDH-UHFFFAOYSA-N -2 3 278.264 2.000 20 0 CDADHL Cc1ccc(-c2cc(C(=O)OCCCC(=O)[O-])n[n-]2)o1 ZINC000738248004 576053193 /nfs/dbraw/zinc/05/31/93/576053193.db2.gz BSXPHHZIMJNXDH-UHFFFAOYSA-N -2 3 278.264 2.000 20 0 CDADHL O=C([O-])CCc1nnc([N-]C(=O)c2ccncc2F)s1 ZINC000739781143 576293186 /nfs/dbraw/zinc/29/31/86/576293186.db2.gz GSTBLSLPQOIWLQ-UHFFFAOYSA-N -2 3 296.283 1.342 20 0 CDADHL Nc1ccc(C(=O)Nc2cccc(CC(=O)[O-])c2)c([O-])c1 ZINC000763041910 576702849 /nfs/dbraw/zinc/70/28/49/576702849.db2.gz WIJUXWYVQJMABN-UHFFFAOYSA-N -2 3 286.287 1.854 20 0 CDADHL CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(OC)cc1[O-] ZINC000828637990 601134369 /nfs/dbraw/zinc/13/43/69/601134369.db2.gz BYMSEBXDDDTACR-CQSZACIVSA-N -2 3 281.308 1.774 20 0 CDADHL COc1ccc(C(=O)NCc2ccc(C(=O)[O-])o2)c([O-])c1 ZINC000094554134 600478670 /nfs/dbraw/zinc/47/86/70/600478670.db2.gz WOOGBGAKBWFZTI-UHFFFAOYSA-N -2 3 291.259 1.622 20 0 CDADHL CSc1nc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)n[n-]1 ZINC000832798804 600917246 /nfs/dbraw/zinc/91/72/46/600917246.db2.gz MLPLGCJMPVWFQM-RNFRBKRXSA-N -2 3 284.341 1.356 20 0 CDADHL O=C(NCCCc1c[n-][nH]c1=O)c1cccc(Cl)c1[O-] ZINC000898736370 621856639 /nfs/dbraw/zinc/85/66/39/621856639.db2.gz CJXSWRIATRZLGN-QMMMGPOBSA-N -2 3 295.726 1.287 20 0 CDADHL O=C([O-])C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccco2)C1 ZINC000903560804 626019450 /nfs/dbraw/zinc/01/94/50/626019450.db2.gz JHVWRXSAJLMCPY-BDAKNGLRSA-N -2 3 273.310 1.201 20 0 CDADHL CC[C@H](C)N(CC(=O)[O-])C(=O)NCc1ccc([O-])c(F)c1 ZINC000909047168 628489693 /nfs/dbraw/zinc/48/96/93/628489693.db2.gz FYRCDZDPOIOLGH-VIFPVBQESA-N -2 3 298.314 1.926 20 0 CDADHL CC(C)N(CC(=O)[O-])C(=O)NCc1ccc([O-])c(F)c1 ZINC000909048919 628490996 /nfs/dbraw/zinc/49/09/96/628490996.db2.gz PBYSSPHPRVATDS-UHFFFAOYSA-N -2 3 284.287 1.536 20 0 CDADHL O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000909716185 628632760 /nfs/dbraw/zinc/63/27/60/628632760.db2.gz YTWSGCQFMNUIEY-KOLCDFICSA-N -2 3 281.283 1.443 20 0 CDADHL O=C([O-])c1cccc(CC(=O)[N-]OC[C@H]2CCOC2)c1 ZINC000911802794 629532142 /nfs/dbraw/zinc/53/21/42/629532142.db2.gz JTZWUYAWTXPBTM-NSHDSACASA-N -2 3 279.292 1.012 20 0 CDADHL Cc1ccc(-c2cc(C(=O)OC3CC(C(=O)[O-])C3)n[n-]2)o1 ZINC001607715277 1164277696 /nfs/dbraw/zinc/27/76/96/1164277696.db2.gz JVBAFKZKTYUGAL-UHFFFAOYSA-N -2 3 290.275 1.998 20 0 CDADHL Cc1nc(C=Cc2ccc(F)nc2)[n-]c(=O)c1CC(=O)[O-] ZINC000794713307 1164575203 /nfs/dbraw/zinc/57/52/03/1164575203.db2.gz MSEXFGPIBVTHHH-HWKANZROSA-N -2 3 289.266 1.822 20 0 CDADHL O=C([O-])c1ccc(C[N-]c2nnc([C@@H]3CCCO3)o2)nc1 ZINC001608888928 1164676995 /nfs/dbraw/zinc/67/69/95/1164676995.db2.gz ZUCSHEQXQGDDTI-JTQLQIEISA-N -2 3 290.279 1.626 20 0 CDADHL O=C([O-])c1cncc(NC(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC001610699650 1165409949 /nfs/dbraw/zinc/40/99/49/1165409949.db2.gz GQQZXUGPXIOTDR-SNVBAGLBSA-N -2 3 281.268 1.360 20 0 CDADHL CC[C@@H](CNc1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC001590445671 1173410354 /nfs/dbraw/zinc/41/03/54/1173410354.db2.gz HZOIAWZAJGLMCN-QMMMGPOBSA-N -2 3 261.285 1.389 20 0 CDADHL O=C([O-])CCCOc1cc(Cl)ccc1-c1nnn[n-]1 ZINC001593278197 1174048528 /nfs/dbraw/zinc/04/85/28/1174048528.db2.gz UWPHHDVISDVKSZ-UHFFFAOYSA-N -2 3 282.687 1.764 20 0 CDADHL O=C([O-])CCCOc1cc(Cl)ccc1-c1nn[n-]n1 ZINC001593278197 1174048533 /nfs/dbraw/zinc/04/85/33/1174048533.db2.gz UWPHHDVISDVKSZ-UHFFFAOYSA-N -2 3 282.687 1.764 20 0 CDADHL O=c1cc(-c2cccc(-c3nn[n-]n3)c2)[n-]n1C1CCC1 ZINC001593384155 1174073667 /nfs/dbraw/zinc/07/36/67/1174073667.db2.gz LOUXXFBBOAOEJH-UHFFFAOYSA-N -2 3 282.307 1.356 20 0 CDADHL CN(CC(=O)[O-])c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000095293981 1174523872 /nfs/dbraw/zinc/52/38/72/1174523872.db2.gz WGBGJIBELRUPKV-UHFFFAOYSA-N -2 3 267.676 1.041 20 0 CDADHL CN(CC(=O)[O-])c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000095293981 1174523877 /nfs/dbraw/zinc/52/38/77/1174523877.db2.gz WGBGJIBELRUPKV-UHFFFAOYSA-N -2 3 267.676 1.041 20 0 CDADHL Cc1nc(N[C@H](C)c2ncc(C(=O)[O-])s2)cc(=O)[n-]1 ZINC001600718333 1174579851 /nfs/dbraw/zinc/57/98/51/1174579851.db2.gz NHYQVFGEXNFVKF-RXMQYKEDSA-N -2 3 280.309 1.818 20 0 CDADHL Cn1ncc2c1nc(SCCCC(=O)[O-])[n-]c2=O ZINC001601029632 1174709141 /nfs/dbraw/zinc/70/91/41/1174709141.db2.gz JZDUTAIFQPPUHO-UHFFFAOYSA-N -2 3 268.298 1.026 20 0 CDADHL O=C([O-])[C@@H](CNC(=O)c1cn[n-]n1)C1CCCCCC1 ZINC001601452991 1174874297 /nfs/dbraw/zinc/87/42/97/1174874297.db2.gz DSIYCQAFEMBCBU-JTQLQIEISA-N -2 3 280.328 1.206 20 0 CDADHL O=C([O-])[C@@H](F)C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC001602170539 1175150013 /nfs/dbraw/zinc/15/00/13/1175150013.db2.gz BQHWKEZVRZHZHR-QMMMGPOBSA-N -2 3 299.682 1.180 20 0 CDADHL O=C([O-])c1ccc2c(c1)CCN(c1cc(=O)[n-]cn1)C2 ZINC001602418303 1175235211 /nfs/dbraw/zinc/23/52/11/1175235211.db2.gz PEIYTRUPHDCHQQ-UHFFFAOYSA-N -2 3 271.276 1.443 20 0 CDADHL O=C([O-])c1cncc(C(=O)Nc2n[n-]c(-c3ccco3)n2)c1 ZINC001602537029 1175278336 /nfs/dbraw/zinc/27/83/36/1175278336.db2.gz UXCWXJVWZKJOHD-UHFFFAOYSA-N -2 3 299.246 1.410 20 0 CDADHL O=C([O-])c1cncc(N2Cc3nc(C4CC4)[n-]c(=O)c3C2)n1 ZINC001602540603 1175282247 /nfs/dbraw/zinc/28/22/47/1175282247.db2.gz GXJSESZGTVOGRC-UHFFFAOYSA-N -2 3 299.290 1.068 20 0 CDADHL O=C([O-])c1coc(CN2CCC[C@H](C(=O)[O-])C2)c1 ZINC001608988728 1167936891 /nfs/dbraw/zinc/93/68/91/1167936891.db2.gz XFJPXWLRLGFIBP-QMMMGPOBSA-N -2 3 253.254 1.274 20 0 CDADHL O=C(/C=C/c1nccs1)NCCCCP(=O)([O-])[O-] ZINC001177526390 914748697 /nfs/dbraw/zinc/74/86/97/914748697.db2.gz NMCKIBCXUDTZQE-ONEGZZNKSA-N -2 3 290.281 1.230 20 0 CDADHL COc1ccc([C@@H](C)Oc2nc(=O)[n-]c(=O)[n-]2)cc1 ZINC001227570086 906376239 /nfs/dbraw/zinc/37/62/39/906376239.db2.gz IHTQVNCQAJAYBM-SSDOTTSWSA-N -2 3 263.253 1.431 20 0 CDADHL O=C([O-])C(F)(F)C(F)(F)C(=O)[N-][C@@H]1CC12CCC2 ZINC001180176655 916174247 /nfs/dbraw/zinc/17/42/47/916174247.db2.gz JZQFLWQVGKXJDS-RXMQYKEDSA-N -2 3 269.194 1.400 20 0 CDADHL COC[C@H](C)OC[C@H](C)OCCCCP(=O)([O-])[O-] ZINC001225019650 941815486 /nfs/dbraw/zinc/81/54/86/941815486.db2.gz ZKTZMMQLTZXOHE-QWRGUYRKSA-N -2 3 284.289 1.401 20 0 CDADHL [CH2]CC[N-]S(=O)(=O)c1cccc(Br)n1 ZINC001196330858 924873450 /nfs/dbraw/zinc/87/34/50/924873450.db2.gz GLWVPLJBBOVFTG-UHFFFAOYSA-N -2 3 278.151 1.347 20 0 CDADHL Cc1cc(=O)n(-c2ccc(NCc3ncccc3[O-])nn2)[n-]1 ZINC001169731398 928392215 /nfs/dbraw/zinc/39/22/15/928392215.db2.gz DAHCETFBLJKGNB-UHFFFAOYSA-N -2 3 298.306 1.302 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1cc(F)ncc1F ZINC001146974117 932382320 /nfs/dbraw/zinc/38/23/20/932382320.db2.gz SJGVUAFLEQFBSD-UHFFFAOYSA-N -2 3 294.194 1.048 20 0 CDADHL O=C(Nc1cc(F)c([O-])cc1Cl)c1cnncc1[O-] ZINC001157899247 938558823 /nfs/dbraw/zinc/55/88/23/938558823.db2.gz DIRMUWSIYFSKQG-UHFFFAOYSA-N -2 3 283.646 1.933 20 0 CDADHL NC(=O)c1ccc(Nc2ccccc2C(=O)[O-])cc1[O-] ZINC001210968290 940723946 /nfs/dbraw/zinc/72/39/46/940723946.db2.gz DOUHHPKIEYSJIU-UHFFFAOYSA-N -2 3 272.260 1.933 20 0 CDADHL O=P([O-])([O-])CCOC[C@H]1COc2ccccc2O1 ZINC001224603672 941774370 /nfs/dbraw/zinc/77/43/70/941774370.db2.gz AYBXYUDBMPCHGB-VIFPVBQESA-N -2 3 274.209 1.021 20 0 CDADHL CCOC(=O)[C@H]1C[C@@H](Oc2nc3ncnc-3c([S-])[n-]2)C1 ZINC001226785774 942069919 /nfs/dbraw/zinc/06/99/19/942069919.db2.gz OOYXRIUMZZPAGR-KNVOCYPGSA-N -2 3 294.336 1.362 20 0 CDADHL Cc1cccc(C(=O)Nc2cc(C(=O)[O-])n[nH]2)c1[O-] ZINC000080670294 949012593 /nfs/dbraw/zinc/01/25/93/949012593.db2.gz RSQCYRQMVCBZPZ-UHFFFAOYSA-N -2 3 261.237 1.374 20 0 CDADHL CCN(C(=O)c1cc2c(cc1[O-])OCO2)[C@H](C)C(=O)[O-] ZINC001589705587 950278615 /nfs/dbraw/zinc/27/86/15/950278615.db2.gz KGRIXTUBAFOOFJ-SSDOTTSWSA-N -2 3 281.264 1.056 20 0 CDADHL CCCc1nc(C)c(C(=O)NCc2nc([O-])cc(=O)[n-]2)o1 ZINC001364204148 954322239 /nfs/dbraw/zinc/32/22/39/954322239.db2.gz JQCYLZNIZCRQMT-UHFFFAOYSA-N -2 3 292.295 1.067 20 0 CDADHL C[C@]1(C(=O)[O-])CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000126022987 958576907 /nfs/dbraw/zinc/57/69/07/958576907.db2.gz PXKUVVNDPAYVSD-AWEZNQCLSA-N -2 3 279.292 1.425 20 0 CDADHL Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@H](C(=O)[O-])C(C)(C)C)C2 ZINC001594460366 959450164 /nfs/dbraw/zinc/45/01/64/959450164.db2.gz KTFNZQICASFTTH-SNVBAGLBSA-N -2 3 293.323 1.080 20 0 CDADHL CC(C)C[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)C(=O)[O-] ZINC001571051973 960685011 /nfs/dbraw/zinc/68/50/11/960685011.db2.gz ARCVERCYYXCWLT-JTQLQIEISA-N -2 3 294.286 1.326 20 0 CDADHL Cc1ccc([O-])c(C(=O)Nc2c[nH]nc2C(=O)[O-])c1 ZINC001574375255 961090793 /nfs/dbraw/zinc/09/07/93/961090793.db2.gz OEBLXROJFRBFNT-UHFFFAOYSA-N -2 3 261.237 1.374 20 0 CDADHL CC(C)[C@@H](C(=O)[O-])C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001588809144 961506657 /nfs/dbraw/zinc/50/66/57/961506657.db2.gz BVRULNOHKSPWCC-SNVBAGLBSA-N -2 3 289.295 1.162 20 0 CDADHL CCc1ccc(C(=O)N(CCOC)CC(=O)[O-])c([O-])c1 ZINC001610060174 970649973 /nfs/dbraw/zinc/64/99/73/970649973.db2.gz FZRFKEPUCBKCTF-UHFFFAOYSA-N -2 3 281.308 1.128 20 0 CDADHL O=C([O-])[C@@H](CNC(=O)c1c([O-])cccc1O)CC1CC1 ZINC000405667382 973902276 /nfs/dbraw/zinc/90/22/76/973902276.db2.gz JJKUSYUSPJKWJQ-SECBINFHSA-N -2 3 279.292 1.329 20 0 CDADHL Cc1cc(=O)[n-]c(CSCC(C)(C)C(=O)[O-])n1 ZINC000700274713 976941056 /nfs/dbraw/zinc/94/10/56/976941056.db2.gz VRLUDVIZODUREI-UHFFFAOYSA-N -2 3 256.327 1.835 20 0 CDADHL CC[C@H](C(=O)[O-])C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC001594764088 981704760 /nfs/dbraw/zinc/70/47/60/981704760.db2.gz JQTFWTFWRUIQOI-SECBINFHSA-N -2 3 280.280 1.214 20 0 CDADHL CC(=O)c1ccc(C(=O)NC/C=C(\C)C(=O)[O-])cc1[O-] ZINC001589275432 985981826 /nfs/dbraw/zinc/98/18/26/985981826.db2.gz CHXPCYGOTMANNC-VMPITWQZSA-N -2 3 277.276 1.356 20 0 CDADHL CCc1ccc(C(=O)N[C@H](CF)C(=O)[O-])c([O-])c1 ZINC001597500617 988058027 /nfs/dbraw/zinc/05/80/27/988058027.db2.gz RWORKLQZNYPVSE-SECBINFHSA-N -2 3 255.245 1.107 20 0 CDADHL CCc1cccc(C(=O)N(CC(=O)[O-])C2CC2)c1[O-] ZINC001597570423 988343754 /nfs/dbraw/zinc/34/37/54/988343754.db2.gz IHQDIELREYWHPC-UHFFFAOYSA-N -2 3 263.293 1.644 20 0 CDADHL CSc1ccc([O-])c(C(=O)N(CC(=O)[O-])C2CC2)c1 ZINC001599819731 988491021 /nfs/dbraw/zinc/49/10/21/988491021.db2.gz FQXVMEAVEDGYAW-UHFFFAOYSA-N -2 3 281.333 1.803 20 0 CDADHL CC(C)(CS(=O)(=O)[N-]c1cc(O)cc(F)c1)C(=O)[O-] ZINC001590818142 990649520 /nfs/dbraw/zinc/64/95/20/990649520.db2.gz GNTCRWLMYXYVLC-UHFFFAOYSA-N -2 3 291.300 1.384 20 0 CDADHL C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000095153057 342464289 /nfs/dbraw/zinc/46/42/89/342464289.db2.gz IXUSSTXIBNTUCG-MRVPVSSYSA-N -2 3 289.295 1.306 20 0 CDADHL C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000095153057 342464290 /nfs/dbraw/zinc/46/42/90/342464290.db2.gz IXUSSTXIBNTUCG-MRVPVSSYSA-N -2 3 289.295 1.306 20 0 CDADHL CCOC(=O)c1ccc([N-]S(=O)(=O)C2CC2)c([O-])c1 ZINC000273856304 192337294 /nfs/dbraw/zinc/33/72/94/192337294.db2.gz IAQDUKANPRWHPQ-UHFFFAOYSA-N -2 3 285.321 1.473 20 0 CDADHL O=C(Cc1ccc([O-])c(F)c1)NCc1ncccc1[O-] ZINC000622570411 342354117 /nfs/dbraw/zinc/35/41/17/342354117.db2.gz CRNOLKBVKIYMTJ-UHFFFAOYSA-N -2 3 276.267 1.491 20 0 CDADHL COc1ccc(C(=O)NC[C@@H](C)CC(=O)[O-])c([O-])c1 ZINC000211782471 345740735 /nfs/dbraw/zinc/74/07/35/345740735.db2.gz BUQQTTHQTIZYEJ-QMMMGPOBSA-N -2 3 267.281 1.241 20 0 CDADHL C[C@H](C[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)C(=O)[O-] ZINC000274964216 365871964 /nfs/dbraw/zinc/87/19/64/365871964.db2.gz VJNQXNOXUUFRIO-RXMQYKEDSA-N -2 3 297.254 1.103 20 0 CDADHL O=C([O-])C1([N-]S(=O)(=O)c2cc(F)cc(F)c2)CCC1 ZINC000164941142 304033918 /nfs/dbraw/zinc/03/39/18/304033918.db2.gz LEOUDMFMAGNJRM-UHFFFAOYSA-N -2 3 291.275 1.250 20 0 CDADHL CC[C@@H](C)[C@@H](NC(=O)c1cc(OC)ccc1[O-])C(=O)[O-] ZINC000036975528 356302137 /nfs/dbraw/zinc/30/21/37/356302137.db2.gz YTFQABSPCYENFM-PRHODGIISA-N -2 3 281.308 1.630 20 0 CDADHL Cc1nnc(-n2[n-]c3c(c2=O)C[C@@H](C(C)C)CC3)[n-]c1=O ZINC000634586880 356465804 /nfs/dbraw/zinc/46/58/04/356465804.db2.gz ZDPJAAXADXFARM-UWVGGRQHSA-N -2 3 289.339 1.661 20 0 CDADHL CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc2n[n-]nc2c1 ZINC000037590133 356503209 /nfs/dbraw/zinc/50/32/09/356503209.db2.gz VBBGMULFBVMPJC-QMMMGPOBSA-N -2 3 276.296 1.283 20 0 CDADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000277365158 366424847 /nfs/dbraw/zinc/42/48/47/366424847.db2.gz YTMCKOJTKWOLME-MRVPVSSYSA-N -2 3 261.299 1.057 20 0 CDADHL O=C(N=c1ccc([O-])n[n-]1)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000637126322 359241096 /nfs/dbraw/zinc/24/10/96/359241096.db2.gz GKIXETPGWXZASH-ZLKJLUDKSA-N -2 3 267.288 1.129 20 0 CDADHL C[C@H](CN(C)C(=O)NCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000263220137 359245354 /nfs/dbraw/zinc/24/53/54/359245354.db2.gz KKESONDQWNXLSY-MRVPVSSYSA-N -2 3 284.287 1.393 20 0 CDADHL CCCC[C@@H](NC(=O)Cc1c(C)nc(C)[n-]c1=O)C(=O)[O-] ZINC000347273059 359267708 /nfs/dbraw/zinc/26/77/08/359267708.db2.gz YCUXLIHYLGDAGQ-LLVKDONJSA-N -2 3 295.339 1.101 20 0 CDADHL Cc1ncc(CNC(=O)c2cc(Cl)ccc2[O-])c(=O)[n-]1 ZINC000436825051 364313232 /nfs/dbraw/zinc/31/32/32/364313232.db2.gz DTSGJWVESBFHFP-UHFFFAOYSA-N -2 3 293.710 1.780 20 0 CDADHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000275326697 193001596 /nfs/dbraw/zinc/00/15/96/193001596.db2.gz YNKWYRODWQGFOD-MRVPVSSYSA-N -2 3 291.394 1.916 20 0 CDADHL O=C([O-])c1ccc(C(=O)Nc2ccccc2[O-])nc1 ZINC000642218803 366921912 /nfs/dbraw/zinc/92/19/12/366921912.db2.gz OMMCYRAPQGWEKD-UHFFFAOYSA-N -2 3 258.233 1.738 20 0 CDADHL CO[C@H](C)CS(=O)(=O)[N-]c1c(C)cccc1[O-] ZINC000282321523 367831185 /nfs/dbraw/zinc/83/11/85/367831185.db2.gz ZOOWJHOAGVYSAK-SECBINFHSA-N -2 3 259.327 1.477 20 0 CDADHL O=C([O-])C1CCC([N-]S(=O)(=O)c2cscn2)CC1 ZINC000567885325 371182764 /nfs/dbraw/zinc/18/27/64/371182764.db2.gz KDOSSACETOUFOX-UHFFFAOYSA-N -2 3 290.366 1.065 20 0 CDADHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccco1 ZINC000578477939 372473779 /nfs/dbraw/zinc/47/37/79/372473779.db2.gz RSMUIXVMFAXZDA-MRVPVSSYSA-N -2 3 261.299 1.059 20 0 CDADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000397818856 373365742 /nfs/dbraw/zinc/36/57/42/373365742.db2.gz GNFGYZQJFHXJPG-SRSLHRDFSA-N -2 3 287.362 1.523 20 0 CDADHL CC(=O)c1ccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])cc1[O-] ZINC000584469812 373821180 /nfs/dbraw/zinc/82/11/80/373821180.db2.gz YFQLDTXETAARJB-GFCCVEGCSA-N -2 3 291.303 1.674 20 0 CDADHL COC(=O)c1ccc(C=CC(=O)N=c2ccc([O-])n[n-]2)cc1 ZINC000492741652 253284698 /nfs/dbraw/zinc/28/46/98/253284698.db2.gz TYHJDJYKVVVGIT-YWEYNIOJSA-N -2 3 299.286 1.043 20 0 CDADHL CC[C@@H](CS(=O)(=O)[N-]c1c(C)cccc1[O-])OC ZINC000421156238 391825305 /nfs/dbraw/zinc/82/53/05/391825305.db2.gz OWEKUDVBONZIKI-JTQLQIEISA-N -2 3 273.354 1.867 20 0 CDADHL Cc1occc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000645960079 393435028 /nfs/dbraw/zinc/43/50/28/393435028.db2.gz TWUWAIVTJMNBIJ-UHFFFAOYSA-N -2 3 299.304 1.666 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc[nH]2)c(F)c1 ZINC000185087346 140036333 /nfs/dbraw/zinc/03/63/33/140036333.db2.gz GXQNZERFVYUJNY-UHFFFAOYSA-N -2 3 298.295 1.331 20 0 CDADHL O=C([O-])Cc1ccccc1NC(=O)c1ccc2n[n-]nc2c1 ZINC000315610308 149259153 /nfs/dbraw/zinc/25/91/53/149259153.db2.gz MJTBGALPDPZQKL-UHFFFAOYSA-N -2 3 296.286 1.837 20 0 CDADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2CC[C@H](F)C2)c1 ZINC000352180733 155002517 /nfs/dbraw/zinc/00/25/17/155002517.db2.gz SBGGISYQXXJCON-JGVFFNPUSA-N -2 3 293.341 1.615 20 0 CDADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000021963096 171343070 /nfs/dbraw/zinc/34/30/70/171343070.db2.gz BTEYGZQXOOESPM-CBAPKCEASA-N -2 3 277.367 1.526 20 0 CDADHL CCN(C(=O)c1cc(C)ccc1[O-])[C@@H](C)C(=O)[O-] ZINC000663126806 413971589 /nfs/dbraw/zinc/97/15/89/413971589.db2.gz ZMGZCOJCKDVQGU-VIFPVBQESA-N -2 3 251.282 1.636 20 0 CDADHL CSc1ccc([O-])c(C(=O)N[C@]2(C(=O)[O-])CCOC2)c1 ZINC000663134343 413983519 /nfs/dbraw/zinc/98/35/19/413983519.db2.gz ZJVUJPKHRJOUNM-CYBMUJFWSA-N -2 3 297.332 1.088 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCSC2)oc1C(=O)[O-] ZINC000663423611 414244350 /nfs/dbraw/zinc/24/43/50/414244350.db2.gz XMEXHYGQCBMLEA-SSDOTTSWSA-N -2 3 291.350 1.070 20 0 CDADHL CCCN(CC(=O)[O-])C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000038020162 173998528 /nfs/dbraw/zinc/99/85/28/173998528.db2.gz ISCGUGLDUVXOIN-UHFFFAOYSA-N -2 3 288.303 1.465 20 0 CDADHL Cc1cccnc1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000071343884 176130840 /nfs/dbraw/zinc/13/08/40/176130840.db2.gz FPKTWZFNIYIVNI-UHFFFAOYSA-N -2 3 296.304 1.160 20 0 CDADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@H]2C=C[C@H](C(=O)[O-])C2)c1 ZINC000092181555 289051666 /nfs/dbraw/zinc/05/16/66/289051666.db2.gz HAFRGNLJICIWFI-UWVGGRQHSA-N -2 3 299.323 1.442 20 0 CDADHL Cc1csc(S(=O)(=O)[N-]C[C@@H](C)CC(=O)[O-])c1 ZINC000574410735 294996503 /nfs/dbraw/zinc/99/65/03/294996503.db2.gz GXJXCXVFTOPBPZ-ZETCQYMHSA-N -2 3 277.367 1.446 20 0 CDADHL O=C([O-])[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccco2)C1 ZINC000581942112 324864943 /nfs/dbraw/zinc/86/49/43/324864943.db2.gz WTIKRYQUXWTOSB-IUCAKERBSA-N -2 3 273.310 1.201 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)CCCc1ccccn1 ZINC001601994551 1175104054 /nfs/dbraw/zinc/10/40/54/1175104054.db2.gz DMVJGWIZTXEJIB-UHFFFAOYSA-N -2 3 266.297 1.317 20 0 CDADHL CSCC[C@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000129391187 600240863 /nfs/dbraw/zinc/24/08/63/600240863.db2.gz TYNCJEZJZFWVGO-ZETCQYMHSA-N -2 3 293.366 1.398 20 0 CDADHL CC(C)(CNC(=O)NCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000826584483 601687671 /nfs/dbraw/zinc/68/76/71/601687671.db2.gz AJRKPIFATWWKCJ-UHFFFAOYSA-N -2 3 284.287 1.441 20 0 CDADHL O=C([O-])c1cc(/C=C2/C(=O)[N-]C(=O)c3ccccc32)c[nH]1 ZINC000833361067 601792782 /nfs/dbraw/zinc/79/27/82/601792782.db2.gz OELSRLQDCMHXOF-VZUCSPMQSA-N -2 3 282.255 1.524 20 0 CDADHL CSCC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000903555346 626024486 /nfs/dbraw/zinc/02/44/86/626024486.db2.gz KBIZYTYGBRWCEH-UHFFFAOYSA-N -2 3 293.366 1.398 20 0 CDADHL CC(C)[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000908618179 628309784 /nfs/dbraw/zinc/30/97/84/628309784.db2.gz MBNZSZXJTWBXHC-GFCCVEGCSA-N -2 3 269.272 1.299 20 0 CDADHL C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909130514 628526364 /nfs/dbraw/zinc/52/63/64/628526364.db2.gz LIWUKUYIYINGII-QMMMGPOBSA-N -2 3 269.272 1.443 20 0 CDADHL COc1ccccc1CO[N-]C(=O)C[C@H](C)CC(=O)[O-] ZINC000911807313 629538280 /nfs/dbraw/zinc/53/82/80/629538280.db2.gz ZHQSIAPOABERKA-JTQLQIEISA-N -2 3 281.308 1.744 20 0 CDADHL O=C([N-]OCC(F)(F)F)C(=O)c1ccc([O-])cc1 ZINC000807094740 679209881 /nfs/dbraw/zinc/20/98/81/679209881.db2.gz ZPIYSESWSNZQRO-UHFFFAOYSA-N -2 3 263.171 1.185 20 0 CDADHL CC[C@H](NC(=O)NCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000780686442 677919780 /nfs/dbraw/zinc/91/97/80/677919780.db2.gz LCDPFUATVJIJNZ-VIFPVBQESA-N -2 3 270.260 1.194 20 0 CDADHL COc1ccc(C(=O)N2CCC[C@@H]3C[C@@]32C(=O)[O-])c([O-])c1 ZINC000923148577 678625991 /nfs/dbraw/zinc/62/59/91/678625991.db2.gz RSYSTUUNGCJCSS-PSLIRLAXSA-N -2 3 291.303 1.480 20 0 CDADHL CCc1ccc([O-])c(C(=O)N(CC(=O)[O-])C2CC2)c1 ZINC001605821552 1163680956 /nfs/dbraw/zinc/68/09/56/1163680956.db2.gz MEXCGIQTQBKPAQ-UHFFFAOYSA-N -2 3 263.293 1.644 20 0 CDADHL CCc1noc(C)c1[N-]C(=O)c1csc(C(=O)[O-])n1 ZINC001605876609 1163704759 /nfs/dbraw/zinc/70/47/59/1163704759.db2.gz ORSBUILZDOBQGA-UHFFFAOYSA-N -2 3 281.293 1.952 20 0 CDADHL Cc1nsc(NC[C@@H](C(=O)[O-])C(C)C)c1-c1nnn[n-]1 ZINC001606157059 1163791689 /nfs/dbraw/zinc/79/16/89/1163791689.db2.gz VWEDFRSYCUEAMU-SSDOTTSWSA-N -2 3 296.356 1.400 20 0 CDADHL Cc1nsc(NC[C@H](C(=O)[O-])C(C)C)c1-c1nnn[n-]1 ZINC001606157060 1163791708 /nfs/dbraw/zinc/79/17/08/1163791708.db2.gz VWEDFRSYCUEAMU-ZETCQYMHSA-N -2 3 296.356 1.400 20 0 CDADHL Cc1ccc(C(=O)CCC(=O)[N-]OCCCC(=O)[O-])s1 ZINC001607726022 1164278258 /nfs/dbraw/zinc/27/82/58/1164278258.db2.gz DUAKBCGPCVCVEU-UHFFFAOYSA-N -2 3 299.348 1.932 20 0 CDADHL O=C([O-])CNc1cccc(Cl)c1-c1nnn[n-]1 ZINC000095150738 1166595377 /nfs/dbraw/zinc/59/53/77/1166595377.db2.gz CVTXZAYNAKELRH-UHFFFAOYSA-N -2 3 253.649 1.017 20 0 CDADHL O=C([O-])CNc1cccc(Cl)c1-c1nn[n-]n1 ZINC000095150738 1166595381 /nfs/dbraw/zinc/59/53/81/1166595381.db2.gz CVTXZAYNAKELRH-UHFFFAOYSA-N -2 3 253.649 1.017 20 0 CDADHL CC(=O)c1ccc(-c2nn[n-]n2)cc1NC[C@H](C)C(=O)[O-] ZINC001588909656 1173113587 /nfs/dbraw/zinc/11/35/87/1173113587.db2.gz HFBXVJMWRBTUKM-ZETCQYMHSA-N -2 3 289.295 1.202 20 0 CDADHL C[C@]1(C(=O)[O-])CCN(c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001590071251 1173246813 /nfs/dbraw/zinc/24/68/13/1173246813.db2.gz JRFTWPOQQWWJBN-ZDUSSCGKSA-N -2 3 291.286 1.307 20 0 CDADHL C[C@]1(C(=O)[O-])CCN(c2ccc(F)cc2-c2nn[n-]n2)C1 ZINC001590071251 1173246817 /nfs/dbraw/zinc/24/68/17/1173246817.db2.gz JRFTWPOQQWWJBN-ZDUSSCGKSA-N -2 3 291.286 1.307 20 0 CDADHL CCc1onc(C)c1[N-]C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590937872 1173547439 /nfs/dbraw/zinc/54/74/39/1173547439.db2.gz BJWXXBOVVBIUOU-UHFFFAOYSA-N -2 3 288.267 1.571 20 0 CDADHL Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)no1 ZINC001592030859 1173776584 /nfs/dbraw/zinc/77/65/84/1173776584.db2.gz YLLPINBTUZTQSF-UHFFFAOYSA-N -2 3 286.251 1.121 20 0 CDADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)[C@H]1CCSC1 ZINC001593171403 1174029292 /nfs/dbraw/zinc/02/92/92/1174029292.db2.gz WGYUBTIFCDXQHS-VIFPVBQESA-N -2 3 291.336 1.030 20 0 CDADHL O=C([O-])[C@@H](CNc1cc(-c2nnn[n-]2)ccn1)C1CCC1 ZINC001593276099 1174046108 /nfs/dbraw/zinc/04/61/08/1174046108.db2.gz LIUFXKAVUHZNDG-JTQLQIEISA-N -2 3 288.311 1.175 20 0 CDADHL O=C([O-])[C@@H](CNc1cc(-c2nn[n-]n2)ccn1)C1CCC1 ZINC001593276099 1174046116 /nfs/dbraw/zinc/04/61/16/1174046116.db2.gz LIUFXKAVUHZNDG-JTQLQIEISA-N -2 3 288.311 1.175 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])o2)o1 ZINC001600481214 1174488162 /nfs/dbraw/zinc/48/81/62/1174488162.db2.gz NHUVFBPUCZRNFT-UHFFFAOYSA-N -2 3 285.277 1.358 20 0 CDADHL O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)[N-]OC1CCCC1 ZINC001601285018 1174824109 /nfs/dbraw/zinc/82/41/09/1174824109.db2.gz NARNJCIUKRPUNP-GXSJLCMTSA-N -2 3 271.313 1.247 20 0 CDADHL O=C([O-])c1cc(C(=O)Nc2n[n-]c(-c3ccco3)n2)c[nH]1 ZINC001601633773 1174919089 /nfs/dbraw/zinc/91/90/89/1174919089.db2.gz QXJZBUVZURDRSS-UHFFFAOYSA-N -2 3 287.235 1.343 20 0 CDADHL O=C([O-])C1([N-]C(=O)C(F)(F)c2nccs2)CCC1 ZINC001601719975 1174967373 /nfs/dbraw/zinc/96/73/73/1174967373.db2.gz QEGMESSCHAJXHM-UHFFFAOYSA-N -2 3 276.264 1.358 20 0 CDADHL O=C([O-])CC(=O)Nc1n[n-]c(-c2ccc3ccccc3n2)n1 ZINC001601888501 1175054066 /nfs/dbraw/zinc/05/40/66/1175054066.db2.gz BSTPOKRHAJZERE-UHFFFAOYSA-N -2 3 297.274 1.433 20 0 CDADHL C[C@H](CC(=O)[N-]OCCCC(=O)[O-])[C@@H]1CCCO1 ZINC001604068115 1175740922 /nfs/dbraw/zinc/74/09/22/1175740922.db2.gz KJFRTHAXHZYGGJ-ZJUUUORDSA-N -2 3 259.302 1.104 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)C[C@@H]1COc2ccccc2O1 ZINC001608715724 1164618240 /nfs/dbraw/zinc/61/82/40/1164618240.db2.gz BTQHQHCWSVYVDK-SNVBAGLBSA-N -2 3 295.291 1.129 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@H](C1CC1)C1CCC1 ZINC001608956453 1164695649 /nfs/dbraw/zinc/69/56/49/1164695649.db2.gz UOLLMNOWWPSKGF-NSHDSACASA-N -2 3 299.348 1.835 20 0 CDADHL CC(C)(C)c1nnc([N-]c2cnn(CC(=O)[O-])c2)s1 ZINC001176264578 914031935 /nfs/dbraw/zinc/03/19/35/914031935.db2.gz PYBMAYZCXMGEMU-UHFFFAOYSA-N -2 3 281.341 1.860 20 0 CDADHL COC(=O)CCCS(=O)(=O)[N-]c1cccc(F)c1[O-] ZINC000707909277 896667744 /nfs/dbraw/zinc/66/77/44/896667744.db2.gz FVSBMWIDRVRJMB-UHFFFAOYSA-N -2 3 291.300 1.226 20 0 CDADHL O=c1[nH]cnc([O-])c1Nc1c(F)cc(F)c([O-])c1F ZINC001176664319 914206520 /nfs/dbraw/zinc/20/65/20/914206520.db2.gz UJTFSYKYUFEUEG-UHFFFAOYSA-N -2 3 273.170 1.754 20 0 CDADHL CSC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694160849 898102612 /nfs/dbraw/zinc/10/26/12/898102612.db2.gz VORFVAINOZJTAP-UHFFFAOYSA-N -2 3 293.366 1.398 20 0 CDADHL Cn1ccc(C(=O)Nc2ccc(F)c([O-])c2)c1CC(=O)[O-] ZINC001177367651 914613590 /nfs/dbraw/zinc/61/35/90/914613590.db2.gz RCMNKSBOROADKX-UHFFFAOYSA-N -2 3 292.266 1.749 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])Nc1nccs1 ZINC001189405747 921479016 /nfs/dbraw/zinc/47/90/16/921479016.db2.gz YOEINJYQMVBXRG-UHFFFAOYSA-N -2 3 279.258 1.223 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])C1=Cc2ccccc2C1 ZINC001183979203 918808807 /nfs/dbraw/zinc/80/88/07/918808807.db2.gz ZCDDZVJOJMDGSW-UHFFFAOYSA-N -2 3 295.275 1.700 20 0 CDADHL O=S(=O)([N-]c1cncc([O-])c1)c1ccsc1 ZINC001185350964 919541464 /nfs/dbraw/zinc/54/14/64/919541464.db2.gz OAKKOUMCBGTINO-UHFFFAOYSA-N -2 3 256.308 1.650 20 0 CDADHL C[C@H](NC(=O)NCCP(=O)([O-])[O-])C1CCCCC1 ZINC001186399916 920015688 /nfs/dbraw/zinc/01/56/88/920015688.db2.gz CYQGHCBFYSVSQO-VIFPVBQESA-N -2 3 278.289 1.432 20 0 CDADHL Cc1cncc(C(=O)NCCCCP(=O)([O-])[O-])c1 ZINC001147405655 932500021 /nfs/dbraw/zinc/50/00/21/932500021.db2.gz XEMMWMDQTZETSJ-UHFFFAOYSA-N -2 3 272.241 1.078 20 0 CDADHL CN(Cc1n[n-]c(=O)o1)C(=O)c1cc([O-])ccc1Cl ZINC001412866590 935066468 /nfs/dbraw/zinc/06/64/68/935066468.db2.gz ZGSRYARSMJSQCR-UHFFFAOYSA-N -2 3 283.671 1.406 20 0 CDADHL F[C@@H]1COCC[C@@H]1Oc1nc2ncnc-2c([S-])[n-]1 ZINC001226780861 942069056 /nfs/dbraw/zinc/06/90/56/942069056.db2.gz BVCNUPYGPRDTSF-RITPCOANSA-N -2 3 270.289 1.147 20 0 CDADHL Cc1cc(=O)n(-c2ccc(-c3ccccc3[O-])nn2)[n-]1 ZINC001241009095 946144737 /nfs/dbraw/zinc/14/47/37/946144737.db2.gz ZERNAOZNDWJNGI-UHFFFAOYSA-N -2 3 268.276 1.962 20 0 CDADHL O=C1[N-]S(=O)(=O)c2cc(-c3cccc([O-])c3F)ccc21 ZINC001243547167 947141660 /nfs/dbraw/zinc/14/16/60/947141660.db2.gz KVSDRNLXELBZLY-UHFFFAOYSA-N -2 3 293.275 1.630 20 0 CDADHL CC[C@@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)C(=O)[O-] ZINC000087482824 958013025 /nfs/dbraw/zinc/01/30/25/958013025.db2.gz ZPTPYKGCWHOHRU-VIFPVBQESA-N -2 3 288.303 1.369 20 0 CDADHL O=C([O-])Cc1ccccc1NC(=O)c1cccc(O)c1[O-] ZINC000126016560 958577501 /nfs/dbraw/zinc/57/75/01/958577501.db2.gz KUAJUCNHLJULTO-UHFFFAOYSA-N -2 3 287.271 1.977 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)o1 ZINC001571069411 960871022 /nfs/dbraw/zinc/87/10/22/960871022.db2.gz FFUQRMQCVDBKPL-DBIOUOCHSA-N -2 3 299.348 1.366 20 0 CDADHL O=C([O-])c1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cn1 ZINC001574614116 962204128 /nfs/dbraw/zinc/20/41/28/962204128.db2.gz DBQMFRHXMDYFQW-UHFFFAOYSA-N -2 3 299.246 1.410 20 0 CDADHL Cn1nc(C(=O)[O-])cc1C=Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001605540440 973745706 /nfs/dbraw/zinc/74/57/06/973745706.db2.gz VMSXSVVFCJUFAF-PLNGDYQASA-N -2 3 286.291 1.662 20 0 CDADHL CC(C)[C@@H]1C[C@H]1[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001591853454 976141097 /nfs/dbraw/zinc/14/10/97/976141097.db2.gz CWZDZUKXSDSFQQ-DTWKUNHWSA-N -2 3 273.310 1.301 20 0 CDADHL O=C([O-])CC1CC(NC(=O)c2ccc(O)cc2[O-])C1 ZINC000718073172 977941971 /nfs/dbraw/zinc/94/19/71/977941971.db2.gz QZEFYADRHVNIGO-UHFFFAOYSA-N -2 3 265.265 1.081 20 0 CDADHL CC(=O)c1cccc(NC(=O)c2cc(C(=O)[O-])on2)c1[O-] ZINC001589311696 986099104 /nfs/dbraw/zinc/09/91/04/986099104.db2.gz VHVFZXXKXNSPIQ-UHFFFAOYSA-N -2 3 290.231 1.533 20 0 CDADHL CCc1ccc(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)c([O-])c1 ZINC001597500064 988053736 /nfs/dbraw/zinc/05/37/36/988053736.db2.gz DPWSZABXRDFODU-NSHDSACASA-N -2 3 275.304 1.858 20 0 CDADHL COC(=O)c1cnc(SCC2(CC(=O)[O-])CC2)[n-]1 ZINC001598916275 997473381 /nfs/dbraw/zinc/47/33/81/997473381.db2.gz BAUKXXFCBBCCEP-UHFFFAOYSA-N -2 3 270.310 1.543 20 0 CDADHL CC(C)CCC[C@H](NC(=O)c1c[n-]ncc1=O)C(=O)[O-] ZINC001573505478 1170678042 /nfs/dbraw/zinc/67/80/42/1170678042.db2.gz JBNKORUQMDBBON-JTQLQIEISA-N -2 3 281.312 1.192 20 0 CDADHL CCC1(C[N-]S(=O)(=O)c2scnc2C(=O)[O-])CC1 ZINC000233080905 342035902 /nfs/dbraw/zinc/03/59/02/342035902.db2.gz HPXIHPZNWFVFDB-UHFFFAOYSA-N -2 3 290.366 1.310 20 0 CDADHL Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cncc([O-])c2)n1 ZINC000622739357 342140197 /nfs/dbraw/zinc/14/01/97/342140197.db2.gz GFXRNBKNHLMQOL-UHFFFAOYSA-N -2 3 288.307 1.256 20 0 CDADHL CCNc1cnc(-c2nc3ccc([O-])cc3c(=O)[n-]2)cn1 ZINC000436929610 539045213 /nfs/dbraw/zinc/04/52/13/539045213.db2.gz FOLWOOXYVLUOHB-UHFFFAOYSA-N -2 3 283.291 1.930 20 0 CDADHL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]CC(F)F ZINC000136565529 342381276 /nfs/dbraw/zinc/38/12/76/342381276.db2.gz GCGSWXHXWVDTKW-UHFFFAOYSA-N -2 3 297.254 1.376 20 0 CDADHL CC(C)[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)C(=O)[O-] ZINC000036972764 346340950 /nfs/dbraw/zinc/34/09/50/346340950.db2.gz LLXSVZOLRWAFBE-LBPRGKRZSA-N -2 3 288.303 1.367 20 0 CDADHL CCC[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000036838148 356886236 /nfs/dbraw/zinc/88/62/36/356886236.db2.gz DBRAJIBNBOFAPS-VIFPVBQESA-N -2 3 275.301 1.357 20 0 CDADHL CC(C)(C)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000584051028 356856118 /nfs/dbraw/zinc/85/61/18/356856118.db2.gz DDZCXQKCPMBQLQ-UHFFFAOYSA-N -2 3 275.326 1.692 20 0 CDADHL C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000054333948 357317627 /nfs/dbraw/zinc/31/76/27/357317627.db2.gz DLYIJTASXMFCGN-ZCFIWIBFSA-N -2 3 295.719 1.478 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CCCC[C@@H]2CCC(=O)[O-])n1 ZINC000424261830 359982834 /nfs/dbraw/zinc/98/28/34/359982834.db2.gz PMJKMKHGXNYODE-GFCCVEGCSA-N -2 3 293.367 1.964 20 0 CDADHL COc1ccc([O-])c(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC000097058497 360916350 /nfs/dbraw/zinc/91/63/50/360916350.db2.gz PVTIBYHFDCWRHE-DTWKUNHWSA-N -2 3 279.292 1.384 20 0 CDADHL CC(=O)c1ccc(C(=O)N=c2nc(C)[n-]s2)cc1[O-] ZINC000436657807 361551865 /nfs/dbraw/zinc/55/18/65/361551865.db2.gz WZQGUTNKXQWVHH-UHFFFAOYSA-N -2 3 277.305 1.429 20 0 CDADHL O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cc(F)ccc2[O-])O1 ZINC000276116030 193218355 /nfs/dbraw/zinc/21/83/55/193218355.db2.gz LADHJTXHJXKJCS-ZJUUUORDSA-N -2 3 269.228 1.102 20 0 CDADHL Nc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1cccc(Cl)c1[O-] ZINC000340318454 369567862 /nfs/dbraw/zinc/56/78/62/369567862.db2.gz BGPJFWVUWKPWEY-UHFFFAOYSA-N -2 3 296.670 1.081 20 0 CDADHL COC(=O)c1cnc(SCC(=O)c2ccc([O-])cc2)[n-]1 ZINC000584522900 373937117 /nfs/dbraw/zinc/93/71/17/373937117.db2.gz AZZKLBCUGYTZMX-UHFFFAOYSA-N -2 3 292.316 1.877 20 0 CDADHL COC(=O)c1c[n-]c(SCC(=O)c2ccc([O-])cc2)n1 ZINC000584522900 373937124 /nfs/dbraw/zinc/93/71/24/373937124.db2.gz AZZKLBCUGYTZMX-UHFFFAOYSA-N -2 3 292.316 1.877 20 0 CDADHL COc1ccc(C(=O)N2CCC[C@]2(C)C(=O)[O-])c([O-])c1 ZINC000079478409 374409263 /nfs/dbraw/zinc/40/92/63/374409263.db2.gz FHDRDMQJMGZCCI-CQSZACIVSA-N -2 3 279.292 1.480 20 0 CDADHL Cc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)c([O-])c1 ZINC000092915974 378032886 /nfs/dbraw/zinc/03/28/86/378032886.db2.gz KDFDRVFFNCQTDZ-NXEZZACHSA-N -2 3 263.293 1.636 20 0 CDADHL Cc1cc(C(=O)N=c2[n-]nc(CC(C)C)s2)[n-]c(=O)n1 ZINC000344193986 379322515 /nfs/dbraw/zinc/32/25/15/379322515.db2.gz PRAANPCDLXMMNR-UHFFFAOYSA-N -2 3 293.352 1.215 20 0 CDADHL O=C(N=c1ccc([O-])n[n-]1)[C@@H]1CCN(c2ccccc2)C1 ZINC000410719561 391332753 /nfs/dbraw/zinc/33/27/53/391332753.db2.gz OKRQOFZLJHCSSF-LLVKDONJSA-N -2 3 284.319 1.069 20 0 CDADHL Cc1csc(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)c1 ZINC000521976835 393136877 /nfs/dbraw/zinc/13/68/77/393136877.db2.gz KTXGYTNVSIGOBC-UHFFFAOYSA-N -2 3 275.351 1.200 20 0 CDADHL Cc1ccsc1S(=O)(=O)[N-][C@H](CCF)C(=O)[O-] ZINC000656163154 413064286 /nfs/dbraw/zinc/06/42/86/413064286.db2.gz PRJXWJKZRCHQRA-SSDOTTSWSA-N -2 3 281.330 1.148 20 0 CDADHL CC(C)C[C@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000037264647 173073389 /nfs/dbraw/zinc/07/33/89/173073389.db2.gz JRVYNVQATZZGHJ-QMMMGPOBSA-N -2 3 275.326 1.691 20 0 CDADHL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000037413172 173189622 /nfs/dbraw/zinc/18/96/22/173189622.db2.gz YFQIKMIQQQULKZ-ZCFIWIBFSA-N -2 3 295.719 1.621 20 0 CDADHL COc1ccc([O-])c(C(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000037435642 173206898 /nfs/dbraw/zinc/20/68/98/173206898.db2.gz AUAHIYIAMWTCCE-JTQLQIEISA-N -2 3 265.265 1.090 20 0 CDADHL CCN(C(=O)c1cccc(C)c1[O-])[C@H](C)C(=O)[O-] ZINC000659772003 414097106 /nfs/dbraw/zinc/09/71/06/414097106.db2.gz HIORWUPPYFSFJI-SECBINFHSA-N -2 3 251.282 1.636 20 0 CDADHL O=C([O-])CCCN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000662222281 414572151 /nfs/dbraw/zinc/57/21/51/414572151.db2.gz FSRMGZYOESWTSY-LBPRGKRZSA-N -2 3 263.293 1.535 20 0 CDADHL O=C([O-])C[C@H]1CCCCN1C(=O)c1ccc(O)cc1[O-] ZINC000038026305 174011892 /nfs/dbraw/zinc/01/18/92/174011892.db2.gz RYJQKZPEVDGPLJ-SECBINFHSA-N -2 3 279.292 1.567 20 0 CDADHL CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000042556740 174793779 /nfs/dbraw/zinc/79/37/79/174793779.db2.gz JSPALWKBXBKKHY-HTQZYQBOSA-N -2 3 275.326 1.691 20 0 CDADHL O=C([O-])c1csc(S(=O)(=O)[N-]C[C@@H]2CC23CC3)c1 ZINC000562780310 293195050 /nfs/dbraw/zinc/19/50/50/293195050.db2.gz LOEVUHPRZHBXFN-QMMMGPOBSA-N -2 3 287.362 1.525 20 0 CDADHL O=C([O-])[C@@H]1CCCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000563277112 293330841 /nfs/dbraw/zinc/33/08/41/293330841.db2.gz CZKFNMJNXMDRBM-JTQLQIEISA-N -2 3 263.297 1.109 20 0 CDADHL CC1(CC[N-]S(=O)(=O)c2scnc2C(=O)[O-])CC1 ZINC000564918872 293456353 /nfs/dbraw/zinc/45/63/53/293456353.db2.gz NOESCANJHFEIMQ-UHFFFAOYSA-N -2 3 290.366 1.310 20 0 CDADHL CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000571707850 294491497 /nfs/dbraw/zinc/49/14/97/294491497.db2.gz MLFWOZNWLCEUIZ-RKDXNWHRSA-N -2 3 275.326 1.447 20 0 CDADHL Cc1ccc(NCCCCCC(=O)[O-])nc1-c1nnn[n-]1 ZINC001592185739 1173830720 /nfs/dbraw/zinc/83/07/20/1173830720.db2.gz LFAOIZDVHMCFBK-UHFFFAOYSA-N -2 3 290.327 1.627 20 0 CDADHL CCOC(=O)c1cc(NC(=O)c2ccccc2[O-])n[n-]1 ZINC000180934238 323223239 /nfs/dbraw/zinc/22/32/39/323223239.db2.gz UJQJYQBNPCANDW-UHFFFAOYSA-N -2 3 275.264 1.544 20 0 CDADHL CCOC(=O)c1cc(NC(=O)c2ccccc2[O-])[n-]n1 ZINC000180934238 323223241 /nfs/dbraw/zinc/22/32/41/323223241.db2.gz UJQJYQBNPCANDW-UHFFFAOYSA-N -2 3 275.264 1.544 20 0 CDADHL O=C([O-])[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccco2)C1 ZINC000581942111 324864956 /nfs/dbraw/zinc/86/49/56/324864956.db2.gz WTIKRYQUXWTOSB-DTWKUNHWSA-N -2 3 273.310 1.201 20 0 CDADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCSC2)cc1C(=O)[O-] ZINC000583379194 325163442 /nfs/dbraw/zinc/16/34/42/325163442.db2.gz KLAMHJQPBWWWLH-ZETCQYMHSA-N -2 3 291.350 1.070 20 0 CDADHL O=C([N-]c1n[n-]c(-c2c(F)cccc2F)n1)c1cocn1 ZINC000673936591 482898526 /nfs/dbraw/zinc/89/85/26/482898526.db2.gz IMGHCCBMJQJLLK-UHFFFAOYSA-N -2 3 291.217 1.990 20 0 CDADHL CC[C@@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000054468786 521995440 /nfs/dbraw/zinc/99/54/40/521995440.db2.gz WHHFRGKBLIEGEU-MRVPVSSYSA-N -2 3 289.328 1.848 20 0 CDADHL O=C([O-])[C@@H]1CCN(c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC000095141556 1174496811 /nfs/dbraw/zinc/49/68/11/1174496811.db2.gz ZCCOGPWZWFOPMV-SSDOTTSWSA-N -2 3 293.714 1.431 20 0 CDADHL O=C([O-])[C@@H]1CCN(c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC000095141556 1174496815 /nfs/dbraw/zinc/49/68/15/1174496815.db2.gz ZCCOGPWZWFOPMV-SSDOTTSWSA-N -2 3 293.714 1.431 20 0 CDADHL O=C([O-])CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000095154627 1174499655 /nfs/dbraw/zinc/49/96/55/1174499655.db2.gz MZKVNWUSLBKJOE-UHFFFAOYSA-N -2 3 287.201 1.382 20 0 CDADHL Cn1c(C(=O)[O-])ccc1C(=O)Nc1cc(F)ccc1[O-] ZINC001600905341 1174657864 /nfs/dbraw/zinc/65/78/64/1174657864.db2.gz BKHMLZJWMZXEEI-UHFFFAOYSA-N -2 3 278.239 1.820 20 0 CDADHL CN(Cc1ccc(NC(=O)c2c[n-]nn2)cc1)C(=O)[O-] ZINC000737485648 575973883 /nfs/dbraw/zinc/97/38/83/575973883.db2.gz ZFTUFROMPABIGC-UHFFFAOYSA-N -2 3 275.268 1.167 20 0 CDADHL CN(Cc1ccc(NC(=O)c2cnn[n-]2)cc1)C(=O)[O-] ZINC000737485648 575973884 /nfs/dbraw/zinc/97/38/84/575973884.db2.gz ZFTUFROMPABIGC-UHFFFAOYSA-N -2 3 275.268 1.167 20 0 CDADHL CN(Cc1ccc(NC(=O)c2cn[n-]n2)cc1)C(=O)[O-] ZINC000737485648 575973886 /nfs/dbraw/zinc/97/38/86/575973886.db2.gz ZFTUFROMPABIGC-UHFFFAOYSA-N -2 3 275.268 1.167 20 0 CDADHL O=C([O-])CCCSc1n[n-]c(-c2ccccn2)n1 ZINC000738586695 576091736 /nfs/dbraw/zinc/09/17/36/576091736.db2.gz ZIUFJJJEGDNFCR-UHFFFAOYSA-N -2 3 264.310 1.824 20 0 CDADHL O=C([O-])c1ccccc1C(=O)OCc1cc(=O)c([O-])co1 ZINC000740242745 576449360 /nfs/dbraw/zinc/44/93/60/576449360.db2.gz TUOXDFOVOIVRJM-UHFFFAOYSA-N -2 3 290.227 1.401 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)Cc1ccc(F)c(Cl)c1 ZINC001601995405 1175104692 /nfs/dbraw/zinc/10/46/92/1175104692.db2.gz RFAPHDPSJPJJED-UHFFFAOYSA-N -2 3 289.690 1.934 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)CCCOc1ccccc1 ZINC001601995322 1175105604 /nfs/dbraw/zinc/10/56/04/1175105604.db2.gz PPEZDTCCYPBEHR-UHFFFAOYSA-N -2 3 281.308 1.758 20 0 CDADHL CCC[C@](C)(NC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000908870491 628395518 /nfs/dbraw/zinc/39/55/18/628395518.db2.gz AYOPOHHNXLVYNE-AWEZNQCLSA-N -2 3 283.299 1.833 20 0 CDADHL O=C([N-]OCC1CCC1)c1cnc(C2CC2)[n-]c1=O ZINC000912724416 630170017 /nfs/dbraw/zinc/17/00/17/630170017.db2.gz GPTAWRVBFWIFRZ-UHFFFAOYSA-N -2 3 263.297 1.521 20 0 CDADHL C[C@@H](CC(=O)[O-])NC(=O)c1cc([O-])ccc1Cl ZINC000235096989 679706109 /nfs/dbraw/zinc/70/61/09/679706109.db2.gz YGSHPYABOROQBH-LURJTMIESA-N -2 3 257.673 1.639 20 0 CDADHL Cc1nc(C(C)C)[n-]c(=O)c1C(=O)[N-]OCC(C)(C)O ZINC000834624587 684177779 /nfs/dbraw/zinc/17/77/79/684177779.db2.gz IXTGTEAQESGIKV-UHFFFAOYSA-N -2 3 283.328 1.046 20 0 CDADHL CCC[C@@](C)(NC(=O)NCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000780685822 679820759 /nfs/dbraw/zinc/82/07/59/679820759.db2.gz FJVHCUIZGAMNIG-CQSZACIVSA-N -2 3 298.314 1.974 20 0 CDADHL Nc1ccc(C(=O)N2CCCC[C@H]2CC(=O)[O-])c([O-])c1 ZINC000849366406 681558080 /nfs/dbraw/zinc/55/80/80/681558080.db2.gz XNZZWHMIPSVNGW-JTQLQIEISA-N -2 3 278.308 1.444 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@H]1CCCC12CC2 ZINC000871995827 681747607 /nfs/dbraw/zinc/74/76/07/681747607.db2.gz IKFUIOBFLJKYNS-VIFPVBQESA-N -2 3 285.321 1.589 20 0 CDADHL CCC[C@H](C)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871992728 682451459 /nfs/dbraw/zinc/45/14/59/682451459.db2.gz CGJHSGLKGMGADM-ZETCQYMHSA-N -2 3 261.299 1.445 20 0 CDADHL Cc1cc(=O)[n-]c(CN2CCC(N(C)C(=O)[O-])CC2)n1 ZINC000830122447 683975339 /nfs/dbraw/zinc/97/53/39/683975339.db2.gz MINWMVQAMURMJW-UHFFFAOYSA-N -2 3 280.328 1.065 20 0 CDADHL CCO[N-]C(=O)CNC(=O)c1ccc(C(C)C)cc1[O-] ZINC000846492944 684018612 /nfs/dbraw/zinc/01/86/12/684018612.db2.gz FWCJNAISJNPXGY-UHFFFAOYSA-N -2 3 280.324 1.313 20 0 CDADHL Cc1cc([C@H](C)SCCc2nnn[n-]2)oc1C(=O)[O-] ZINC001607610759 1164240848 /nfs/dbraw/zinc/24/08/48/1164240848.db2.gz MWOGQOZTZLGTNK-ZETCQYMHSA-N -2 3 282.325 1.836 20 0 CDADHL Cc1cc([C@H](C)SCCc2nn[n-]n2)oc1C(=O)[O-] ZINC001607610759 1164240854 /nfs/dbraw/zinc/24/08/54/1164240854.db2.gz MWOGQOZTZLGTNK-ZETCQYMHSA-N -2 3 282.325 1.836 20 0 CDADHL Cc1cccc([O-])c1C(=O)N1CCSC[C@@H](C(=O)[O-])C1 ZINC001607858837 1164314140 /nfs/dbraw/zinc/31/41/40/1164314140.db2.gz ZGFHGWHXBOWGOG-JTQLQIEISA-N -2 3 295.360 1.590 20 0 CDADHL C/C(=C\COC(=O)c1cc(F)cc2n[n-]nc21)C(=O)[O-] ZINC001609535122 1164983378 /nfs/dbraw/zinc/98/33/78/1164983378.db2.gz DIBDEEVGNZKQBB-QHHAFSJGSA-N -2 3 279.227 1.285 20 0 CDADHL O=C([O-])c1cncc(-c2cccc(-c3nnn[n-]3)c2)c1 ZINC000095221771 1166609479 /nfs/dbraw/zinc/60/94/79/1166609479.db2.gz PUANCJPSZWHCPY-UHFFFAOYSA-N -2 3 267.248 1.627 20 0 CDADHL O=C([O-])c1cncc(-c2cccc(-c3nn[n-]n3)c2)c1 ZINC000095221771 1166609481 /nfs/dbraw/zinc/60/94/81/1166609481.db2.gz PUANCJPSZWHCPY-UHFFFAOYSA-N -2 3 267.248 1.627 20 0 CDADHL C[C@@H](Nc1nc(C(C)(C)C)ccc1-c1nnn[n-]1)C(=O)[O-] ZINC001591731889 1173693766 /nfs/dbraw/zinc/69/37/66/1173693766.db2.gz RLKOFYFURNFFCH-SSDOTTSWSA-N -2 3 290.327 1.444 20 0 CDADHL C[C@@H](Nc1nc(C(C)(C)C)ccc1-c1nn[n-]n1)C(=O)[O-] ZINC001591731889 1173693769 /nfs/dbraw/zinc/69/37/69/1173693769.db2.gz RLKOFYFURNFFCH-SSDOTTSWSA-N -2 3 290.327 1.444 20 0 CDADHL O=C([N-]Oc1cccc(-c2nnn[n-]2)c1)C1(CF)CCC1 ZINC001593171393 1174028991 /nfs/dbraw/zinc/02/89/91/1174028991.db2.gz VXZMZIKVHZYIBV-UHFFFAOYSA-N -2 3 291.286 1.417 20 0 CDADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)C1(CF)CCC1 ZINC001593171393 1174029000 /nfs/dbraw/zinc/02/90/00/1174029000.db2.gz VXZMZIKVHZYIBV-UHFFFAOYSA-N -2 3 291.286 1.417 20 0 CDADHL O=C(Nc1ccsn1)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001593257059 1174044214 /nfs/dbraw/zinc/04/42/14/1174044214.db2.gz NTCFZPYPJITKTE-UHFFFAOYSA-N -2 3 288.292 1.281 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]C2CC3(CCC3)C2)cc1C(=O)[O-] ZINC001600857007 1174645533 /nfs/dbraw/zinc/64/55/33/1174645533.db2.gz DDFUVXDVSKHFJB-UHFFFAOYSA-N -2 3 299.348 1.897 20 0 CDADHL O=C([O-])c1occc1CNC(=O)Cc1ccc([O-])c(F)c1 ZINC001601361967 1174846376 /nfs/dbraw/zinc/84/63/76/1174846376.db2.gz RWFDJINVKDZDME-UHFFFAOYSA-N -2 3 293.250 1.681 20 0 CDADHL O=C([O-])C[C@@H]1CC[C@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001602112799 1175134987 /nfs/dbraw/zinc/13/49/87/1175134987.db2.gz RDSHTZCRBWKFEL-BDAKNGLRSA-N -2 3 288.307 1.331 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C/C=C\C1CC1 ZINC001602489174 1175261228 /nfs/dbraw/zinc/26/12/28/1175261228.db2.gz VFAMFIZCGUTVOV-UPHRSURJSA-N -2 3 271.294 1.222 20 0 CDADHL CC(C)CON=c1ccc(Cl)c(-c2nnn[n-]2)[n-]1 ZINC001603302758 1175533465 /nfs/dbraw/zinc/53/34/65/1175533465.db2.gz HBPYAYJFFAQFPT-UHFFFAOYSA-N -2 3 268.708 1.915 20 0 CDADHL CON(C(=O)c1ccc(C(C)=O)c([O-])c1)[C@@H](C)CC(=O)[O-] ZINC001606988427 1164052187 /nfs/dbraw/zinc/05/21/87/1164052187.db2.gz STQLLRQVNIIRIF-QMMMGPOBSA-N -2 3 295.291 1.462 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CCC1CSC1 ZINC001608956173 1164696562 /nfs/dbraw/zinc/69/65/62/1164696562.db2.gz IFVMCTQOXJPMEI-UHFFFAOYSA-N -2 3 291.350 1.009 20 0 CDADHL CC[C@@](C)(NC(=O)c1cc(F)cc2n[n-]nc21)C(=O)[O-] ZINC001609896604 1165136377 /nfs/dbraw/zinc/13/63/77/1165136377.db2.gz QSEALYRDCGWRLD-GFCCVEGCSA-N -2 3 280.259 1.080 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1ccc2cc[nH]c2n1 ZINC001151607573 1167086227 /nfs/dbraw/zinc/08/62/27/1167086227.db2.gz UUCDTBAPXVQHMF-UHFFFAOYSA-N -2 3 297.251 1.251 20 0 CDADHL O=Nc1c(=O)[n-]c(=O)[nH]c1Nc1ccc(CC(=O)[O-])cc1 ZINC001174951845 913413114 /nfs/dbraw/zinc/41/31/14/913413114.db2.gz PJYGVYMYKXDXBB-UHFFFAOYSA-N -2 3 290.235 1.656 20 0 CDADHL Cc1ccncc1C(=O)NCCCCP(=O)([O-])[O-] ZINC001188241222 920916876 /nfs/dbraw/zinc/91/68/76/920916876.db2.gz DSJBGCHOIRZFCA-UHFFFAOYSA-N -2 3 272.241 1.078 20 0 CDADHL O=C1CCC(S(=O)(=O)[N-]c2cc(F)ccc2[O-])CC1 ZINC001194794953 924342108 /nfs/dbraw/zinc/34/21/08/924342108.db2.gz WGYNMGSTSZZNIS-UHFFFAOYSA-N -2 3 287.312 1.785 20 0 CDADHL O=C([O-])c1ccc(Nc2cc(=O)[n-]c(=S)[nH]2)cn1 ZINC001210170284 940668841 /nfs/dbraw/zinc/66/88/41/940668841.db2.gz KUWRHYYYFVJIGL-UHFFFAOYSA-N -2 3 264.266 1.308 20 0 CDADHL O=P([O-])([O-])CCCCO[C@H]1CCCC2(C1)OCCO2 ZINC001225019218 941814526 /nfs/dbraw/zinc/81/45/26/941814526.db2.gz URNHMBZYPOAQTF-NSHDSACASA-N -2 3 294.284 1.647 20 0 CDADHL O=c1nc2cn[n-]c2c(O[C@H]2CCCC[C@@H]2F)[n-]1 ZINC001233939924 943696813 /nfs/dbraw/zinc/69/68/13/943696813.db2.gz QOPXEDHNVIDIOP-XPUUQOCRSA-N -2 3 252.249 1.306 20 0 CDADHL CC(C)(CCNC(=O)c1ccc(O)cc1[O-])C(=O)[O-] ZINC000381729623 951212104 /nfs/dbraw/zinc/21/21/04/951212104.db2.gz LWQSBYBZDAGGKW-UHFFFAOYSA-N -2 3 267.281 1.329 20 0 CDADHL O=C([O-])CCCC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001595028437 951361570 /nfs/dbraw/zinc/36/15/70/951361570.db2.gz GKAIIJYQUSVZJI-UHFFFAOYSA-N -2 3 266.179 1.017 20 0 CDADHL CCc1ccc([O-])c(C(=O)N(OC)[C@@H](C)C(=O)[O-])c1 ZINC001593639144 953633526 /nfs/dbraw/zinc/63/35/26/953633526.db2.gz USXJFOWUAHCKAS-QMMMGPOBSA-N -2 3 267.281 1.431 20 0 CDADHL CC[C@@H](C(=O)[O-])N(C)C(=O)Cc1ccc([O-])c(F)c1 ZINC001589433345 954665923 /nfs/dbraw/zinc/66/59/23/954665923.db2.gz DYSNQCPQXBLKCA-JTQLQIEISA-N -2 3 269.272 1.395 20 0 CDADHL CSc1ccc([O-])c(C(=O)N[C@@H](C)CC(=O)[O-])c1 ZINC001328443650 957677667 /nfs/dbraw/zinc/67/76/67/957677667.db2.gz SHUOSGCIOUVKJB-ZETCQYMHSA-N -2 3 269.322 1.707 20 0 CDADHL CC(C)OC(=O)c1cc(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])[n-]n1 ZINC001573549516 959227159 /nfs/dbraw/zinc/22/71/59/959227159.db2.gz JNUPNLIDFHLKPY-HTQZYQBOSA-N -2 3 295.295 1.024 20 0 CDADHL CC(C)OC(=O)c1cc(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])n[n-]1 ZINC001573549516 959227176 /nfs/dbraw/zinc/22/71/76/959227176.db2.gz JNUPNLIDFHLKPY-HTQZYQBOSA-N -2 3 295.295 1.024 20 0 CDADHL C[C@H]1CSC[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000397965906 973044600 /nfs/dbraw/zinc/04/46/00/973044600.db2.gz GAWVAWJJXDHQFR-NKWVEPMBSA-N -2 3 291.350 1.008 20 0 CDADHL O=C([O-])[C@H]1CC12CCN(C(=O)c1ccc(O)cc1[O-])CC2 ZINC000405407954 973871902 /nfs/dbraw/zinc/87/19/02/973871902.db2.gz VCTOBERZPCFTRZ-LLVKDONJSA-N -2 3 291.303 1.425 20 0 CDADHL CC([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)(C1CC1)C1CC1 ZINC000691805547 976383497 /nfs/dbraw/zinc/38/34/97/976383497.db2.gz SQPVQVHKPXAHCM-UHFFFAOYSA-N -2 3 299.348 1.835 20 0 CDADHL COc1ccc(C(=O)NC/C=C(\C)C(=O)[O-])c([O-])c1 ZINC000692431482 976471538 /nfs/dbraw/zinc/47/15/38/976471538.db2.gz WARSNZOVNFZUHU-VMPITWQZSA-N -2 3 265.265 1.162 20 0 CDADHL C/C(=C/C[N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000692476518 976502153 /nfs/dbraw/zinc/50/21/53/976502153.db2.gz LVUVDCIJZCRARZ-DAXSKMNVSA-N -2 3 290.728 1.044 20 0 CDADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C1CCC2(CC2)CC1 ZINC000695644572 976798544 /nfs/dbraw/zinc/79/85/44/976798544.db2.gz VSLUHQBATSZYGZ-UHFFFAOYSA-N -2 3 299.352 1.109 20 0 CDADHL C=C/C=C\CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000713492703 977639080 /nfs/dbraw/zinc/63/90/80/977639080.db2.gz VSSJUQPFHSTHBT-ARJAWSKDSA-N -2 3 271.294 1.388 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CC2)o1 ZINC000716486071 977845781 /nfs/dbraw/zinc/84/57/81/977845781.db2.gz OXGSHZQXEKRJFC-JGVFFNPUSA-N -2 3 271.294 1.055 20 0 CDADHL O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2nc(C(F)(F)F)n[n-]2)C1 ZINC001574344954 983220076 /nfs/dbraw/zinc/22/00/76/983220076.db2.gz IIPINOQQWMDGJC-CRCLSJGQSA-N -2 3 292.217 1.263 20 0 CDADHL CCN(CCC(=O)[O-])C(=O)c1cc2c(cc1[O-])OCO2 ZINC001596309108 983737934 /nfs/dbraw/zinc/73/79/34/983737934.db2.gz SARTUCCSPXPUOX-UHFFFAOYSA-N -2 3 281.264 1.058 20 0 CDADHL C/C(=C/C(=O)[N-]OCCCC(=O)[O-])c1ccco1 ZINC001588942230 984634025 /nfs/dbraw/zinc/63/40/25/984634025.db2.gz BXBIVMRMSKWQPR-HJWRWDBZSA-N -2 3 253.254 1.596 20 0 CDADHL CC(=O)c1ccc(C(=O)NCCSCC(=O)[O-])cc1[O-] ZINC001589275516 985983036 /nfs/dbraw/zinc/98/30/36/985983036.db2.gz GRHNMIUPIPPFMX-UHFFFAOYSA-N -2 3 297.332 1.142 20 0 CDADHL CC(=O)c1ccc(C(=O)N[C@@H](C(=O)[O-])C2CC2)cc1[O-] ZINC001589276232 985988630 /nfs/dbraw/zinc/98/86/30/985988630.db2.gz SKGVWJPWUUAZRF-GFCCVEGCSA-N -2 3 277.276 1.188 20 0 CDADHL CC(C)(C(=O)[O-])C(=O)COC(=O)c1cc2occc2[n-]1 ZINC001589584176 987377566 /nfs/dbraw/zinc/37/75/66/987377566.db2.gz CHPIIOGTMKJXGC-UHFFFAOYSA-N -2 3 279.248 1.598 20 0 CDADHL CCc1ccc([O-])c(C(=O)N2CC3CC2(C(=O)[O-])C3)c1 ZINC001597557073 988293297 /nfs/dbraw/zinc/29/32/97/988293297.db2.gz UZJSDPUJKCFFIC-UHFFFAOYSA-N -2 3 275.304 1.644 20 0 CDADHL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-][C@H](C)C(F)F ZINC001597780993 989281698 /nfs/dbraw/zinc/28/16/98/989281698.db2.gz SBKRRSSYAYIMTI-RXMQYKEDSA-N -2 3 297.279 1.472 20 0 CDADHL CC[C@H](C)[C@@H](OC(=O)Cc1c(C)nc(C)[n-]c1=O)C(=O)[O-] ZINC001604948281 1163394922 /nfs/dbraw/zinc/39/49/22/1163394922.db2.gz VVJLNJRUMMVZRQ-JVXZTZIISA-N -2 3 296.323 1.384 20 0 CDADHL COc1cccc(C(=O)Nc2cc(C(=O)[O-])nn2C)c1[O-] ZINC001599642788 994382995 /nfs/dbraw/zinc/38/29/95/994382995.db2.gz SSIZOPDJBUPDCW-UHFFFAOYSA-N -2 3 291.263 1.085 20 0 CDADHL COc1cc(C(=O)NC2CC(C(=O)[O-])C2)cc(OC)c1[O-] ZINC001599354045 998147628 /nfs/dbraw/zinc/14/76/28/998147628.db2.gz PXJZHUYNPGPCNI-UHFFFAOYSA-N -2 3 295.291 1.002 20 0 CDADHL C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1cc(C(=O)[O-])no1 ZINC001594297274 999146594 /nfs/dbraw/zinc/14/65/94/999146594.db2.gz UQMQKCWZAFOMQU-JGVFFNPUSA-N -2 3 268.269 1.058 20 0 CDADHL Cc1cccc([O-])c1C(=O)N[C@H](C)c1nc(C(=O)[O-])n[nH]1 ZINC001574165455 1170901124 /nfs/dbraw/zinc/90/11/24/1170901124.db2.gz JPHAWEMDLYIUQM-SSDOTTSWSA-N -2 3 290.279 1.008 20 0 CDADHL CC[C@H]([N-]S(=O)(=O)c1ccc(C)c(F)c1F)C(=O)[O-] ZINC000629292168 361813959 /nfs/dbraw/zinc/81/39/59/361813959.db2.gz BZGFWTHPZKIYDM-ZETCQYMHSA-N -2 3 293.291 1.415 20 0 CDADHL CC[C@H](CSC)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000132115755 342069624 /nfs/dbraw/zinc/06/96/24/342069624.db2.gz QAFFRQBSMGTHFO-SSDOTTSWSA-N -2 3 293.366 1.398 20 0 CDADHL O=C([O-])C1([N-]S(=O)(=O)c2cccc(Cl)c2F)CC1 ZINC000201666735 342815834 /nfs/dbraw/zinc/81/58/34/342815834.db2.gz PUABUNQTOVXABD-UHFFFAOYSA-N -2 3 293.703 1.375 20 0 CDADHL C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871994548 684528981 /nfs/dbraw/zinc/52/89/81/684528981.db2.gz XLEHAEXBNIVFOL-IONNQARKSA-N -2 3 273.310 1.445 20 0 CDADHL CCc1n[n-]c(=NC(=O)c2cc(C(F)F)[n-]n2)s1 ZINC000639478460 362980687 /nfs/dbraw/zinc/98/06/87/362980687.db2.gz NAIZNOZIGINJDU-UHFFFAOYSA-N -2 3 273.268 1.435 20 0 CDADHL CC[C@H](COC)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000079742112 358079703 /nfs/dbraw/zinc/07/97/03/358079703.db2.gz IBNIOVCGCHYGDN-MRVPVSSYSA-N -2 3 293.366 1.150 20 0 CDADHL CCC[C@H]([N-]S(=O)(=O)c1cc(C)cs1)C(=O)[O-] ZINC000263214535 359244485 /nfs/dbraw/zinc/24/44/85/359244485.db2.gz PJPQXNGLKHDAAO-QMMMGPOBSA-N -2 3 277.367 1.588 20 0 CDADHL CCc1ccc([O-])c(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC000263445900 359282149 /nfs/dbraw/zinc/28/21/49/359282149.db2.gz QYXTVSIFCAMUGO-OAHLLOKOSA-N -2 3 277.320 1.891 20 0 CDADHL Cc1cccc(F)c1S(=O)(=O)[N-]C1(C(=O)[O-])CC1 ZINC000282743715 368017481 /nfs/dbraw/zinc/01/74/81/368017481.db2.gz FQXANJPBMPHSJW-UHFFFAOYSA-N -2 3 273.285 1.030 20 0 CDADHL CN=c1[n-]nc(CC(=O)Nc2cccc([O-])c2F)s1 ZINC000546856494 369462725 /nfs/dbraw/zinc/46/27/25/369462725.db2.gz WPKHKBKGAKHAAU-UHFFFAOYSA-N -2 3 282.300 1.028 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]Cc2cc(C(=O)[O-])c(C)o2)o1 ZINC000566178548 370635419 /nfs/dbraw/zinc/63/54/19/370635419.db2.gz YXNLJXWOKLNJRX-UHFFFAOYSA-N -2 3 299.304 1.666 20 0 CDADHL CCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000573485045 371557610 /nfs/dbraw/zinc/55/76/10/371557610.db2.gz KTCLYIXBLZVPJN-UHFFFAOYSA-N -2 3 261.299 1.365 20 0 CDADHL CC(C)[C@H](C)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000081043202 373644430 /nfs/dbraw/zinc/64/44/30/373644430.db2.gz SBKLDCGROQIFEI-MRVPVSSYSA-N -2 3 275.326 1.548 20 0 CDADHL COc1ccc([O-])c(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC000261637809 190042083 /nfs/dbraw/zinc/04/20/83/190042083.db2.gz IKCUCAAZPHNUCE-GXSJLCMTSA-N -2 3 293.319 1.584 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)C2CC2)o1 ZINC000575049507 295091994 /nfs/dbraw/zinc/09/19/94/295091994.db2.gz DYWLMSZCMGQJEE-GZMMTYOYSA-N -2 3 287.337 1.366 20 0 CDADHL CS(=O)(=O)[N-]c1cc(Br)ccc1[O-] ZINC000084192660 390654170 /nfs/dbraw/zinc/65/41/70/390654170.db2.gz ZVGNZHOYLSUGNZ-UHFFFAOYSA-N -2 3 266.116 1.526 20 0 CDADHL CC(=O)c1ccc(C(=O)N(C)CCCC(=O)[O-])cc1[O-] ZINC000647202979 390862013 /nfs/dbraw/zinc/86/20/13/390862013.db2.gz BUWICHYANXGHSR-UHFFFAOYSA-N -2 3 279.292 1.532 20 0 CDADHL C[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)CC(F)F ZINC000646057510 391955952 /nfs/dbraw/zinc/95/59/52/391955952.db2.gz CTEPTZFLKAVYKT-LURJTMIESA-N -2 3 297.279 1.547 20 0 CDADHL Cc1ccc([O-])c(NC(=O)C(=O)c2ccc([O-])cc2)n1 ZINC000438879132 391976479 /nfs/dbraw/zinc/97/64/79/391976479.db2.gz DMJINAUBUIHCFK-UHFFFAOYSA-N -2 3 272.260 1.623 20 0 CDADHL CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000645955974 393431409 /nfs/dbraw/zinc/43/14/09/393431409.db2.gz PSYGOIREGHWCGI-HTQZYQBOSA-N -2 3 289.353 1.999 20 0 CDADHL CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000645941279 393411470 /nfs/dbraw/zinc/41/14/70/393411470.db2.gz YGROYSIHIGTCDJ-ZETCQYMHSA-N -2 3 275.326 1.753 20 0 CDADHL COc1ccc([O-])c(C(=O)N[C@H](CC(F)F)C(=O)[O-])c1 ZINC000261850747 140399008 /nfs/dbraw/zinc/39/90/08/140399008.db2.gz WUKJJAWUXIHVEP-MRVPVSSYSA-N -2 3 289.234 1.239 20 0 CDADHL CCOc1ccc(OCC(=O)N=c2ccc([O-])n[n-]2)cc1 ZINC000361959392 159024530 /nfs/dbraw/zinc/02/45/30/159024530.db2.gz ZNDYMNSJSZYMRR-UHFFFAOYSA-N -2 3 289.291 1.020 20 0 CDADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@]12C[C@H]1CCC2 ZINC000656719409 413597659 /nfs/dbraw/zinc/59/76/59/413597659.db2.gz XESGFAUELHATCM-LHLIQPBNSA-N -2 3 288.350 1.062 20 0 CDADHL O=C([O-])c1csc(S(=O)(=O)[N-]CC2CCCC2)c1 ZINC000037251709 173063914 /nfs/dbraw/zinc/06/39/14/173063914.db2.gz VFXJYJBKKWKIRH-UHFFFAOYSA-N -2 3 289.378 1.915 20 0 CDADHL CC(C)(C)CN(CC(=O)[O-])C(=O)c1ccccc1[O-] ZINC000659785032 414112336 /nfs/dbraw/zinc/11/23/36/414112336.db2.gz NNYGUKFJBVDOSK-UHFFFAOYSA-N -2 3 265.309 1.965 20 0 CDADHL CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000663419458 414241290 /nfs/dbraw/zinc/24/12/90/414241290.db2.gz HYJKPLRINNXMTA-MRVPVSSYSA-N -2 3 275.326 1.753 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]CCC2CC2)oc1C(=O)[O-] ZINC000663421910 414245320 /nfs/dbraw/zinc/24/53/20/414245320.db2.gz CRJACEKCAQQKTM-UHFFFAOYSA-N -2 3 273.310 1.365 20 0 CDADHL CC(C)(C)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000040493921 174293457 /nfs/dbraw/zinc/29/34/57/174293457.db2.gz CSTAOBAPQGHFEJ-UHFFFAOYSA-N -2 3 261.299 1.302 20 0 CDADHL COc1ccc(C(=O)N[C@]2(C(=O)[O-])CCSC2)c([O-])c1 ZINC000043508482 175059859 /nfs/dbraw/zinc/05/98/59/175059859.db2.gz RCQRJOYVCIKRFQ-CYBMUJFWSA-N -2 3 297.332 1.091 20 0 CDADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2C)cc1C(=O)[O-] ZINC000517931057 260322885 /nfs/dbraw/zinc/32/28/85/260322885.db2.gz VEENLZSFCZGCCY-XVKPBYJWSA-N -2 3 287.337 1.753 20 0 CDADHL C[C@@H](CNC(=O)c1ccc2c(c1[O-])CCCC2)C(=O)[O-] ZINC000655558608 423975881 /nfs/dbraw/zinc/97/58/81/423975881.db2.gz IDPWSPGYUXDNJV-VIFPVBQESA-N -2 3 277.320 1.722 20 0 CDADHL CCc1cc(=O)[n-]c(CN(CCC(=O)[O-])CC2CC2)n1 ZINC000652467286 424463299 /nfs/dbraw/zinc/46/32/99/424463299.db2.gz RSLPGCBCKDUIRZ-UHFFFAOYSA-N -2 3 279.340 1.431 20 0 CDADHL Cc1ccc([O-])c(C(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])c1 ZINC000653318482 424563469 /nfs/dbraw/zinc/56/34/69/424563469.db2.gz MCJKZFNBWVVEBO-MWLCHTKSSA-N -2 3 263.293 1.778 20 0 CDADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(C)c(C)c1[O-] ZINC000523560967 281097902 /nfs/dbraw/zinc/09/79/02/281097902.db2.gz OIQLYEKOZGAGHL-LLVKDONJSA-N -2 3 289.335 1.251 20 0 CDADHL CC[C@H](Sc1cc(C)ncc1-c1nnn[n-]1)C(=O)[O-] ZINC001590483638 1173430464 /nfs/dbraw/zinc/43/04/64/1173430464.db2.gz ZMPLAMJMFCPXPO-QMMMGPOBSA-N -2 3 279.325 1.525 20 0 CDADHL CC[C@H](Sc1cc(C)ncc1-c1nn[n-]n1)C(=O)[O-] ZINC001590483638 1173430467 /nfs/dbraw/zinc/43/04/67/1173430467.db2.gz ZMPLAMJMFCPXPO-QMMMGPOBSA-N -2 3 279.325 1.525 20 0 CDADHL CCCc1cc(=O)n(-c2oc(C)nc2-c2nn[n-]n2)[n-]1 ZINC001590567752 1173465523 /nfs/dbraw/zinc/46/55/23/1173465523.db2.gz RPCRNBWICLGFLF-UHFFFAOYSA-N -2 3 275.272 1.056 20 0 CDADHL Cc1cc(-c2nn[n-]n2)cc(N[C@H](C(=O)[O-])C(C)C)n1 ZINC001591860688 1173725309 /nfs/dbraw/zinc/72/53/09/1173725309.db2.gz XABCRBOXWNZICW-JTQLQIEISA-N -2 3 276.300 1.091 20 0 CDADHL CCc1nc(=NCCCN2CCC(C(=O)[O-])CC2)s[n-]1 ZINC000564090976 316421941 /nfs/dbraw/zinc/42/19/41/316421941.db2.gz XEOVRQBKBRCTAU-UHFFFAOYSA-N -2 3 298.412 1.121 20 0 CDADHL CCc1cnc(C[N-]S(=O)(=O)c2ccccc2[O-])o1 ZINC000231661249 482678569 /nfs/dbraw/zinc/67/85/69/482678569.db2.gz CEFIWHHLIKSBLZ-UHFFFAOYSA-N -2 3 282.321 1.421 20 0 CDADHL [O-]c1cc(F)cc(CNC2(c3nn[n-]n3)CCCC2)c1 ZINC000681165167 482726299 /nfs/dbraw/zinc/72/62/99/482726299.db2.gz HPXACFANCUAZDW-UHFFFAOYSA-N -2 3 277.303 1.604 20 0 CDADHL C[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)[O-] ZINC000737714591 574721253 /nfs/dbraw/zinc/72/12/53/574721253.db2.gz QJCXLYLZVWIOPX-GSVOUGTGSA-N -2 3 252.053 1.951 20 0 CDADHL Cc1cc(F)cc2c(=O)c(C(=O)N[C@H](C)C(=O)[O-])c[n-]c12 ZINC000738230026 576051259 /nfs/dbraw/zinc/05/12/59/576051259.db2.gz NZTRSUGARBLNGG-SSDOTTSWSA-N -2 3 292.266 1.179 20 0 CDADHL CC(C)c1ccc(C(=O)NCCC(=O)[O-])c([O-])c1 ZINC000817985880 597209885 /nfs/dbraw/zinc/20/98/85/597209885.db2.gz GGNCJONTUHWEQU-UHFFFAOYSA-N -2 3 251.282 1.720 20 0 CDADHL COc1cc(C(=O)N2CCC[C@H]2C(=O)[O-])cc(OC)c1[O-] ZINC000820759252 598057296 /nfs/dbraw/zinc/05/72/96/598057296.db2.gz LFWXTCOQLMQAIW-VIFPVBQESA-N -2 3 295.291 1.099 20 0 CDADHL C[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C1CC1 ZINC000124812424 599773789 /nfs/dbraw/zinc/77/37/89/599773789.db2.gz GRYAWWZSRGAFHG-SSDOTTSWSA-N -2 3 273.310 1.302 20 0 CDADHL C[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(C)(C)C ZINC000125225619 600635677 /nfs/dbraw/zinc/63/56/77/600635677.db2.gz DLBZLJIUMHHMSI-MRVPVSSYSA-N -2 3 289.353 1.938 20 0 CDADHL CC[C@](C)(CC(=O)[O-])[N-]C(=O)C(F)(F)C(F)F ZINC000828617402 601288615 /nfs/dbraw/zinc/28/86/15/601288615.db2.gz CFPWEWSAZWHUNG-MRVPVSSYSA-N -2 3 259.199 1.646 20 0 CDADHL O=C([O-])c1ccc(C(=O)NCc2ccc([O-])c(F)c2)cn1 ZINC000833145251 604370895 /nfs/dbraw/zinc/37/08/95/604370895.db2.gz GXPPHBZVJDEDAN-UHFFFAOYSA-N -2 3 290.250 1.555 20 0 CDADHL CC(C)C[C@H](CNC(=O)c1ccc(O)cc1[O-])C(=O)[O-] ZINC000094702348 605756081 /nfs/dbraw/zinc/75/60/81/605756081.db2.gz ICJPQIQLBOEEKU-SECBINFHSA-N -2 3 281.308 1.575 20 0 CDADHL C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC000903026523 625803512 /nfs/dbraw/zinc/80/35/12/625803512.db2.gz QNZPSHVSSSGKNP-NKWVEPMBSA-N -2 3 290.366 1.308 20 0 CDADHL O=C([O-])[C@@H]1C[C@@H]2C[C@H]([N-]S(=O)(=O)c3ccco3)[C@@H]2C1 ZINC000903538501 626016084 /nfs/dbraw/zinc/01/60/84/626016084.db2.gz WIRQDKFEVZWNSW-KYXWUPHJSA-N -2 3 285.321 1.057 20 0 CDADHL CC[C@@H](C)CO[N-]C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000908352852 628151954 /nfs/dbraw/zinc/15/19/54/628151954.db2.gz MPDNDXJPIGZGMW-MRVPVSSYSA-N -2 3 265.313 1.767 20 0 CDADHL C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000909798646 628667073 /nfs/dbraw/zinc/66/70/73/628667073.db2.gz JDAYXGQGIISLHU-WPRPVWTQSA-N -2 3 281.283 1.395 20 0 CDADHL C[C@@H](CC(=O)[O-])CC(=O)NCc1ccc([O-])c(F)c1 ZINC000909922824 628776461 /nfs/dbraw/zinc/77/64/61/628776461.db2.gz JKDFTYOKJWTQNR-MRVPVSSYSA-N -2 3 269.272 1.648 20 0 CDADHL O=C([O-])[C@H](F)C1CN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000910127412 628872182 /nfs/dbraw/zinc/87/21/82/628872182.db2.gz GPUNEEOSRQMPOF-SNVBAGLBSA-N -2 3 287.674 1.540 20 0 CDADHL O=C([O-])c1ccccc1CCC(=O)[N-]OC[C@H]1CCOC1 ZINC000911803491 629533602 /nfs/dbraw/zinc/53/36/02/629533602.db2.gz RVKKGQPUXLFSTE-NSHDSACASA-N -2 3 293.319 1.402 20 0 CDADHL CCO[N-]C(=O)C[C@@H](C(=O)[N-]OCC)c1ccc(C)cc1 ZINC000929712020 630711096 /nfs/dbraw/zinc/71/10/96/630711096.db2.gz JEGDDFIBTWTTDK-CYBMUJFWSA-N -2 3 294.351 1.604 20 0 CDADHL CC(C)C[C@@H](C)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871993025 685759796 /nfs/dbraw/zinc/75/97/96/685759796.db2.gz DIUMTBUEGZEOPX-MRVPVSSYSA-N -2 3 275.326 1.691 20 0 CDADHL CC1(C)C[C@@]1(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000706543296 686600637 /nfs/dbraw/zinc/60/06/37/686600637.db2.gz KXTWFZJNVCRGIK-LBPRGKRZSA-N -2 3 287.337 1.692 20 0 CDADHL CC(C)C[C@H](Nc1cc(-c2nnn[n-]2)ccn1)C(=O)[O-] ZINC000103569928 1161041419 /nfs/dbraw/zinc/04/14/19/1161041419.db2.gz SNIJYDKZRWBLQC-VIFPVBQESA-N -2 3 276.300 1.173 20 0 CDADHL CC(C)C[C@H](Nc1cc(-c2nn[n-]n2)ccn1)C(=O)[O-] ZINC000103569928 1161041424 /nfs/dbraw/zinc/04/14/24/1161041424.db2.gz SNIJYDKZRWBLQC-VIFPVBQESA-N -2 3 276.300 1.173 20 0 CDADHL CC1(C)CO[C@H](CC(=O)[N-]OCCCC(=O)[O-])C1 ZINC001604547155 1163227518 /nfs/dbraw/zinc/22/75/18/1163227518.db2.gz JCKVDCPXZZKNKY-SECBINFHSA-N -2 3 259.302 1.104 20 0 CDADHL CC(C)(CS(=O)(=O)[N-]c1cc(F)ccc1[O-])C(=O)[O-] ZINC001609677795 1165035939 /nfs/dbraw/zinc/03/59/39/1165035939.db2.gz FDZGDVOKWNBOGR-UHFFFAOYSA-N -3 3 291.300 1.384 20 0 CDADHL CC[C@@H](Sc1cc(C)ncc1-c1nnn[n-]1)C(=O)[O-] ZINC001590483636 1173430732 /nfs/dbraw/zinc/43/07/32/1173430732.db2.gz ZMPLAMJMFCPXPO-MRVPVSSYSA-N -2 3 279.325 1.525 20 0 CDADHL CC[C@@H](Sc1cc(C)ncc1-c1nn[n-]n1)C(=O)[O-] ZINC001590483636 1173430738 /nfs/dbraw/zinc/43/07/38/1173430738.db2.gz ZMPLAMJMFCPXPO-MRVPVSSYSA-N -2 3 279.325 1.525 20 0 CDADHL C[C@H](Nc1c(F)cc(-c2nn[n-]n2)cc1F)C(=O)[O-] ZINC001591770642 1173698494 /nfs/dbraw/zinc/69/84/94/1173698494.db2.gz BVWCBMSVOFIBLS-BYPYZUCNSA-N -2 3 269.211 1.030 20 0 CDADHL Cc1cc(-c2nnn[n-]2)cc(N[C@H](C(=O)[O-])C(C)C)n1 ZINC001591860688 1173725305 /nfs/dbraw/zinc/72/53/05/1173725305.db2.gz XABCRBOXWNZICW-JTQLQIEISA-N -2 3 276.300 1.091 20 0 CDADHL Cc1ccnc(N[C@@H]2CC[C@H](C(=O)[O-])C2)c1-c1nnn[n-]1 ZINC001592275660 1173843263 /nfs/dbraw/zinc/84/32/63/1173843263.db2.gz SGOGIJKSEHPENU-DTWKUNHWSA-N -2 3 288.311 1.235 20 0 CDADHL Cc1ccnc(N[C@@H]2CC[C@H](C(=O)[O-])C2)c1-c1nn[n-]n1 ZINC001592275660 1173843265 /nfs/dbraw/zinc/84/32/65/1173843265.db2.gz SGOGIJKSEHPENU-DTWKUNHWSA-N -2 3 288.311 1.235 20 0 CDADHL O=C([O-])c1coc(-c2cccc(-c3nnn[n-]3)c2)c1 ZINC001593282862 1174048818 /nfs/dbraw/zinc/04/88/18/1174048818.db2.gz FQAVOBZFJNSNNG-UHFFFAOYSA-N -2 3 256.221 1.825 20 0 CDADHL O=C([O-])c1coc(-c2cccc(-c3nn[n-]n3)c2)c1 ZINC001593282862 1174048821 /nfs/dbraw/zinc/04/88/21/1174048821.db2.gz FQAVOBZFJNSNNG-UHFFFAOYSA-N -2 3 256.221 1.825 20 0 CDADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c[nH]c1=O ZINC001600284212 1174437575 /nfs/dbraw/zinc/43/75/75/1174437575.db2.gz XUFMMTXAUSUZJU-UHFFFAOYSA-N -2 3 298.276 1.188 20 0 CDADHL Cc1cc(=O)[n-]c(N2Cc3ccccc3[C@H](C(=O)[O-])C2)n1 ZINC001600285573 1174437833 /nfs/dbraw/zinc/43/78/33/1174437833.db2.gz NOMBIRYTZAEIOZ-GFCCVEGCSA-N -2 3 285.303 1.679 20 0 CDADHL Cc1ccc(C[N-]S(=O)(=O)c2occc2C(=O)[O-])o1 ZINC001600417943 1174469811 /nfs/dbraw/zinc/46/98/11/1174469811.db2.gz MPABEECERDWKHX-UHFFFAOYSA-N -2 3 285.277 1.358 20 0 CDADHL Cn1cc(NC(=O)NCc2ncccc2[O-])cc1C(=O)[O-] ZINC001600965702 1174683207 /nfs/dbraw/zinc/68/32/07/1174683207.db2.gz KENSSIKRUNKKJU-UHFFFAOYSA-N -2 3 290.279 1.146 20 0 CDADHL O=C([O-])COc1cccc(C(=O)Nc2ncccc2[O-])c1 ZINC001602091313 1175129284 /nfs/dbraw/zinc/12/92/84/1175129284.db2.gz CKVGUGGJKAAWJE-UHFFFAOYSA-N -2 3 288.259 1.503 20 0 CDADHL CCc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001610060188 1165199631 /nfs/dbraw/zinc/19/96/31/1165199631.db2.gz HIUSDBMRDXDZJN-NSHDSACASA-N -2 3 277.320 1.891 20 0 CDADHL Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC001610560982 1165354879 /nfs/dbraw/zinc/35/48/79/1165354879.db2.gz RYISZKBMXFTKJQ-JGVFFNPUSA-N -2 3 295.295 1.026 20 0 CDADHL C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC000202353658 1166538192 /nfs/dbraw/zinc/53/81/92/1166538192.db2.gz OEOVCGLDCFQYML-UHFFFAOYSA-N -2 3 267.665 1.085 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCC[C@@H]21 ZINC001602489138 1167821739 /nfs/dbraw/zinc/82/17/39/1167821739.db2.gz TXWHONJDPORVFQ-SRSLHRDFSA-N -2 3 271.294 1.055 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1cc2ccncc2[nH]1 ZINC001152587552 925690965 /nfs/dbraw/zinc/69/09/65/925690965.db2.gz GMDOXPMFXSXFGD-UHFFFAOYSA-N -2 3 297.251 1.251 20 0 CDADHL O=P([O-])([O-])CCOC1CC(OCc2ccccc2)C1 ZINC001224606525 941775267 /nfs/dbraw/zinc/77/52/67/941775267.db2.gz PRUNCSNXMYSFTF-UHFFFAOYSA-N -2 3 286.264 1.929 20 0 CDADHL C[C@H](Oc1nc(=O)[n-]c(=O)[n-]1)c1cccc(N(C)C)c1 ZINC001227569685 942190611 /nfs/dbraw/zinc/19/06/11/942190611.db2.gz DYMBBLPTZROCDS-QMMMGPOBSA-N -2 3 276.296 1.489 20 0 CDADHL CC(=O)[C@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1ccccc1 ZINC001233940722 943696721 /nfs/dbraw/zinc/69/67/21/943696721.db2.gz YQBQFOVSWFPURH-LBPRGKRZSA-N -2 3 284.275 1.355 20 0 CDADHL C[C@@H]1CC[C@@H](C)[C@@H](Oc2[n-]c(=O)nc3cn[n-]c32)C1 ZINC001233940589 943697003 /nfs/dbraw/zinc/69/70/03/943697003.db2.gz XUROBSLTJKSVFQ-MRTMQBJTSA-N -2 3 262.313 1.850 20 0 CDADHL COCCS(=O)(=O)[N-]c1cc2ccccc2cc1[O-] ZINC001259971439 945767147 /nfs/dbraw/zinc/76/71/47/945767147.db2.gz XSWYEDHFVCMYPW-UHFFFAOYSA-N -2 3 281.333 1.934 20 0 CDADHL CC(C)(C)OC(=O)c1cc(NC(=O)CCCC(=O)[O-])[n-]n1 ZINC001602916224 971871460 /nfs/dbraw/zinc/87/14/60/971871460.db2.gz ZDVMYPGVJVLPOW-UHFFFAOYSA-N -2 3 297.311 1.558 20 0 CDADHL CC(C)(C)OC(=O)c1cc(NC(=O)CCCC(=O)[O-])n[n-]1 ZINC001602916224 971871467 /nfs/dbraw/zinc/87/14/67/971871467.db2.gz ZDVMYPGVJVLPOW-UHFFFAOYSA-N -2 3 297.311 1.558 20 0 CDADHL O=C([O-])C1([N-]C(=O)C(F)(F)c2nccs2)CCCC1 ZINC001594880510 954427089 /nfs/dbraw/zinc/42/70/89/954427089.db2.gz LGJHTYYWVVXJFC-UHFFFAOYSA-N -2 3 290.291 1.749 20 0 CDADHL CC1(C)C[C@@]1(C(=O)[O-])C(=O)NCc1ccc([O-])c(F)c1 ZINC001589217298 956732214 /nfs/dbraw/zinc/73/22/14/956732214.db2.gz HELQPOAAGHOVLS-AWEZNQCLSA-N -2 3 281.283 1.648 20 0 CDADHL O=C([O-])c1cc(NC(=O)c2nnc3ccccc3c2[O-])[nH]n1 ZINC001574949522 957961158 /nfs/dbraw/zinc/96/11/58/957961158.db2.gz NKXYYTRMJLVDIL-UHFFFAOYSA-N -2 3 299.246 1.009 20 0 CDADHL O=C([O-])C1(CNC(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000166953189 959328234 /nfs/dbraw/zinc/32/82/34/959328234.db2.gz GXTGJOPRKDSUEK-UHFFFAOYSA-N -2 3 286.287 1.123 20 0 CDADHL O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2n[n-]c(-c3ccco3)n2)C1 ZINC001574614222 962207660 /nfs/dbraw/zinc/20/76/60/962207660.db2.gz JEYCKNKBWTZCFM-JGVFFNPUSA-N -2 3 290.279 1.504 20 0 CDADHL COc1ccc(C(=O)N2CC[C@@H]3[C@H](C2)[C@H]3C(=O)[O-])c([O-])c1 ZINC001550929767 966286405 /nfs/dbraw/zinc/28/64/05/966286405.db2.gz PFGRWQLEJJTTFO-CDMKHQONSA-N -2 3 291.303 1.194 20 0 CDADHL CC(C)[C@@]1(C)C[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000397196764 972977696 /nfs/dbraw/zinc/97/76/96/972977696.db2.gz SFNWEGHKKZAXTH-BXKDBHETSA-N -2 3 287.337 1.691 20 0 CDADHL C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CS1 ZINC000397811972 973023168 /nfs/dbraw/zinc/02/31/68/973023168.db2.gz POFPTJBIFPXAFA-RNFRBKRXSA-N -2 3 291.350 1.150 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]CCc2ccoc2)c1 ZINC000692796455 976548293 /nfs/dbraw/zinc/54/82/93/976548293.db2.gz FZIPUTYREBWPBR-UHFFFAOYSA-N -2 3 285.277 1.092 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]CC2=CCCCC2)c1 ZINC000694151536 976669109 /nfs/dbraw/zinc/66/91/09/976669109.db2.gz JWJMDNAUVTVCHY-UHFFFAOYSA-N -2 3 285.321 1.757 20 0 CDADHL C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000694195514 976680581 /nfs/dbraw/zinc/68/05/81/976680581.db2.gz FTMGNVKHACGGBP-IUCAKERBSA-N -2 3 287.337 1.692 20 0 CDADHL O=C([O-])C1=CC[C@@H](NC(=O)c2cc([O-])ccc2Cl)C1 ZINC000695012833 976766736 /nfs/dbraw/zinc/76/67/36/976766736.db2.gz DGWDEKLLCIVXKB-MRVPVSSYSA-N -2 3 281.695 1.949 20 0 CDADHL CCCC[C@H](NC(=O)CCc1c(C)nc[n-]c1=O)C(=O)[O-] ZINC001595635310 981902245 /nfs/dbraw/zinc/90/22/45/981902245.db2.gz MIGZHFFOAZILDC-NSHDSACASA-N -2 3 295.339 1.183 20 0 CDADHL CC(=O)Nc1ccc([O-])c(C(=O)NC2(C(=O)[O-])CCC2)c1 ZINC001589199478 985632835 /nfs/dbraw/zinc/63/28/35/985632835.db2.gz NWZRYAORZTWHFX-UHFFFAOYSA-N -2 3 292.291 1.088 20 0 CDADHL CC(=O)c1ccc(C(=O)N[C@@H](CC(=O)[O-])C2CC2)cc1[O-] ZINC001589275975 985986118 /nfs/dbraw/zinc/98/61/18/985986118.db2.gz OERXADTZLIMAGH-LBPRGKRZSA-N -2 3 291.303 1.578 20 0 CDADHL CCc1cccc(C(=O)N(OC)[C@H](C)CC(=O)[O-])c1[O-] ZINC001597570605 988348019 /nfs/dbraw/zinc/34/80/19/988348019.db2.gz RRIVROHBOHEDPB-SECBINFHSA-N -2 3 281.308 1.821 20 0 CDADHL CC[C@@H](C)[C@@H](OC(=O)c1cccc2nn[n-]c21)C(=O)[O-] ZINC001604943407 1163391270 /nfs/dbraw/zinc/39/12/70/1163391270.db2.gz JOHNJCJYLKPHCR-RDDDGLTNSA-N -2 3 277.280 1.614 20 0 CDADHL CC[C@@H](C)[C@@H](OC(=O)c1cccc2n[n-]nc21)C(=O)[O-] ZINC001604943407 1163391272 /nfs/dbraw/zinc/39/12/72/1163391272.db2.gz JOHNJCJYLKPHCR-RDDDGLTNSA-N -2 3 277.280 1.614 20 0 CDADHL CC1(C)CC[C@@H](CC(=O)[N-]OCCCC(=O)[O-])OC1 ZINC001593874257 996688764 /nfs/dbraw/zinc/68/87/64/996688764.db2.gz QACMUGIYLDSAFR-JTQLQIEISA-N -2 3 273.329 1.494 20 0 CDADHL CCCCC1([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC001605253279 1163504438 /nfs/dbraw/zinc/50/44/38/1163504438.db2.gz QJVRAMAAEHEMEQ-UHFFFAOYSA-N -2 3 287.337 1.979 20 0 CDADHL CCc1cccc(C(=O)N2CCSC[C@@H]2C(=O)[O-])c1[O-] ZINC001605826056 1163680966 /nfs/dbraw/zinc/68/09/66/1163680966.db2.gz TXYWSBOKNHIARE-LLVKDONJSA-N -2 3 295.360 1.597 20 0 CDADHL O=C(CSC1CC1)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001592902266 1174000667 /nfs/dbraw/zinc/00/06/67/1174000667.db2.gz USRXCSNOZKZXDY-UHFFFAOYSA-N -2 3 291.336 1.172 20 0 CDADHL C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccccc1F ZINC000133160124 342069848 /nfs/dbraw/zinc/06/98/48/342069848.db2.gz WGVRYCMGFPELNV-SFYZADRCSA-N -2 3 275.301 1.213 20 0 CDADHL CCOC(=O)c1ncc(NC(=O)c2cc(C)ccc2[O-])[n-]1 ZINC000617877382 344852447 /nfs/dbraw/zinc/85/24/47/344852447.db2.gz MHPHPAZMKSOIPU-UHFFFAOYSA-N -2 3 289.291 1.853 20 0 CDADHL O=C([O-])[C@H]1CCC[C@@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000085321350 179015045 /nfs/dbraw/zinc/01/50/45/179015045.db2.gz WHVQOYHKHUCCQO-WPRPVWTQSA-N -2 3 265.265 1.081 20 0 CDADHL O=C([O-])[C@@H]1C=C[C@@H]([N-]S(=O)(=O)c2ccccc2F)C1 ZINC000092181366 180338258 /nfs/dbraw/zinc/33/82/58/180338258.db2.gz ABXXJAJRZXFFLF-RKDXNWHRSA-N -2 3 285.296 1.133 20 0 CDADHL Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)[N-]OCC(C)C ZINC000123165919 187075340 /nfs/dbraw/zinc/07/53/40/187075340.db2.gz WHJJZUCDMZBQCZ-UHFFFAOYSA-N -2 3 281.356 1.693 20 0 CDADHL COc1ccc([N-]S(=O)(=O)C[C@H]2CCCO2)c([O-])c1 ZINC000223883677 538807566 /nfs/dbraw/zinc/80/75/66/538807566.db2.gz LACNNMLBASOCMS-SNVBAGLBSA-N -2 3 287.337 1.322 20 0 CDADHL C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000054333947 357317414 /nfs/dbraw/zinc/31/74/14/357317414.db2.gz DLYIJTASXMFCGN-LURJTMIESA-N -2 3 295.719 1.478 20 0 CDADHL O=S(=O)([N-]c1cc(F)ccc1[O-])N1CCCC1 ZINC000085203605 358255084 /nfs/dbraw/zinc/25/50/84/358255084.db2.gz MQUXTYSURGEGSJ-UHFFFAOYSA-N -2 3 260.290 1.284 20 0 CDADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]C(C)C ZINC000580441432 359616781 /nfs/dbraw/zinc/61/67/81/359616781.db2.gz TZWZKUCIIJTJCF-UHFFFAOYSA-N -2 3 291.300 1.219 20 0 CDADHL CC[C@H](CC[N-]S(=O)(=O)c1c(C)noc1C)C(=O)[O-] ZINC000297218166 200116860 /nfs/dbraw/zinc/11/68/60/200116860.db2.gz NVMRSJFMYVJGBR-SECBINFHSA-N -2 3 290.341 1.071 20 0 CDADHL CC[C@@H](CC[N-]S(=O)(=O)c1cnc(C)s1)C(=O)[O-] ZINC000297239868 200123006 /nfs/dbraw/zinc/12/30/06/200123006.db2.gz PRZBXCQNXZXNKW-QMMMGPOBSA-N -2 3 292.382 1.231 20 0 CDADHL O=S(=O)(C[C@H]1CCCCO1)[N-]c1cc(F)ccc1[O-] ZINC000176580448 189000810 /nfs/dbraw/zinc/00/08/10/189000810.db2.gz QQGUTPVTFLDKRY-SNVBAGLBSA-N -2 3 289.328 1.842 20 0 CDADHL Cc1cc([O-])c(C(C)C)cc1C(=O)N=c1[n-]ncn1C ZINC000436642944 361549070 /nfs/dbraw/zinc/54/90/70/361549070.db2.gz KVWHAYFHRZSIQG-UHFFFAOYSA-N -2 3 274.324 1.627 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccco2)o1 ZINC000034972413 364383865 /nfs/dbraw/zinc/38/38/65/364383865.db2.gz KKKGSBHNZWIIGE-UHFFFAOYSA-N -2 3 271.250 1.049 20 0 CDADHL Cc1csc(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)(C)C)c1 ZINC000566840239 370823935 /nfs/dbraw/zinc/82/39/35/370823935.db2.gz ADSBNWRHUPLIBR-SECBINFHSA-N -2 3 291.394 1.834 20 0 CDADHL COCCS(=O)(=O)[N-]c1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000630424748 368924760 /nfs/dbraw/zinc/92/47/60/368924760.db2.gz VGURTBLSFAYPCC-NWDGAFQWSA-N -2 3 299.348 1.263 20 0 CDADHL CC[C@@](C)([N-]S(=O)(=O)c1cc(C)cs1)C(=O)[O-] ZINC000581009452 372785551 /nfs/dbraw/zinc/78/55/51/372785551.db2.gz NTGIUPFSOCHRTE-SNVBAGLBSA-N -2 3 277.367 1.588 20 0 CDADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCCC2CC2)c1 ZINC000162739746 483018092 /nfs/dbraw/zinc/01/80/92/483018092.db2.gz QXQQMZJDRXDLCB-UHFFFAOYSA-N -2 3 289.378 1.915 20 0 CDADHL COc1ccc(C(=O)N[C@H]2CCC[C@]2(C)C(=O)[O-])c([O-])c1 ZINC000164564983 375917769 /nfs/dbraw/zinc/91/77/69/375917769.db2.gz JRHKMVRQNIGIQT-WFASDCNBSA-N -2 3 293.319 1.774 20 0 CDADHL CCC[C@@H]([N-]S(=O)(=O)c1sccc1OC)C(=O)[O-] ZINC000262621256 190058776 /nfs/dbraw/zinc/05/87/76/190058776.db2.gz CSBPFCCHYFMLPB-SSDOTTSWSA-N -2 3 293.366 1.288 20 0 CDADHL CCC[C@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)C(=O)[O-] ZINC000647230023 390918472 /nfs/dbraw/zinc/91/84/72/390918472.db2.gz NOKWUIMGICURKO-NSHDSACASA-N -2 3 279.292 1.578 20 0 CDADHL C[C@H]1CCN(C(=O)c2ccc3n[n-]nc3c2)[C@@H](C(=O)[O-])C1 ZINC000125249577 391250289 /nfs/dbraw/zinc/25/02/89/391250289.db2.gz ZOENBFDLVVIQPP-QPUJVOFHSA-N -2 3 288.307 1.283 20 0 CDADHL O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccc([O-])cc1F ZINC000647800379 391662540 /nfs/dbraw/zinc/66/25/40/391662540.db2.gz ZYEHVLRUSJBMNU-UHFFFAOYSA-N -2 3 287.250 1.787 20 0 CDADHL CCc1cc(C(=O)N=c2nc3n([n-]2)CCCC3)ccc1[O-] ZINC000521202393 392942668 /nfs/dbraw/zinc/94/26/68/392942668.db2.gz CDIPGJXGMLEGKS-UHFFFAOYSA-N -2 3 286.335 1.557 20 0 CDADHL O=C([O-])CCC[N-]S(=O)(=O)c1ccc(Cl)c(F)c1 ZINC000650229586 397797600 /nfs/dbraw/zinc/79/76/00/397797600.db2.gz DFWREZLKYGAIIO-UHFFFAOYSA-N -2 3 295.719 1.622 20 0 CDADHL CC(C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000037264646 173073292 /nfs/dbraw/zinc/07/32/92/173073292.db2.gz JRVYNVQATZZGHJ-MRVPVSSYSA-N -2 3 275.326 1.691 20 0 CDADHL CCCS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000037396284 173176711 /nfs/dbraw/zinc/17/67/11/173176711.db2.gz YGUVUWNLKJQBLU-UHFFFAOYSA-N -2 3 261.274 1.676 20 0 CDADHL CC[C@@H](C)[C@H](NC(=O)c1ccc2n[n-]nc2c1)C(=O)[O-] ZINC000037448514 173216194 /nfs/dbraw/zinc/21/61/94/173216194.db2.gz UQBXEEZFFZAVNZ-HQJQHLMTSA-N -2 3 276.296 1.187 20 0 CDADHL COC[C@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000044476141 175178766 /nfs/dbraw/zinc/17/87/66/175178766.db2.gz IZOUCBFRVGWJEN-SSDOTTSWSA-N -2 3 293.366 1.007 20 0 CDADHL COc1cccc(C(=O)NC[C@H](CC(C)C)C(=O)[O-])c1[O-] ZINC000094702570 265249023 /nfs/dbraw/zinc/24/90/23/265249023.db2.gz UYYJQHPPZZAKEC-JTQLQIEISA-N -2 3 295.335 1.878 20 0 CDADHL Cc1csc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C(C)C)c1 ZINC000562643466 293163517 /nfs/dbraw/zinc/16/35/17/293163517.db2.gz JSKKTQRIZAUDLU-SECBINFHSA-N -2 3 291.394 1.692 20 0 CDADHL COc1ccc([O-])c(C(=O)N2CCC[C@@H](C)[C@H]2C(=O)[O-])c1 ZINC000234958807 295165003 /nfs/dbraw/zinc/16/50/03/295165003.db2.gz HQLDQIAAZUPALH-RNCFNFMXSA-N -2 3 293.319 1.726 20 0 CDADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cncc(F)c1 ZINC000391747297 323823176 /nfs/dbraw/zinc/82/31/76/323823176.db2.gz XUIUBMMMVVKAEP-SECBINFHSA-N -2 3 290.316 1.142 20 0 CDADHL CC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CCCC1 ZINC000578646702 323988466 /nfs/dbraw/zinc/98/84/66/323988466.db2.gz HCYCROBNINEHPC-UHFFFAOYSA-N -2 3 287.337 1.836 20 0 CDADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCSC2)cc1C(=O)[O-] ZINC000583379193 325163263 /nfs/dbraw/zinc/16/32/63/325163263.db2.gz KLAMHJQPBWWWLH-SSDOTTSWSA-N -2 3 291.350 1.070 20 0 CDADHL C[C@H](CNCc1cccc([O-])c1Br)C(=O)[O-] ZINC000656095376 482761110 /nfs/dbraw/zinc/76/11/10/482761110.db2.gz CDRZESDDWPLLEN-SSDOTTSWSA-N -2 3 288.141 1.965 20 0 CDADHL O=C([O-])CCN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000676233575 483444170 /nfs/dbraw/zinc/44/41/70/483444170.db2.gz LFTRSLKUYOIBNB-UHFFFAOYSA-N -2 3 277.320 1.762 20 0 CDADHL C[C@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1nccs1 ZINC001233939009 1161099240 /nfs/dbraw/zinc/09/92/40/1161099240.db2.gz GHOKXUFTSMQFKZ-YFKPBYRVSA-N -2 3 263.282 1.243 20 0 CDADHL Cc1ccc([O-])c(NC(=O)c2cc(C(=O)[O-])co2)n1 ZINC001600466590 1174485824 /nfs/dbraw/zinc/48/58/24/1174485824.db2.gz CCMMGJXDPFDLIH-UHFFFAOYSA-N -2 3 262.221 1.639 20 0 CDADHL CSc1ccc([O-])c(C(=O)N[C@@]2(C(=O)[O-])CCOC2)c1 ZINC000663134345 574428911 /nfs/dbraw/zinc/42/89/11/574428911.db2.gz ZJVUJPKHRJOUNM-ZDUSSCGKSA-N -2 3 297.332 1.088 20 0 CDADHL COCCN(CCC(=O)[O-])C(=O)c1cc(C)ccc1[O-] ZINC000737799375 574753728 /nfs/dbraw/zinc/75/37/28/574753728.db2.gz JLQDMAQWHHXZQZ-UHFFFAOYSA-N -2 3 281.308 1.264 20 0 CDADHL O=C([O-])[C@@]1(F)CCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001601717267 1174965755 /nfs/dbraw/zinc/96/57/55/1174965755.db2.gz VIGOXNRRMOSOBM-CYBMUJFWSA-N -2 3 281.287 1.058 20 0 CDADHL COc1ccc(C(=O)NCCSCCC(=O)[O-])c([O-])c1 ZINC000737925928 575957502 /nfs/dbraw/zinc/95/75/02/575957502.db2.gz AJGHYYKIUYJCHH-UHFFFAOYSA-N -2 3 299.348 1.339 20 0 CDADHL Cn1[n-]c(COC(=O)c2cc3ccsc3[n-]2)nc1=O ZINC000765411603 576018371 /nfs/dbraw/zinc/01/83/71/576018371.db2.gz XGKBXPZJCHEJMO-UHFFFAOYSA-N -2 3 278.293 1.008 20 0 CDADHL CC(=O)Nc1ccc([O-])c(C(=O)N(CC(=O)[O-])C(C)C)c1 ZINC000819788928 598073797 /nfs/dbraw/zinc/07/37/97/598073797.db2.gz SQUNONNAQAAYDI-UHFFFAOYSA-N -2 3 294.307 1.286 20 0 CDADHL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CC(F)F)c1 ZINC000136564456 601388068 /nfs/dbraw/zinc/38/80/68/601388068.db2.gz IXEGKVLXDVATQN-UHFFFAOYSA-N -2 3 299.682 1.582 20 0 CDADHL CC(C)(NC(=O)[O-])C(=O)Nc1cc(F)ccc1[O-] ZINC000824025379 604795302 /nfs/dbraw/zinc/79/53/02/604795302.db2.gz PCXBRNUABOGAAM-UHFFFAOYSA-N -2 3 256.233 1.516 20 0 CDADHL CC(C)Cn1[n-]c(CC(=O)[N-]OC2CCCCC2)cc1=O ZINC000935502610 617436262 /nfs/dbraw/zinc/43/62/62/617436262.db2.gz XKQZKKNXCWJZLH-UHFFFAOYSA-N -2 3 295.383 1.755 20 0 CDADHL CC(C)Cn1[n-]c(CC(=O)[N-]OC/C=C/Cl)cc1=O ZINC000936059028 617704344 /nfs/dbraw/zinc/70/43/44/617704344.db2.gz KQHLBOOUUBGRJX-ONEGZZNKSA-N -2 3 287.747 1.175 20 0 CDADHL O=C(NCCCc1c[n-][nH]c1=O)c1cccc(Cl)c1[O-] ZINC000898736369 621856660 /nfs/dbraw/zinc/85/66/60/621856660.db2.gz CJXSWRIATRZLGN-MRVPVSSYSA-N -2 3 295.726 1.287 20 0 CDADHL CS(C)(=O)=NS(=O)(=O)[N-]c1c([O-])cccc1Cl ZINC000901673218 624391104 /nfs/dbraw/zinc/39/11/04/624391104.db2.gz HNOUFLAEHNUIIH-UHFFFAOYSA-N -2 3 298.773 1.430 20 0 CDADHL CC[C@@H](CNC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909871631 628718774 /nfs/dbraw/zinc/71/87/74/628718774.db2.gz OJLLTTCASIRLMA-VIFPVBQESA-N -2 3 269.272 1.301 20 0 CDADHL C[C@@H]1CN(C(=O)Cc2ccc([O-])c(F)c2)C[C@@]1(C)C(=O)[O-] ZINC000910255750 628933972 /nfs/dbraw/zinc/93/39/72/628933972.db2.gz IPYDFRPNDMIJKD-RFAUZJTJSA-N -2 3 295.310 1.643 20 0 CDADHL CC[C@H](C)[C@H](NC(=O)c1ccc(C)cc1[O-])C(=O)[O-] ZINC000019807187 693969383 /nfs/dbraw/zinc/96/93/83/693969383.db2.gz VVRUODJKGRZOOL-CABZTGNLSA-N -2 3 265.309 1.930 20 0 CDADHL O=C([N-]O[C@@H]1CCCCO1)c1cc(=O)[n-]c(C2CC2)n1 ZINC000816913790 688554898 /nfs/dbraw/zinc/55/48/98/688554898.db2.gz TUTXVPWAOYJFPW-LLVKDONJSA-N -2 3 279.296 1.248 20 0 CDADHL CC[C@H]([N-]S(=O)(=O)c1cc(C)cnc1Cl)C(=O)[O-] ZINC000887329895 692695989 /nfs/dbraw/zinc/69/59/89/692695989.db2.gz RTCWBIHHEGAFII-ZETCQYMHSA-N -2 3 292.744 1.185 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]CCCCCCC(=O)[O-])o1 ZINC000841775005 692808536 /nfs/dbraw/zinc/80/85/36/692808536.db2.gz QTEVSOQKNQFTEK-UHFFFAOYSA-N -2 3 289.353 1.901 20 0 CDADHL CC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccco1 ZINC000829834731 692985662 /nfs/dbraw/zinc/98/56/62/692985662.db2.gz QZMBHKSKFRXGTM-JTQLQIEISA-N -2 3 261.299 1.201 20 0 CDADHL CN(CCCC(=O)[O-])C(=O)c1cc([O-])ccc1Cl ZINC000234286713 694725879 /nfs/dbraw/zinc/72/58/79/694725879.db2.gz WFYCEFXTCHQVRH-UHFFFAOYSA-N -2 3 271.700 1.982 20 0 CDADHL O=C([O-])c1cnc(N2Cc3nc(C4CC4)[n-]c(=O)c3C2)nc1 ZINC001608975518 1164700038 /nfs/dbraw/zinc/70/00/38/1164700038.db2.gz CAAPAWJBDWYRST-UHFFFAOYSA-N -2 3 299.290 1.068 20 0 CDADHL O=C([O-])c1cncc(NCCc2c(F)cc([O-])cc2F)n1 ZINC001608982105 1164704308 /nfs/dbraw/zinc/70/43/08/1164704308.db2.gz VXHIJXCTWMKWFX-UHFFFAOYSA-N -2 3 295.245 1.813 20 0 CDADHL Cc1ccc(-c2nnn[n-]2)nc1NCCC(C)(C)C(=O)[O-] ZINC001592113726 1173805523 /nfs/dbraw/zinc/80/55/23/1173805523.db2.gz ISZHXBQIMNVHAZ-UHFFFAOYSA-N -2 3 290.327 1.483 20 0 CDADHL Cc1nc(-c2nn[n-]n2)c(-n2[n-]c3c(c2=O)CCCC3)o1 ZINC001592336988 1173860558 /nfs/dbraw/zinc/86/05/58/1173860558.db2.gz LDOXXSDXBPNXBO-ZETCQYMHSA-N -2 3 287.283 1.056 20 0 CDADHL O=C(CSC1CC1)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001592902266 1174000663 /nfs/dbraw/zinc/00/06/63/1174000663.db2.gz USRXCSNOZKZXDY-UHFFFAOYSA-N -2 3 291.336 1.172 20 0 CDADHL O=C([O-])[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001593279225 1174048735 /nfs/dbraw/zinc/04/87/35/1174048735.db2.gz YGURFUBJTIYORB-FKQCQYRASA-N -2 3 293.714 1.795 20 0 CDADHL O=C([O-])[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001593279225 1174048740 /nfs/dbraw/zinc/04/87/40/1174048740.db2.gz YGURFUBJTIYORB-FKQCQYRASA-N -2 3 293.714 1.795 20 0 CDADHL Cc1nc2c(c(=O)[n-]1)CN([C@H](C(=O)[O-])c1cccnc1)C2 ZINC001600717303 1174577404 /nfs/dbraw/zinc/57/74/04/1174577404.db2.gz BPXNKQMQNFTIMY-LBPRGKRZSA-N -2 3 286.291 1.027 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]CCCCF)cc1C(=O)[O-] ZINC001600857922 1174645168 /nfs/dbraw/zinc/64/51/68/1174645168.db2.gz NYVGXIZNYYEBDB-UHFFFAOYSA-N -2 3 279.289 1.314 20 0 CDADHL O=C([O-])c1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cn1 ZINC001601360441 1174844966 /nfs/dbraw/zinc/84/49/66/1174844966.db2.gz ALUSMUKRGGIZCS-UHFFFAOYSA-N -2 3 290.250 1.806 20 0 CDADHL O=C([O-])c1cccc(NC(=O)c2cc(=O)[n-]cn2)c1 ZINC001602445484 1175243453 /nfs/dbraw/zinc/24/34/53/1175243453.db2.gz DROZFIAOVKXVNU-UHFFFAOYSA-N -2 3 259.221 1.133 20 0 CDADHL CC(C)[C@H](CNc1ncccc1-c1nnn[n-]1)C(=O)[O-] ZINC001603223150 1175518712 /nfs/dbraw/zinc/51/87/12/1175518712.db2.gz KTILVBGNOHTLBY-VIFPVBQESA-N -2 3 276.300 1.030 20 0 CDADHL CC(C)[C@H](CNc1ncccc1-c1nn[n-]n1)C(=O)[O-] ZINC001603223150 1175518717 /nfs/dbraw/zinc/51/87/17/1175518717.db2.gz KTILVBGNOHTLBY-VIFPVBQESA-N -2 3 276.300 1.030 20 0 CDADHL CC1(C(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001603748605 1175614945 /nfs/dbraw/zinc/61/49/45/1175614945.db2.gz RHZKEMLAMHOTRP-UHFFFAOYSA-N -2 3 259.269 1.077 20 0 CDADHL CCc1cc(=O)n(Cc2ccc(-c3nn[n-]n3)cc2)[n-]1 ZINC001604094357 1175755601 /nfs/dbraw/zinc/75/56/01/1175755601.db2.gz XDRWFLHHIJPKTF-UHFFFAOYSA-N -2 3 270.296 1.365 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@H]2CC=C(C(=O)[O-])C2)o1 ZINC000853069513 723618428 /nfs/dbraw/zinc/61/84/28/723618428.db2.gz PEZPIBYLQLCLPR-VIFPVBQESA-N -2 3 271.294 1.040 20 0 CDADHL CCCO[N-]C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001609216947 1164849414 /nfs/dbraw/zinc/84/94/14/1164849414.db2.gz SCGHDHFGDBQVSQ-SECBINFHSA-N -2 3 291.311 1.092 20 0 CDADHL CC1(C(=O)[O-])CN(Cc2c(F)ccc([O-])c2F)C1 ZINC001609812276 1165091543 /nfs/dbraw/zinc/09/15/43/1165091543.db2.gz SJXJEKYKRSCDMC-UHFFFAOYSA-N -2 3 257.236 1.577 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])C1(c2ccccn2)CC1 ZINC001176807224 914267875 /nfs/dbraw/zinc/26/78/75/914267875.db2.gz KUJFVTNGVMQQIT-UHFFFAOYSA-N -2 3 298.279 1.187 20 0 CDADHL Cc1cc(C(=O)NCc2nc([O-])cc(=O)[n-]2)c(C)o1 ZINC001647868059 1169069005 /nfs/dbraw/zinc/06/90/05/1169069005.db2.gz IBXVXPXKPZFAKF-UHFFFAOYSA-N -2 3 263.253 1.028 20 0 CDADHL COc1ccc(OC[C@@H](C)OCCP(=O)([O-])[O-])cc1 ZINC001224602745 909915896 /nfs/dbraw/zinc/91/58/96/909915896.db2.gz SZHQGPNJRFYFGO-SNVBAGLBSA-N -2 3 290.252 1.657 20 0 CDADHL O=P([O-])([O-])CCO[C@H]1CCCc2cccnc21 ZINC001224606375 909926661 /nfs/dbraw/zinc/92/66/61/909926661.db2.gz PBQGNBDQDCMHNS-JTQLQIEISA-N -2 3 257.226 1.653 20 0 CDADHL O=S(=O)([N-]c1cncc([O-])c1)C(Cl)(Cl)Cl ZINC001192001588 922855546 /nfs/dbraw/zinc/85/55/46/922855546.db2.gz QBQIPBUDUNOMMN-UHFFFAOYSA-N -2 3 291.543 1.857 20 0 CDADHL COC(=O)c1ccc([N-]S(=O)(=O)CC2CCC2)c([O-])c1 ZINC001193514218 923763377 /nfs/dbraw/zinc/76/33/77/923763377.db2.gz OKXWRYSNEJNBQZ-UHFFFAOYSA-N -2 3 299.348 1.721 20 0 CDADHL CCOC([O-])=NC(=S)N=c1[n-]nc(C(F)(F)F)n1C ZINC001195454707 924600744 /nfs/dbraw/zinc/60/07/44/924600744.db2.gz LCFKHACOYWXJHT-UHFFFAOYSA-N -2 3 297.262 1.277 20 0 CDADHL Cc1ccc(C(=O)N=c2[n-]cnn3cccc23)c([O-])c1 ZINC001148492879 932724155 /nfs/dbraw/zinc/72/41/55/932724155.db2.gz XGJACPKMEFMZCS-UHFFFAOYSA-N -2 3 268.276 1.418 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1ccn2ccccc12 ZINC001156475337 938372197 /nfs/dbraw/zinc/37/21/97/938372197.db2.gz ZVEZQRYHJJTRLI-UHFFFAOYSA-N -2 3 296.263 1.627 20 0 CDADHL Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(F)c([O-])c1 ZINC001160097694 938768594 /nfs/dbraw/zinc/76/85/94/938768594.db2.gz YOQBOAIXQTZAAT-UHFFFAOYSA-N -2 3 251.217 1.521 20 0 CDADHL Cc1ncc(Nc2cccc(CC(=O)[O-])c2)c(=O)[n-]1 ZINC001210071481 940661090 /nfs/dbraw/zinc/66/10/90/940661090.db2.gz DRXLUDLGRYSSLO-UHFFFAOYSA-N -2 3 259.265 1.861 20 0 CDADHL O=P([O-])([O-])CCOC[C@@H]1COc2ccccc2O1 ZINC001224603660 941774573 /nfs/dbraw/zinc/77/45/73/941774573.db2.gz AYBXYUDBMPCHGB-SECBINFHSA-N -2 3 274.209 1.021 20 0 CDADHL CCOC(=O)[C@H](CC(C)C)OCCP(=O)([O-])[O-] ZINC001224606520 941775301 /nfs/dbraw/zinc/77/53/01/941775301.db2.gz POZVCUMJHGKURD-VIFPVBQESA-N -2 3 268.246 1.159 20 0 CDADHL O=c1nc(O[C@H](c2cccnc2)C2CC2)[n-]c(=O)[n-]1 ZINC001227569518 942190812 /nfs/dbraw/zinc/19/08/12/942190812.db2.gz CEVKBEQMFWKNIL-VIFPVBQESA-N -2 3 260.253 1.208 20 0 CDADHL O=c1nc2cn[n-]c2c(OC2Cc3ccccc3C2)[n-]1 ZINC001233933466 943694057 /nfs/dbraw/zinc/69/40/57/943694057.db2.gz BMKUWBHMCMBNGR-UHFFFAOYSA-N -2 3 268.276 1.192 20 0 CDADHL C[C@H](CC(=O)[O-])Nc1ccc(-c2nn[n-]n2)cc1F ZINC000095241494 944619181 /nfs/dbraw/zinc/61/91/81/944619181.db2.gz NDFKMTRFECJQHZ-ZCFIWIBFSA-N -2 3 265.248 1.281 20 0 CDADHL O=S(=O)([N-]c1nc2c(cccc2[O-])s1)C1CC1 ZINC001259269867 945522028 /nfs/dbraw/zinc/52/20/28/945522028.db2.gz WSBPCXGCWNRBEB-UHFFFAOYSA-N -2 3 270.335 1.906 20 0 CDADHL COC(=O)c1cccc([O-])c1[N-]S(=O)(=O)C1CCCC1 ZINC001259800569 945639146 /nfs/dbraw/zinc/63/91/46/945639146.db2.gz IWZWYDSDWQHGLX-UHFFFAOYSA-N -2 3 299.348 1.863 20 0 CDADHL COc1ccc(F)cc1S(=O)(=O)[N-]c1cncc([O-])c1 ZINC001260643866 945848947 /nfs/dbraw/zinc/84/89/47/945848947.db2.gz IWHHSRRWUNZGKW-UHFFFAOYSA-N -2 3 298.295 1.736 20 0 CDADHL CC[C@H](C)S(=O)(=O)[N-]c1cc([O-])ccc1C(=O)OC ZINC001260743840 945888922 /nfs/dbraw/zinc/88/89/22/945888922.db2.gz SWEJTFQHQNSABI-QMMMGPOBSA-N -2 3 287.337 1.719 20 0 CDADHL O=S(=O)([N-]c1cccc([O-])c1Cl)c1cn[nH]c1 ZINC001260960816 945925244 /nfs/dbraw/zinc/92/52/44/945925244.db2.gz PFHLQEAVFLWBEJ-UHFFFAOYSA-N -2 3 273.701 1.570 20 0 CDADHL Cc1cc2c(c(-c3cc(F)c([O-])c(F)c3)n1)C(=O)[N-]C2=O ZINC001244091630 947310823 /nfs/dbraw/zinc/31/08/23/947310823.db2.gz GAJMMHGKNMVULP-UHFFFAOYSA-N -2 3 290.225 1.924 20 0 CDADHL O=C([O-])CCc1ccc(-c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC001244189805 947340084 /nfs/dbraw/zinc/34/00/84/947340084.db2.gz XQSUSSQJFAHNOE-UHFFFAOYSA-N -2 3 295.302 1.946 20 0 CDADHL CC[C@@H](OC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC001589577598 948973881 /nfs/dbraw/zinc/97/38/81/948973881.db2.gz HWVKPARBSFGJOB-SNVBAGLBSA-N -2 3 256.229 1.480 20 0 CDADHL O=C([O-])CCCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001595034854 951394826 /nfs/dbraw/zinc/39/48/26/951394826.db2.gz HKZIKQNZVAYTNM-UHFFFAOYSA-N -2 3 289.295 1.450 20 0 CDADHL O=C([O-])CCCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001595034854 951394843 /nfs/dbraw/zinc/39/48/43/951394843.db2.gz HKZIKQNZVAYTNM-UHFFFAOYSA-N -2 3 289.295 1.450 20 0 CDADHL O=C([O-])C1(C(=O)Nc2cccc([O-])c2F)CC=CC1 ZINC001594871131 954358195 /nfs/dbraw/zinc/35/81/95/954358195.db2.gz QYGDHHSVTZKKAM-UHFFFAOYSA-N -2 3 265.240 1.891 20 0 CDADHL Cc1nc(N2CCc3c(cccc3C(=O)[O-])C2)cc(=O)[n-]1 ZINC000163331986 959231945 /nfs/dbraw/zinc/23/19/45/959231945.db2.gz SNOFHDIMPBMFNV-UHFFFAOYSA-N -2 3 285.303 1.752 20 0 CDADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccncc2F)c[nH]1 ZINC000232109669 960244018 /nfs/dbraw/zinc/24/40/18/960244018.db2.gz JVLBJGNVUQMSEO-UHFFFAOYSA-N -2 3 285.256 1.048 20 0 CDADHL CC[C@](COC)(NC(=O)c1ccccc1[O-])C(=O)[O-] ZINC000392817661 972527499 /nfs/dbraw/zinc/52/74/99/972527499.db2.gz BLECBGADHNEHOU-CYBMUJFWSA-N -2 3 267.281 1.002 20 0 CDADHL Cc1ccc(C(=O)N[C@@H]2C[C@@H]3C[C@@H](C(=O)[O-])C[C@@H]23)c([O-])c1 ZINC001551445648 966633456 /nfs/dbraw/zinc/63/34/56/966633456.db2.gz NORFNECWVZEOCD-XKAARJIMSA-N -2 3 289.331 1.930 20 0 CDADHL CCCCCNC(=S)NCCCCP(=O)([O-])[O-] ZINC001200059990 967335569 /nfs/dbraw/zinc/33/55/69/967335569.db2.gz SUMWIQOBQRNSOT-UHFFFAOYSA-N -2 3 282.346 1.599 20 0 CDADHL O=C(Nc1c[n-][nH]c1=O)c1cc(F)cc(F)c1[O-] ZINC001457828680 969228619 /nfs/dbraw/zinc/22/86/19/969228619.db2.gz IIJMUYUYJLHWBP-UHFFFAOYSA-N -2 3 255.180 1.351 20 0 CDADHL O=C([O-])[C@H]1C[C@@H](C(=O)Nc2cccc([O-])c2F)C1 ZINC001517399463 969980406 /nfs/dbraw/zinc/98/04/06/969980406.db2.gz QSMXRHXQJXUHBV-KNVOCYPGSA-N -2 3 253.229 1.581 20 0 CDADHL O=C([O-])C1CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC001606041734 973146701 /nfs/dbraw/zinc/14/67/01/973146701.db2.gz USQJTNDMJNRWCM-UHFFFAOYSA-N -2 3 289.209 1.568 20 0 CDADHL CC(C)c1ccc(C(=O)N[C@H](CF)C(=O)[O-])c([O-])c1 ZINC001591942768 976472661 /nfs/dbraw/zinc/47/26/61/976472661.db2.gz ITGNOSKSMJIGOW-SNVBAGLBSA-N -2 3 269.272 1.668 20 0 CDADHL COc1cc(C(=O)[N-]c2ncc(C(=O)[O-])s2)on1 ZINC000720001179 978019797 /nfs/dbraw/zinc/01/97/97/978019797.db2.gz SEIUFBSEJAUOJK-UHFFFAOYSA-N -2 3 269.238 1.090 20 0 CDADHL CC(=O)c1ccc(C(=O)N[C@H](CC(=O)[O-])C2CC2)cc1[O-] ZINC001589275974 985986075 /nfs/dbraw/zinc/98/60/75/985986075.db2.gz OERXADTZLIMAGH-GFCCVEGCSA-N -2 3 291.303 1.578 20 0 CDADHL C[C@H](OC(=O)c1cc2occc2[n-]1)C(=O)C(C)(C)C(=O)[O-] ZINC001593573818 995676177 /nfs/dbraw/zinc/67/61/77/995676177.db2.gz XBMDSXWJCXAECJ-ZETCQYMHSA-N -2 3 293.275 1.986 20 0 CDADHL CC[C@H]([N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)C1CC1 ZINC001605103874 1163451875 /nfs/dbraw/zinc/45/18/75/1163451875.db2.gz NATWNAAMSQHVDW-VIFPVBQESA-N -2 3 287.337 1.753 20 0 CDADHL C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC001594158718 998588426 /nfs/dbraw/zinc/58/84/26/998588426.db2.gz LMEJQSIFNMBECW-JGVFFNPUSA-N -2 3 293.275 1.056 20 0 CDADHL COCC1(S(=O)(=O)[N-]c2cc([O-])c(F)cc2F)CC1 ZINC000641692424 365730337 /nfs/dbraw/zinc/73/03/37/365730337.db2.gz TYYAEBBUAAEDPK-UHFFFAOYSA-N -2 3 293.291 1.591 20 0 CDADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@H](C)CCC(=O)[O-] ZINC000275032768 365899339 /nfs/dbraw/zinc/89/93/39/365899339.db2.gz QEBAJVGHOFBHGB-SECBINFHSA-N -2 3 289.328 1.666 20 0 CDADHL CCC[C@H](NC(=O)c1cc(F)ccc1[O-])c1nnn[n-]1 ZINC000271220981 191011144 /nfs/dbraw/zinc/01/11/44/191011144.db2.gz CQAYPJQVJZMZES-VIFPVBQESA-N -2 3 279.275 1.316 20 0 CDADHL CCC[C@H](NC(=O)c1cc(F)ccc1[O-])c1nn[n-]n1 ZINC000271220981 191011147 /nfs/dbraw/zinc/01/11/47/191011147.db2.gz CQAYPJQVJZMZES-VIFPVBQESA-N -2 3 279.275 1.316 20 0 CDADHL C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000070311914 358933599 /nfs/dbraw/zinc/93/35/99/358933599.db2.gz UVCKTBVTHZIFKY-ZETCQYMHSA-N -2 3 293.291 1.496 20 0 CDADHL Cc1cccc(C(=O)NCCC(C)(C)C(=O)[O-])c1[O-] ZINC000262863360 359193140 /nfs/dbraw/zinc/19/31/40/359193140.db2.gz ZVWBNKOTUQEOGK-UHFFFAOYSA-N -2 3 265.309 1.931 20 0 CDADHL O=C(N=c1ccc([O-])n[n-]1)c1cc(C2CC2)[nH]c1C1CC1 ZINC000637126024 359237513 /nfs/dbraw/zinc/23/75/13/359237513.db2.gz DEJLYTFNVJPPRL-UHFFFAOYSA-N -2 3 284.319 1.939 20 0 CDADHL CC1(C)Cc2cc(C(=O)N=c3ccc([O-])n[n-]3)ccc2O1 ZINC000566974887 370852240 /nfs/dbraw/zinc/85/22/40/370852240.db2.gz MFTLZURFFUJWGY-UHFFFAOYSA-N -2 3 285.303 1.570 20 0 CDADHL CC(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1[O-] ZINC000567269709 374025012 /nfs/dbraw/zinc/02/50/12/374025012.db2.gz TUAXSIMFSCJHKK-NSHDSACASA-N -2 3 291.303 1.532 20 0 CDADHL CC(C)[C@@H]([N-]S(=O)(=O)c1cncc(Cl)c1)C(=O)[O-] ZINC000261626758 190042092 /nfs/dbraw/zinc/04/20/92/190042092.db2.gz CXIBIAGYPZJQFL-SECBINFHSA-N -2 3 292.744 1.123 20 0 CDADHL Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC000262763861 190062329 /nfs/dbraw/zinc/06/23/29/190062329.db2.gz GAUWZIDCLCPPQO-BXKDBHETSA-N -2 3 279.292 1.015 20 0 CDADHL Cc1ccc([O-])c(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)n1 ZINC000572133616 377734916 /nfs/dbraw/zinc/73/49/16/377734916.db2.gz HIKIXKIDJPDDCC-UHFFFAOYSA-N -2 3 286.291 1.721 20 0 CDADHL Cc1ccc([O-])c(C(=O)N2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000062912826 378249518 /nfs/dbraw/zinc/24/95/18/378249518.db2.gz JVVLYSQSQBTXBD-AWEZNQCLSA-N -2 3 263.293 1.637 20 0 CDADHL COc1ccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c([O-])c1 ZINC000019518810 391323488 /nfs/dbraw/zinc/32/34/88/391323488.db2.gz QNDCYESCMRKFIZ-NSHDSACASA-N -2 3 279.292 1.480 20 0 CDADHL CC[C@@H](CS(=O)(=O)[N-]c1cc([O-])c(F)cc1F)OC ZINC000421165580 391822922 /nfs/dbraw/zinc/82/29/22/391822922.db2.gz MXQJKVABFWJJAE-ZETCQYMHSA-N -2 3 295.307 1.837 20 0 CDADHL O=S(=O)([N-]c1cccc([O-])c1F)c1c[nH]cn1 ZINC000131516163 393048219 /nfs/dbraw/zinc/04/82/19/393048219.db2.gz XJSAZDLUMJTEEQ-UHFFFAOYSA-N -2 3 257.246 1.055 20 0 CDADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C1CCC1 ZINC000645971328 393441119 /nfs/dbraw/zinc/44/11/19/393441119.db2.gz BZMVVJFTBZHITB-SSDOTTSWSA-N -2 3 273.310 1.445 20 0 CDADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(C)C ZINC000042589890 398014065 /nfs/dbraw/zinc/01/40/65/398014065.db2.gz LXENYRYCRMQCIY-MRVPVSSYSA-N -2 3 275.326 1.691 20 0 CDADHL CC(C)C[C@@H](NC(=O)c1cccc([O-])c1)C(=O)[O-] ZINC000021966527 171344035 /nfs/dbraw/zinc/34/40/35/171344035.db2.gz KWDVBKTZHFCTMS-LLVKDONJSA-N -2 3 251.282 1.621 20 0 CDADHL CO[C@@](C)(C(=O)[O-])C(=O)Nc1cc(Cl)ccc1[O-] ZINC000663038133 413846793 /nfs/dbraw/zinc/84/67/93/413846793.db2.gz MHRUGWAIBHJORO-LLVKDONJSA-N -2 3 273.672 1.474 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]CC2=CCCC2)oc1C(=O)[O-] ZINC000663445001 414259376 /nfs/dbraw/zinc/25/93/76/414259376.db2.gz KOZAVWHDZGHENR-UHFFFAOYSA-N -2 3 285.321 1.675 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H]2CC=CCC2)c1 ZINC000567797675 293872622 /nfs/dbraw/zinc/87/26/22/293872622.db2.gz XBVHPYZLAWRDIK-VIFPVBQESA-N -2 3 271.294 1.365 20 0 CDADHL Cc1csc(S(=O)(=O)[N-]CC[C@H](C)CC(=O)[O-])c1 ZINC000582285637 324945723 /nfs/dbraw/zinc/94/57/23/324945723.db2.gz UWMMSUZVHDHWPP-QMMMGPOBSA-N -2 3 291.394 1.836 20 0 CDADHL CCNC(=O)[N-][N-]S(=O)(=O)c1ccc(C)cc1Cl ZINC000049152404 1160176898 /nfs/dbraw/zinc/17/68/98/1160176898.db2.gz GAKFAYIONRMYFM-UHFFFAOYSA-N -2 3 291.760 1.161 20 0 CDADHL O=C(c1ccc([O-])c(F)c1)N1CCc2nc[n-]c(=O)c2C1 ZINC000681057530 483057603 /nfs/dbraw/zinc/05/76/03/483057603.db2.gz AEJYXDIMKWLMTF-UHFFFAOYSA-N -2 3 289.266 1.225 20 0 CDADHL COc1ccc([O-])c(C(=O)N(CCC(=O)[O-])CC2CC2)c1 ZINC000678976010 483238942 /nfs/dbraw/zinc/23/89/42/483238942.db2.gz MNDXJAIDGPOCIM-UHFFFAOYSA-N -2 3 293.319 1.728 20 0 CDADHL Cc1[n-]ncc1S(=O)(=O)Oc1ccc(C(=O)[O-])cc1 ZINC000738171408 576046505 /nfs/dbraw/zinc/04/65/05/576046505.db2.gz UAOQQOCGSROTGC-UHFFFAOYSA-N -2 3 282.277 1.184 20 0 CDADHL O=c1ccnc(C=Cc2cccc(-c3nnn[n-]3)c2)[n-]1 ZINC000738381179 576064974 /nfs/dbraw/zinc/06/49/74/576064974.db2.gz XKRFVJYAXJGNGT-SNAWJCMRSA-N -2 3 266.264 1.533 20 0 CDADHL C[C@@H]([N-]S(=O)(=O)c1occc1C(=O)[O-])C(C)(C)C ZINC000871995002 620646239 /nfs/dbraw/zinc/64/62/39/620646239.db2.gz FWUKXPYRMPRRDQ-SSDOTTSWSA-N -2 3 275.326 1.691 20 0 CDADHL Cc1ccc([O-])c(C(=O)Nc2cc(C(=O)[O-])n(C)c2)c1 ZINC000832953096 601761160 /nfs/dbraw/zinc/76/11/60/601761160.db2.gz LZLYMCPVHSXDAT-UHFFFAOYSA-N -2 3 274.276 1.990 20 0 CDADHL Cc1ccc(-c2nc(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])n[n-]2)o1 ZINC000832907540 602144397 /nfs/dbraw/zinc/14/43/97/602144397.db2.gz BJYARBXYVJLMIL-RNFRBKRXSA-N -2 3 276.252 1.032 20 0 CDADHL CC1(C)CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000694195490 604553524 /nfs/dbraw/zinc/55/35/24/604553524.db2.gz FJABKIARDYNWLS-VIFPVBQESA-N -2 3 287.337 1.835 20 0 CDADHL C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000062912584 605140611 /nfs/dbraw/zinc/14/06/11/605140611.db2.gz HGPSKSAZNPFQEV-CYBMUJFWSA-N -2 3 265.265 1.035 20 0 CDADHL CC(C)C[C@@H](CNC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909287206 628613257 /nfs/dbraw/zinc/61/32/57/628613257.db2.gz SJGPBPTYVPZGFH-NSHDSACASA-N -2 3 297.326 1.937 20 0 CDADHL O=C([O-])[C@H](CNC(=O)Cc1ccc([O-])c(F)c1)CC1CC1 ZINC000909879072 628725345 /nfs/dbraw/zinc/72/53/45/628725345.db2.gz ASZKIZSENJEEPO-NSHDSACASA-N -2 3 295.310 1.691 20 0 CDADHL C[C@H](CC(=O)[O-])CC(=O)NCc1ccc([O-])c(F)c1 ZINC000909922826 628776281 /nfs/dbraw/zinc/77/62/81/628776281.db2.gz JKDFTYOKJWTQNR-QMMMGPOBSA-N -2 3 269.272 1.648 20 0 CDADHL O=C([O-])CN(C(=O)Cc1ccc([O-])c(F)c1)C1CCCC1 ZINC000910063817 628856043 /nfs/dbraw/zinc/85/60/43/628856043.db2.gz AYSGEFHGXKPVAE-UHFFFAOYSA-N -2 3 295.310 1.930 20 0 CDADHL O=C([O-])C12CCC(C(=O)[N-]OCCC3CC3)(CC1)C2 ZINC000911810494 629542565 /nfs/dbraw/zinc/54/25/65/629542565.db2.gz QZOMCAGHWSDDJW-UHFFFAOYSA-N -2 3 267.325 1.869 20 0 CDADHL C[C@@H](C(=O)[O-])N(C(=O)c1ccc(N)cc1[O-])C1CC1 ZINC000849365783 695907151 /nfs/dbraw/zinc/90/71/51/695907151.db2.gz BYZZPGPVSMRBME-ZETCQYMHSA-N -2 3 264.281 1.052 20 0 CDADHL CC[C@H](C)[C@H](NC(=O)NCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000780685819 696009501 /nfs/dbraw/zinc/00/95/01/696009501.db2.gz FIELUCKYRGRDKE-UFBFGSQYSA-N -2 3 298.314 1.830 20 0 CDADHL C[C@@H]([N-]S(=O)(=O)c1cccnc1C(=O)[O-])C(F)(F)F ZINC001604356652 1163162942 /nfs/dbraw/zinc/16/29/42/1163162942.db2.gz PPARPEFOSWSEEJ-RXMQYKEDSA-N -2 3 298.242 1.009 20 0 CDADHL COC(=O)c1cc(C(=O)O[C@H](C(=O)[O-])C(C)C)c[n-]1 ZINC001606537789 1163926747 /nfs/dbraw/zinc/92/67/47/1163926747.db2.gz TYBPELDDYFMFBC-VIFPVBQESA-N -2 3 269.253 1.067 20 0 CDADHL COc1cc(Nc2cnc(C)[n-]c2=O)ccc1C(=O)[O-] ZINC001174682520 1164300984 /nfs/dbraw/zinc/30/09/84/1164300984.db2.gz BKYFSIPMXQZRLH-UHFFFAOYSA-N -2 3 275.264 1.941 20 0 CDADHL O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(c2cc(=O)[n-]cn2)C1 ZINC001608812208 1164646548 /nfs/dbraw/zinc/64/65/48/1164646548.db2.gz AVKHAUOQRGELDN-RQJHMYQMSA-N -2 3 291.229 1.272 20 0 CDADHL O=C([O-])c1ccc(COC(=O)c2cncc([O-])c2)nc1 ZINC001608889604 1164677161 /nfs/dbraw/zinc/67/71/61/1164677161.db2.gz IIPLGLHXCPQRIH-UHFFFAOYSA-N -2 3 274.232 1.237 20 0 CDADHL CC[C@H](Nc1nc(C)c(-c2nn[n-]n2)cc1Cl)C(=O)[O-] ZINC001609249277 1164864342 /nfs/dbraw/zinc/86/43/42/1164864342.db2.gz HBMOZRARLKBQHA-QMMMGPOBSA-N -2 3 296.718 1.499 20 0 CDADHL O=C([N-]Oc1cccc(-c2nnn[n-]2)c1)C1(CCF)CC1 ZINC001593170338 1174029309 /nfs/dbraw/zinc/02/93/09/1174029309.db2.gz FVQFLODYIJYVMM-UHFFFAOYSA-N -2 3 291.286 1.417 20 0 CDADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)C1(CCF)CC1 ZINC001593170338 1174029311 /nfs/dbraw/zinc/02/93/11/1174029311.db2.gz FVQFLODYIJYVMM-UHFFFAOYSA-N -2 3 291.286 1.417 20 0 CDADHL O=C([O-])c1cc(-c2ccc(-c3nnn[n-]3)cc2)c[nH]c1=O ZINC001593278814 1174048671 /nfs/dbraw/zinc/04/86/71/1174048671.db2.gz CKGBEPFJJQHBAT-UHFFFAOYSA-N -2 3 283.247 1.333 20 0 CDADHL O=C([O-])c1cc(-c2ccc(-c3nn[n-]n3)cc2)c[nH]c1=O ZINC001593278814 1174048674 /nfs/dbraw/zinc/04/86/74/1174048674.db2.gz CKGBEPFJJQHBAT-UHFFFAOYSA-N -2 3 283.247 1.333 20 0 CDADHL Cc1cc(=O)[n-]c(NC[C@H](CC(=O)[O-])C2CC2)n1 ZINC001600285248 1174438044 /nfs/dbraw/zinc/43/80/44/1174438044.db2.gz GBIRVVVDNNVKII-VIFPVBQESA-N -2 3 251.286 1.403 20 0 CDADHL O=C([O-])CC1(NC(=O)c2cc(F)cc3n[n-]nc32)CCC1 ZINC001601930206 1175070742 /nfs/dbraw/zinc/07/07/42/1175070742.db2.gz PBDDUTNZJPUJSZ-UHFFFAOYSA-N -2 3 292.270 1.224 20 0 CDADHL O=C([O-])[C@]12C[C@H]1CCCN2C(=O)Cc1ccc([O-])c(F)c1 ZINC000923150188 723883134 /nfs/dbraw/zinc/88/31/34/723883134.db2.gz QUTFZFLTQSCYCR-BMIGLBTASA-N -2 3 293.294 1.540 20 0 CDADHL O=C(CNC(=O)c1ccc([O-])cc1)[N-]OC1CCCCC1 ZINC000777949992 724750982 /nfs/dbraw/zinc/75/09/82/724750982.db2.gz PTFRMVAHVCGCDO-UHFFFAOYSA-N -2 3 292.335 1.503 20 0 CDADHL O=C([N-]OCc1ccccc1)c1cnc(C2CC2)[n-]c1=O ZINC000900001509 725218857 /nfs/dbraw/zinc/21/88/57/725218857.db2.gz FWQQSDJHTGWYAL-UHFFFAOYSA-N -2 3 285.303 1.921 20 0 CDADHL O=C([O-])C1CCN(Cc2c(F)ccc([O-])c2F)CC1 ZINC001608634446 1164583343 /nfs/dbraw/zinc/58/33/43/1164583343.db2.gz NJHDNMBSNJYIPR-UHFFFAOYSA-N -2 3 271.263 1.967 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)CCc1ccc(F)cc1 ZINC001608716637 1164618953 /nfs/dbraw/zinc/61/89/53/1164618953.db2.gz XOSMJTCOYVBYFI-UHFFFAOYSA-N -2 3 269.272 1.671 20 0 CDADHL CC(C)[C@@H]1C[C@H]1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001609716011 1165053379 /nfs/dbraw/zinc/05/33/79/1165053379.db2.gz OGZYVEFKWXIQPZ-NKWVEPMBSA-N -2 3 290.366 1.164 20 0 CDADHL CCCC[C@@H](OC(=O)c1cncc([O-])c1)C(=O)[O-] ZINC001609965658 1165167082 /nfs/dbraw/zinc/16/70/82/1165167082.db2.gz UGVZEABIRAQHFB-SNVBAGLBSA-N -2 3 253.254 1.587 20 0 CDADHL CSc1ccc([O-])c(C(=O)N[C@H](C(=O)[O-])C2CC2)c1 ZINC001607410295 1167910360 /nfs/dbraw/zinc/91/03/60/1167910360.db2.gz UYWQNHUIDDKAQP-NSHDSACASA-N -2 3 281.333 1.707 20 0 CDADHL Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC000263346694 907718922 /nfs/dbraw/zinc/71/89/22/907718922.db2.gz OUCOLTFVDRDGKH-GHMZBOCLSA-N -2 3 277.320 1.883 20 0 CDADHL O=C(NCCP(=O)([O-])[O-])N[C@@H]1CCCc2ccccc21 ZINC001186477032 920034162 /nfs/dbraw/zinc/03/41/62/920034162.db2.gz WFCORUYYMKPQBH-GFCCVEGCSA-N -2 3 298.279 1.541 20 0 CDADHL O=C([O-])c1ccc(Nc2cnc[n-]c2=O)c(F)c1F ZINC001212511868 922053868 /nfs/dbraw/zinc/05/38/68/922053868.db2.gz JUMWNLRCKMPJTL-UHFFFAOYSA-N -2 3 267.191 1.902 20 0 CDADHL CC(C)(C)c1ccc(C(=O)NCc2nnn[n-]2)c([O-])c1 ZINC001192335350 923009661 /nfs/dbraw/zinc/00/96/61/923009661.db2.gz HDWOVMYXHAEUBL-UHFFFAOYSA-N -2 3 275.312 1.133 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1ccc2ocnc2c1 ZINC001149388726 937175275 /nfs/dbraw/zinc/17/52/75/937175275.db2.gz REMSPYNUMCUZIP-UHFFFAOYSA-N -2 3 298.235 1.516 20 0 CDADHL O=C(Cc1ccc([O-])c(F)c1)Nc1cc(=O)[n-]c(Cl)n1 ZINC001144622764 931931385 /nfs/dbraw/zinc/93/13/85/931931385.db2.gz CUGMTORWVAVFNY-UHFFFAOYSA-N -2 3 297.673 1.862 20 0 CDADHL N#CNC(=O)c1cc([O-])c(Br)c([O-])c1 ZINC001148990375 932820389 /nfs/dbraw/zinc/82/03/89/932820389.db2.gz UHNQNNYRDXUVKC-UHFFFAOYSA-N -2 3 257.043 1.071 20 0 CDADHL C[C@H](CN(C)C(=O)c1c(F)ccc([O-])c1F)c1nnn[n-]1 ZINC001412790811 934359442 /nfs/dbraw/zinc/35/94/42/934359442.db2.gz DECOYIPBQDDZEA-ZCFIWIBFSA-N -2 3 297.265 1.059 20 0 CDADHL C[C@H](CN(C)C(=O)c1c(F)ccc([O-])c1F)c1nn[n-]n1 ZINC001412790811 934359448 /nfs/dbraw/zinc/35/94/48/934359448.db2.gz DECOYIPBQDDZEA-ZCFIWIBFSA-N -2 3 297.265 1.059 20 0 CDADHL COc1ccc(Nc2cc(=O)[n-]c(C)n2)cc1C(=O)[O-] ZINC001209897006 940651070 /nfs/dbraw/zinc/65/10/70/940651070.db2.gz QIUFMDJMKYRZGK-UHFFFAOYSA-N -2 3 275.264 1.941 20 0 CDADHL O=P([O-])([O-])CCCCOC[C@H]1CCCCO1 ZINC001225018848 941814643 /nfs/dbraw/zinc/81/46/43/941814643.db2.gz JGPYKSZGPMTGJI-SNVBAGLBSA-N -2 3 252.247 1.530 20 0 CDADHL C[C@@H](OCCCCP(=O)([O-])[O-])c1cncnc1 ZINC001225018983 941815202 /nfs/dbraw/zinc/81/52/02/941815202.db2.gz NOTXDTZFVVPDNF-SECBINFHSA-N -2 3 260.230 1.512 20 0 CDADHL [S-]c1[n-]c(OC2CCOCC2)nc2ncnc1-2 ZINC001226780579 942068519 /nfs/dbraw/zinc/06/85/19/942068519.db2.gz PQFVESXLRDZPDK-UHFFFAOYSA-N -2 3 252.299 1.199 20 0 CDADHL COC(=O)[C@@H]1CCC[C@@H]1Oc1nc2ncnc-2c([S-])[n-]1 ZINC001226784561 942069386 /nfs/dbraw/zinc/06/93/86/942069386.db2.gz GWUFDYNUBFICFM-RQJHMYQMSA-N -2 3 294.336 1.362 20 0 CDADHL COc1ccc([C@H](C)Oc2[n-]c(=O)nc3cn[n-]c32)cc1 ZINC001233940234 943696901 /nfs/dbraw/zinc/69/69/01/943696901.db2.gz UGMMUQOHKZCIBR-QMMMGPOBSA-N -2 3 286.291 1.795 20 0 CDADHL COc1ccc(C)cc1S(=O)(=O)[N-]c1cncc([O-])c1 ZINC001260292328 945815337 /nfs/dbraw/zinc/81/53/37/945815337.db2.gz XMAOHZSKXPPTJT-UHFFFAOYSA-N -2 3 294.332 1.905 20 0 CDADHL O=S(=O)([N-]c1nc2c(cccc2[O-])s1)c1cn[nH]c1 ZINC001260953455 945918109 /nfs/dbraw/zinc/91/81/09/945918109.db2.gz FFYOSHFKMRNBCY-UHFFFAOYSA-N -2 3 296.333 1.526 20 0 CDADHL O=S(=O)([N-][C@@H]1[CH]CC=C1)c1ccc(Cl)c2nonc21 ZINC001261075021 945953349 /nfs/dbraw/zinc/95/33/49/945953349.db2.gz JQJHTZLPICGCKT-ZETCQYMHSA-N -2 3 298.731 1.687 20 0 CDADHL O=C([O-])Cc1ccc(F)c(-c2cncc(-c3nnn[n-]3)c2)c1 ZINC001245319274 947636163 /nfs/dbraw/zinc/63/61/63/947636163.db2.gz VWXVHEDTEAJKJN-UHFFFAOYSA-N -2 3 299.265 1.695 20 0 CDADHL O=C([O-])Cc1ccc(F)c(-c2cncc(-c3nn[n-]n3)c2)c1 ZINC001245319274 947636176 /nfs/dbraw/zinc/63/61/76/947636176.db2.gz VWXVHEDTEAJKJN-UHFFFAOYSA-N -2 3 299.265 1.695 20 0 CDADHL O=C([O-])c1ccc(C(=O)Nc2cccc([O-])c2F)nc1 ZINC001595222034 949263730 /nfs/dbraw/zinc/26/37/30/949263730.db2.gz PDEXGCPWAAAOMQ-UHFFFAOYSA-N -2 3 276.223 1.877 20 0 CDADHL CCCN(CC(=O)[O-])Cc1c(F)ccc([O-])c1F ZINC001589669784 949927191 /nfs/dbraw/zinc/92/71/91/949927191.db2.gz HZCSMYJQJICAHZ-UHFFFAOYSA-N -2 3 259.252 1.967 20 0 CDADHL CCOC(=O)c1ncc(NC(=O)C2(CC(=O)[O-])CCC2)[n-]1 ZINC001591279656 951121680 /nfs/dbraw/zinc/12/16/80/951121680.db2.gz IMKGRVVNUBKHGE-UHFFFAOYSA-N -2 3 295.295 1.170 20 0 CDADHL CCOC(=O)c1nc(NC(=O)C2(CC(=O)[O-])CCC2)c[n-]1 ZINC001591279656 951121685 /nfs/dbraw/zinc/12/16/85/951121685.db2.gz IMKGRVVNUBKHGE-UHFFFAOYSA-N -2 3 295.295 1.170 20 0 CDADHL CC[C@H](C)[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)C(=O)[O-] ZINC001593613311 953474765 /nfs/dbraw/zinc/47/47/65/953474765.db2.gz GSTFUAKNEDKBJY-CPCISQLKSA-N -2 3 293.323 1.289 20 0 CDADHL O=C([O-])[C@H]1CCN1C(=O)c1cc([O-])ccc1Cl ZINC000384610537 971939938 /nfs/dbraw/zinc/93/99/38/971939938.db2.gz MMHCUSPELXZRIH-SECBINFHSA-N -2 3 255.657 1.345 20 0 CDADHL O=C([O-])c1cccc(NC(=O)NCc2ncccc2[O-])c1 ZINC001594777681 953605287 /nfs/dbraw/zinc/60/52/87/953605287.db2.gz JCPVMCNEUIKDGW-UHFFFAOYSA-N -2 3 287.275 1.807 20 0 CDADHL CC(C)C[C@H](CNC(=O)c1cccc(O)c1[O-])C(=O)[O-] ZINC000126065752 958579638 /nfs/dbraw/zinc/57/96/38/958579638.db2.gz ANCGYVUUYQNEJC-SECBINFHSA-N -2 3 281.308 1.575 20 0 CDADHL CC[C@@](COC)(NC(=O)c1ccccc1[O-])C(=O)[O-] ZINC000392817662 972527383 /nfs/dbraw/zinc/52/73/83/972527383.db2.gz BLECBGADHNEHOU-ZDUSSCGKSA-N -2 3 267.281 1.002 20 0 CDADHL O=C([O-])c1nccnc1NCCc1c(F)cc([O-])cc1F ZINC001571055538 960720414 /nfs/dbraw/zinc/72/04/14/960720414.db2.gz YTGRYHWZZMRBPG-UHFFFAOYSA-N -2 3 295.245 1.813 20 0 CDADHL O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1ccc(O)cc1[O-] ZINC000299940711 962946748 /nfs/dbraw/zinc/94/67/48/962946748.db2.gz HTWUGMPCYYQSOL-FWDPORAESA-N -2 3 291.303 1.423 20 0 CDADHL O=C([N-]OCc1cccnc1)c1cnc(C2CC2)[n-]c1=O ZINC001353885425 968311098 /nfs/dbraw/zinc/31/10/98/968311098.db2.gz CRSVAHGYBIVHGK-UHFFFAOYSA-N -2 3 286.291 1.316 20 0 CDADHL O=C([O-])[C@@H]1CCN(C(=O)c2cc(=O)[n-]cn2)c2ccccc21 ZINC001606008327 973104820 /nfs/dbraw/zinc/10/48/20/973104820.db2.gz QAKWDARNRRFSTF-SNVBAGLBSA-N -2 3 299.286 1.401 20 0 CDADHL C[C@@H](CC(=O)[O-])C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001592368106 977876392 /nfs/dbraw/zinc/87/63/92/977876392.db2.gz YYJPQCKIAIDBED-LURJTMIESA-N -2 3 263.253 1.318 20 0 CDADHL CCOCCO[N-]C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC001596937544 986053080 /nfs/dbraw/zinc/05/30/80/986053080.db2.gz BXSXPFGWVZGNSF-UHFFFAOYSA-N -2 3 285.340 1.496 20 0 CDADHL CCC(CC)(NC(=O)c1ccc(C(C)=O)c([O-])c1)C(=O)[O-] ZINC001605007104 1163413656 /nfs/dbraw/zinc/41/36/56/1163413656.db2.gz JYHWYTIAOIEGFY-UHFFFAOYSA-N -2 3 293.319 1.968 20 0 CDADHL CO[C@@H](C)CS(=O)(=O)[N-]c1c(C)csc1C(=O)[O-] ZINC001599038015 999097893 /nfs/dbraw/zinc/09/78/93/999097893.db2.gz UTTWOMOTBSBYSG-ZETCQYMHSA-N -2 3 293.366 1.531 20 0 CDADHL CCOC(=O)c1ncc(NC(=O)c2ccc([O-])cc2F)[n-]1 ZINC000617873935 342524958 /nfs/dbraw/zinc/52/49/58/342524958.db2.gz STKNNMSYVQNEHZ-UHFFFAOYSA-N -2 3 293.254 1.683 20 0 CDADHL CCOC(=O)c1nc(NC(=O)c2ccc([O-])cc2F)c[n-]1 ZINC000617873935 342524959 /nfs/dbraw/zinc/52/49/59/342524959.db2.gz STKNNMSYVQNEHZ-UHFFFAOYSA-N -2 3 293.254 1.683 20 0 CDADHL Cc1noc(C)c1S(=O)(=O)[N-]C[C@H](C)CCC(=O)[O-] ZINC000123894218 342065964 /nfs/dbraw/zinc/06/59/64/342065964.db2.gz UWWZMPOXZXKVJP-SSDOTTSWSA-N -2 3 290.341 1.071 20 0 CDADHL CC(C)CCC[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134691783 342071216 /nfs/dbraw/zinc/07/12/16/342071216.db2.gz SDCULNOHTJXPOV-UHFFFAOYSA-N -2 3 292.382 1.556 20 0 CDADHL CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134696359 342071294 /nfs/dbraw/zinc/07/12/94/342071294.db2.gz NOZNLXGLIPTVDF-RQJHMYQMSA-N -2 3 292.382 1.554 20 0 CDADHL O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1cc(F)ccc1[O-] ZINC000094085015 342429661 /nfs/dbraw/zinc/42/96/61/342429661.db2.gz QDASTZCMZGSOJC-UHFFFAOYSA-N -2 3 299.265 1.964 20 0 CDADHL O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cc(F)ccc1[O-] ZINC000094085015 342429662 /nfs/dbraw/zinc/42/96/62/342429662.db2.gz QDASTZCMZGSOJC-UHFFFAOYSA-N -2 3 299.265 1.964 20 0 CDADHL O=C([O-])CCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000011892021 365822022 /nfs/dbraw/zinc/82/20/22/365822022.db2.gz VEZKSYWPQXMGBV-UHFFFAOYSA-N -2 3 283.758 1.545 20 0 CDADHL Cc1[n-][nH]c(=O)c1CCN=c1nc(C(C)C)[n-]s1 ZINC000540032456 282495229 /nfs/dbraw/zinc/49/52/29/282495229.db2.gz ARPPLTNTWROKQE-MRVPVSSYSA-N -2 3 267.358 1.007 20 0 CDADHL CSc1nc(=NC(=O)c2cc(C(F)F)n[n-]2)s[n-]1 ZINC000639479320 362985887 /nfs/dbraw/zinc/98/58/87/362985887.db2.gz ZDRHLUAIENQTSJ-UHFFFAOYSA-N -2 3 291.308 1.595 20 0 CDADHL CSc1nc(=NC(=O)c2cc(C(F)F)[n-]n2)s[n-]1 ZINC000639479320 362985890 /nfs/dbraw/zinc/98/58/90/362985890.db2.gz ZDRHLUAIENQTSJ-UHFFFAOYSA-N -2 3 291.308 1.595 20 0 CDADHL CC(C)C[C@H](C(=O)[O-])[S@](=O)c1cccc([O-])c1 ZINC000580625104 324515136 /nfs/dbraw/zinc/51/51/36/324515136.db2.gz SEMFSOQBDVLGJL-PIGZYNQJSA-N -2 3 256.323 1.999 20 0 CDADHL Cc1[n-]n(-c2cn[n-]c(=O)c2Cl)c(=O)c1C1CC1 ZINC000634587711 356468191 /nfs/dbraw/zinc/46/81/91/356468191.db2.gz WHEKTHYLCWJTFV-QMMMGPOBSA-N -2 3 266.688 1.584 20 0 CDADHL Cc1ccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)c([O-])c1 ZINC000634816520 358812411 /nfs/dbraw/zinc/81/24/11/358812411.db2.gz RZNGNRKZWIUFHH-MNOVXSKESA-N -2 3 263.293 1.996 20 0 CDADHL CSc1nnc(NC(=O)C(=O)c2ccc([O-])cc2)[n-]1 ZINC000436961837 361622143 /nfs/dbraw/zinc/62/21/43/361622143.db2.gz CSMUUSDRZRKLAD-UHFFFAOYSA-N -2 3 278.293 1.054 20 0 CDADHL CSc1n[n-]c(NC(=O)C(=O)c2ccc([O-])cc2)n1 ZINC000436961837 361622146 /nfs/dbraw/zinc/62/21/46/361622146.db2.gz CSMUUSDRZRKLAD-UHFFFAOYSA-N -2 3 278.293 1.054 20 0 CDADHL CSc1nc(NC(=O)C(=O)c2ccc([O-])cc2)n[n-]1 ZINC000436961837 361622154 /nfs/dbraw/zinc/62/21/54/361622154.db2.gz CSMUUSDRZRKLAD-UHFFFAOYSA-N -2 3 278.293 1.054 20 0 CDADHL C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000034936964 296138671 /nfs/dbraw/zinc/13/86/71/296138671.db2.gz CGITYOYWDMMWTQ-RXMQYKEDSA-N -2 3 298.147 1.745 20 0 CDADHL CCCCOCC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000567803251 371151957 /nfs/dbraw/zinc/15/19/57/371151957.db2.gz UONNSSTZHHQANE-UHFFFAOYSA-N -2 3 291.325 1.073 20 0 CDADHL CCc1cc(=O)[n-]c(CN2C[C@H](C(=O)[O-])CC[C@H]2C)n1 ZINC000567857988 371173491 /nfs/dbraw/zinc/17/34/91/371173491.db2.gz RRCFZJTVPRRTBC-NXEZZACHSA-N -2 3 279.340 1.430 20 0 CDADHL O=S(=O)(C[C@@H]1CCCO1)[N-]c1ccccc1[O-] ZINC000063156121 378263595 /nfs/dbraw/zinc/26/35/95/378263595.db2.gz VXOAOUQUIUEXNR-VIFPVBQESA-N -2 3 257.311 1.313 20 0 CDADHL C[C@@H]1CCCN(C(=O)c2ccc3n[n-]nc3c2)[C@@H]1C(=O)[O-] ZINC000235390884 296381384 /nfs/dbraw/zinc/38/13/84/296381384.db2.gz MSFACTYRHQLHRC-PELKAZGASA-N -2 3 288.307 1.283 20 0 CDADHL COc1ccc([O-])c(C(=O)NC[C@@H](C)CC(=O)[O-])c1 ZINC000211768997 140159646 /nfs/dbraw/zinc/15/96/46/140159646.db2.gz VBIYRJKOENWRQQ-QMMMGPOBSA-N -2 3 267.281 1.241 20 0 CDADHL CCc1ncc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)s1 ZINC000262397359 149058419 /nfs/dbraw/zinc/05/84/19/149058419.db2.gz JMEGPQICOBHBHP-SECBINFHSA-N -2 3 292.382 1.093 20 0 CDADHL CC[C@H](C)[C@H](NC(=O)c1ccc(OC)cc1[O-])C(=O)[O-] ZINC000019473912 170806322 /nfs/dbraw/zinc/80/63/22/170806322.db2.gz FMGJXUXYOCESBK-UFBFGSQYSA-N -2 3 281.308 1.630 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]C(C)(C)C(C)C)oc1C(=O)[O-] ZINC000663428860 414252439 /nfs/dbraw/zinc/25/24/39/414252439.db2.gz XKQWUWWFCDZQGW-UHFFFAOYSA-N -2 3 289.353 1.999 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]CC2=CCCC2)c1 ZINC000663443454 414258717 /nfs/dbraw/zinc/25/87/17/414258717.db2.gz FNCIJBUGXCAXIM-UHFFFAOYSA-N -2 3 271.294 1.366 20 0 CDADHL CCC[C@@](C)(NCc1nc(-c2nnn[n-]2)cs1)C(=O)[O-] ZINC001590543570 1173458442 /nfs/dbraw/zinc/45/84/42/1173458442.db2.gz OKSSNMOLKBNPQP-LLVKDONJSA-N -2 3 296.356 1.056 20 0 CDADHL CCC[C@@](C)(NCc1nc(-c2nn[n-]n2)cs1)C(=O)[O-] ZINC001590543570 1173458445 /nfs/dbraw/zinc/45/84/45/1173458445.db2.gz OKSSNMOLKBNPQP-LLVKDONJSA-N -2 3 296.356 1.056 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]C2CC(C)C2)cc1C(=O)[O-] ZINC000573114489 294756470 /nfs/dbraw/zinc/75/64/70/294756470.db2.gz FKLOCIPMGYJDJS-UHFFFAOYSA-N -2 3 273.310 1.363 20 0 CDADHL CS(=O)(=O)[N-]c1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC001591680296 1173678502 /nfs/dbraw/zinc/67/85/02/1173678502.db2.gz ZPCDMXCBKSUSEF-UHFFFAOYSA-N -2 3 299.381 1.179 20 0 CDADHL O=C(N[C@H](c1nnn[n-]1)c1ccccc1)c1ccccc1[O-] ZINC000678960321 483234298 /nfs/dbraw/zinc/23/42/98/483234298.db2.gz KPEUHWSHFOMGHR-ZDUSSCGKSA-N -2 3 295.302 1.425 20 0 CDADHL O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1ccccc1[O-] ZINC000678960321 483234302 /nfs/dbraw/zinc/23/43/02/483234302.db2.gz KPEUHWSHFOMGHR-ZDUSSCGKSA-N -2 3 295.302 1.425 20 0 CDADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)C1CCC1 ZINC000137662689 483533388 /nfs/dbraw/zinc/53/33/88/483533388.db2.gz KVPDPLSPWLDQOB-SSDOTTSWSA-N -2 3 289.378 1.913 20 0 CDADHL CC1N=NC(C(=O)Nc2cc(F)ccc2[O-])=C1[O-] ZINC000676632010 483545058 /nfs/dbraw/zinc/54/50/58/483545058.db2.gz BROHFEOHNZLBAX-UHFFFAOYSA-N -2 3 251.217 1.521 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccoc2)c(F)c1 ZINC000169106460 534546118 /nfs/dbraw/zinc/54/61/18/534546118.db2.gz TVGNGTIURQEUTQ-UHFFFAOYSA-N -2 3 299.279 1.595 20 0 CDADHL CCn1c(=O)[n-]nc1SCc1ccc(C(=O)[O-])o1 ZINC000060059712 523092779 /nfs/dbraw/zinc/09/27/79/523092779.db2.gz WOHCCPFTWYHKHV-UHFFFAOYSA-N -2 3 269.282 1.175 20 0 CDADHL CCn1c(=O)[n-]nc1SCc1cc(C)c(C(=O)[O-])o1 ZINC000059880607 523093641 /nfs/dbraw/zinc/09/36/41/523093641.db2.gz BVCWUZIWASOQKW-UHFFFAOYSA-N -2 3 283.309 1.483 20 0 CDADHL O=C([O-])CCNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000095154670 1174499615 /nfs/dbraw/zinc/49/96/15/1174499615.db2.gz CVKLAZYRXAKVOA-UHFFFAOYSA-N -2 3 267.676 1.407 20 0 CDADHL O=C([O-])CCNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000095154670 1174499617 /nfs/dbraw/zinc/49/96/17/1174499617.db2.gz CVKLAZYRXAKVOA-UHFFFAOYSA-N -2 3 267.676 1.407 20 0 CDADHL C[C@@]1(C(=O)[O-])CCN(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000095231899 1174516320 /nfs/dbraw/zinc/51/63/20/1174516320.db2.gz QGJFDJHDFQYDIW-CYBMUJFWSA-N -2 3 273.296 1.168 20 0 CDADHL O=C([O-])[C@@H](CC1CCOCC1)NC(=O)c1ccccc1[O-] ZINC001601412588 1174862066 /nfs/dbraw/zinc/86/20/66/1174862066.db2.gz OEEYWFZZMRDLDO-GFCCVEGCSA-N -2 3 293.319 1.392 20 0 CDADHL O=C([O-])C1(C(=O)NCc2ncccc2[O-])CC2(CCC2)C1 ZINC001601702642 1174954660 /nfs/dbraw/zinc/95/46/60/1174954660.db2.gz LZXHHTSZGMTVMY-UHFFFAOYSA-N -2 3 290.319 1.439 20 0 CDADHL Cc1ncsc1C(=O)[N-]c1nnc(CCC(=O)[O-])s1 ZINC000738892279 575933897 /nfs/dbraw/zinc/93/38/97/575933897.db2.gz HCJXOPGDZBZURN-UHFFFAOYSA-N -2 3 298.349 1.573 20 0 CDADHL COc1ccc([O-])c(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)c1 ZINC000738041349 576033615 /nfs/dbraw/zinc/03/36/15/576033615.db2.gz ICDYCWJIDSENSX-VIFPVBQESA-N -2 3 294.307 1.273 20 0 CDADHL Nc1ccc(C(=O)NC2(C(=O)[O-])CCCC2)c([O-])c1 ZINC000763097414 576712299 /nfs/dbraw/zinc/71/22/99/576712299.db2.gz DFFGBLCBJOYKAK-UHFFFAOYSA-N -2 3 264.281 1.102 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)CCCC(F)(F)F ZINC001601995358 1175105163 /nfs/dbraw/zinc/10/51/63/1175105163.db2.gz QVWAEASGOVSSBE-UHFFFAOYSA-N -2 3 257.208 1.632 20 0 CDADHL COCCS(=O)(=O)[N-]c1cc(Cl)cc(C(=O)[O-])c1 ZINC000166567178 600394839 /nfs/dbraw/zinc/39/48/39/600394839.db2.gz NAZKJTRVEINFBB-UHFFFAOYSA-N -2 3 293.728 1.426 20 0 CDADHL C/C(=C\COC(=O)c1cc(-c2ccco2)[n-]n1)C(=O)[O-] ZINC000825769198 601414292 /nfs/dbraw/zinc/41/42/92/601414292.db2.gz KNWZPCQSNBRSCX-XBXARRHUSA-N -2 3 276.248 1.857 20 0 CDADHL CCc1cccc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1[O-] ZINC000830260250 601760054 /nfs/dbraw/zinc/76/00/54/601760054.db2.gz ZBSBXIVHTCDOPX-NSHDSACASA-N -2 3 293.319 1.270 20 0 CDADHL O=C([O-])C1(CNC(=O)c2c([O-])cccc2O)CCCC1 ZINC000232429965 604774094 /nfs/dbraw/zinc/77/40/94/604774094.db2.gz DARORONULAJUDO-UHFFFAOYSA-N -2 3 279.292 1.473 20 0 CDADHL C[C@H](CC(=O)[O-])n1cc(-c2ccc(=O)[n-]c2F)cn1 ZINC000901027848 623820450 /nfs/dbraw/zinc/82/04/50/623820450.db2.gz IEDSKJLNENAVRA-SSDOTTSWSA-N -2 3 265.244 1.826 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]C[C@H]2C=CCC2)oc1C(=O)[O-] ZINC000902988699 625731390 /nfs/dbraw/zinc/73/13/90/625731390.db2.gz UVHVIDFEBHSBGJ-VIFPVBQESA-N -2 3 285.321 1.531 20 0 CDADHL COc1cccc([O-])c1C(=O)NCCc1n[n-]c(=S)o1 ZINC000907461587 627684904 /nfs/dbraw/zinc/68/49/04/627684904.db2.gz MZLPQLQSYDQSSD-UHFFFAOYSA-N -2 3 295.320 1.045 20 0 CDADHL C[C@@H](CC(=O)[O-])NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000908487115 628237052 /nfs/dbraw/zinc/23/70/52/628237052.db2.gz ASBLKROSNAAEDN-VIFPVBQESA-N -2 3 283.299 1.833 20 0 CDADHL CC(C)(C(=O)[O-])C(=O)NCc1ccc([O-])c(F)c1 ZINC000909923821 628758206 /nfs/dbraw/zinc/75/82/06/628758206.db2.gz ROGWCXAHFFGWRV-UHFFFAOYSA-N -2 3 255.245 1.258 20 0 CDADHL CC(C)[C@H](CO)O[N-]C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000911815615 629509042 /nfs/dbraw/zinc/50/90/42/629509042.db2.gz XKPQTEGYYDFPCS-NSHDSACASA-N -2 3 287.356 1.476 20 0 CDADHL COc1ccccc1CO[N-]C(=O)CCCCC(=O)[O-] ZINC000911803990 629534081 /nfs/dbraw/zinc/53/40/81/629534081.db2.gz BAHDXTKNJBBMBR-UHFFFAOYSA-N -2 3 281.308 1.888 20 0 CDADHL Cc1cc(=O)[n-]c(CN[C@@H](C)c2ncc(C(=O)[O-])s2)n1 ZINC001607699971 1164274555 /nfs/dbraw/zinc/27/45/55/1164274555.db2.gz TZOJBMPJJQNNKL-ZETCQYMHSA-N -2 3 294.336 1.496 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]Cc2cccn2C)oc1C(=O)[O-] ZINC001607707281 1164276994 /nfs/dbraw/zinc/27/69/94/1164276994.db2.gz XLLGEGIYXNRHOM-UHFFFAOYSA-N -2 3 298.320 1.103 20 0 CDADHL O=C([O-])[C@H]1C[C@@H](C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)C1 ZINC001608821877 1164652917 /nfs/dbraw/zinc/65/29/17/1164652917.db2.gz NHEUJMSNOIDJGE-KNVOCYPGSA-N -2 3 275.264 1.318 20 0 CDADHL Cc1cc(F)c(CNC[C@H](CC(=O)[O-])C(=O)[O-])c(F)c1 ZINC001647414481 1168665079 /nfs/dbraw/zinc/66/50/79/1168665079.db2.gz RLASTLOXLKBUAW-QMMMGPOBSA-N -2 3 287.262 1.538 20 0 CDADHL CC[C@@H](C)n1[n-]c(-c2cccc(-c3nn[n-]n3)c2)cc1=O ZINC001590412629 1173398752 /nfs/dbraw/zinc/39/87/52/1173398752.db2.gz NICVPDCJYQILTF-SECBINFHSA-N -2 3 284.323 1.602 20 0 CDADHL CCO[C@H](CC)C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001590783067 1173509586 /nfs/dbraw/zinc/50/95/86/1173509586.db2.gz WILOOFVMMMLLBD-LLVKDONJSA-N -2 3 291.311 1.092 20 0 CDADHL CCO[C@H](CC)C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001590783067 1173509590 /nfs/dbraw/zinc/50/95/90/1173509590.db2.gz WILOOFVMMMLLBD-LLVKDONJSA-N -2 3 291.311 1.092 20 0 CDADHL Cc1c(Cl)cnc(N[C@H](C)C(=O)[O-])c1-c1nnn[n-]1 ZINC001591821695 1173709134 /nfs/dbraw/zinc/70/91/34/1173709134.db2.gz OHHNHAQYXAUJGF-RXMQYKEDSA-N -2 3 282.691 1.109 20 0 CDADHL Cc1c(Cl)cnc(N[C@H](C)C(=O)[O-])c1-c1nn[n-]n1 ZINC001591821695 1173709139 /nfs/dbraw/zinc/70/91/39/1173709139.db2.gz OHHNHAQYXAUJGF-RXMQYKEDSA-N -2 3 282.691 1.109 20 0 CDADHL O=C([O-])CCCCCNc1ccc(-c2nnn[n-]2)nc1 ZINC001593277583 1174045973 /nfs/dbraw/zinc/04/59/73/1174045973.db2.gz DAHRKPZYZJVAIK-UHFFFAOYSA-N -2 3 276.300 1.319 20 0 CDADHL O=C([O-])CCCCCNc1ccc(-c2nn[n-]n2)nc1 ZINC001593277583 1174045979 /nfs/dbraw/zinc/04/59/79/1174045979.db2.gz DAHRKPZYZJVAIK-UHFFFAOYSA-N -2 3 276.300 1.319 20 0 CDADHL O=c1cc(-c2ccccc2)nc(SCc2nnn[n-]2)[n-]1 ZINC000095250071 1174519258 /nfs/dbraw/zinc/51/92/58/1174519258.db2.gz MOZPWZUYWHGVAH-UHFFFAOYSA-N -2 3 286.320 1.655 20 0 CDADHL O=c1cc(-c2ccccc2)nc(SCc2nn[n-]n2)[n-]1 ZINC000095250071 1174519265 /nfs/dbraw/zinc/51/92/65/1174519265.db2.gz MOZPWZUYWHGVAH-UHFFFAOYSA-N -2 3 286.320 1.655 20 0 CDADHL O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)c3ccccc3[O-])[C@@H]2C1 ZINC001601576151 1174905342 /nfs/dbraw/zinc/90/53/42/1174905342.db2.gz PCWJPGSBZIRAIN-DMWPJOQESA-N -2 3 275.304 1.621 20 0 CDADHL O=C([O-])c1nsc([N-]C(=O)c2cccc(F)n2)n1 ZINC001601629231 1174917023 /nfs/dbraw/zinc/91/70/23/1174917023.db2.gz BOMSQFSXQYPDKG-UHFFFAOYSA-N -2 3 268.229 1.023 20 0 CDADHL O=C([O-])[C@@]1(c2ccccc2)CCN(c2cc(=O)[n-]cn2)C1 ZINC001601728190 1174970240 /nfs/dbraw/zinc/97/02/40/1174970240.db2.gz JIEKOQIPGOVZBY-HNNXBMFYSA-N -2 3 285.303 1.415 20 0 CDADHL O=C([O-])C[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)C1CC1 ZINC001601903907 1175058488 /nfs/dbraw/zinc/05/84/88/1175058488.db2.gz KFTRZUZKCITWDM-SECBINFHSA-N -2 3 292.270 1.080 20 0 CDADHL CC(C)(C)C[C@H](NC(=O)c1ccc(N)cc1[O-])C(=O)[O-] ZINC001603328009 1175540330 /nfs/dbraw/zinc/54/03/30/1175540330.db2.gz RXNQLALSZAAULW-JTQLQIEISA-N -2 3 280.324 1.594 20 0 CDADHL CS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1OCC(F)F ZINC001607376779 1164161654 /nfs/dbraw/zinc/16/16/54/1164161654.db2.gz ZUDDRHNAXSCZGU-UHFFFAOYSA-N -2 3 295.263 1.400 20 0 CDADHL Cc1ccc([O-])c(NC(=O)c2cncc(C(=O)[O-])c2)n1 ZINC001607811589 1164305412 /nfs/dbraw/zinc/30/54/12/1164305412.db2.gz OUYWWCXFXWVHAC-UHFFFAOYSA-N -2 3 273.248 1.441 20 0 CDADHL Nc1ccc(C(=O)N2CCC[C@H](CC(=O)[O-])CC2)c([O-])c1 ZINC000844935881 728348458 /nfs/dbraw/zinc/34/84/58/728348458.db2.gz NMNIJZMSNRAUJN-JTQLQIEISA-N -2 3 292.335 1.691 20 0 CDADHL CC(C)(C)O[N-]C(=O)Cc1cccc(C(=O)[O-])c1 ZINC001609668837 1165032614 /nfs/dbraw/zinc/03/26/14/1165032614.db2.gz TWDPXYJFYAGNOE-UHFFFAOYSA-N -2 3 251.282 1.774 20 0 CDADHL Cc1coc(CC(=O)[O-])c1C(=O)Nc1nc(C)ccc1[O-] ZINC001610510001 1165334878 /nfs/dbraw/zinc/33/48/78/1165334878.db2.gz TULOGHBIVRHEKM-UHFFFAOYSA-N -2 3 290.275 1.876 20 0 CDADHL COc1nonc1[N-]c1ccc(C(=O)[O-])c(F)c1 ZINC001175154721 913463881 /nfs/dbraw/zinc/46/38/81/913463881.db2.gz RAXKSEOAWXIZGV-UHFFFAOYSA-N -2 3 253.189 1.659 20 0 CDADHL C[C@H](CC(F)(F)F)C(=O)NCCCCP(=O)([O-])[O-] ZINC001179870423 916053971 /nfs/dbraw/zinc/05/39/71/916053971.db2.gz MBCJGVITIMTOFO-SSDOTTSWSA-N -2 3 291.206 1.649 20 0 CDADHL CC1(C)C[C@H](C(=O)NCCCCP(=O)([O-])[O-])CCO1 ZINC001182026703 917589255 /nfs/dbraw/zinc/58/92/55/917589255.db2.gz OVSBOPMCGOIPQC-SNVBAGLBSA-N -2 3 293.300 1.266 20 0 CDADHL CC1(C)CC[C@H](C(=O)NCCCCP(=O)([O-])[O-])C1 ZINC001185174895 919456576 /nfs/dbraw/zinc/45/65/76/919456576.db2.gz RLCVWAICTJBOTE-JTQLQIEISA-N -2 3 277.301 1.887 20 0 CDADHL CCCCNC(=O)NCCCCP(=O)([O-])[O-] ZINC001190632041 922114927 /nfs/dbraw/zinc/11/49/27/922114927.db2.gz VPOQWWVMOFGJNY-UHFFFAOYSA-N -2 3 252.251 1.044 20 0 CDADHL COc1ccnc(C(=O)Nc2cc(=O)[n-]c(Cl)n2)c1[O-] ZINC001193524594 923772701 /nfs/dbraw/zinc/77/27/01/923772701.db2.gz FYDLKGAGWSXCIT-UHFFFAOYSA-N -2 3 296.670 1.197 20 0 CDADHL COc1ccc(F)c(S(=O)(=O)[N-]c2cncc([O-])c2)c1 ZINC001196722278 924968816 /nfs/dbraw/zinc/96/88/16/924968816.db2.gz DTSHCDKCSUUHKB-UHFFFAOYSA-N -2 3 298.295 1.736 20 0 CDADHL CCc1ccccc1C(=O)NCCCCP(=O)([O-])[O-] ZINC001148417071 932709808 /nfs/dbraw/zinc/70/98/08/932709808.db2.gz ODBRXIMMOQVIIX-UHFFFAOYSA-N -2 3 285.280 1.937 20 0 CDADHL O=C([N-]NC(=O)c1c([O-])cccc1Cl)c1ccccn1 ZINC000049081312 934409280 /nfs/dbraw/zinc/40/92/80/934409280.db2.gz ISPJFAYGFHCRQV-UHFFFAOYSA-N -2 3 291.694 1.515 20 0 CDADHL O=C([O-])c1cc(Cl)cnc1NCCCc1c[n-][nH]c1=O ZINC001164375878 939468283 /nfs/dbraw/zinc/46/82/83/939468283.db2.gz WREUXTNBUYKETB-SSDOTTSWSA-N -2 3 296.714 1.357 20 0 CDADHL COC(=O)[C@H](OCCP(=O)([O-])[O-])c1ccc(F)cc1 ZINC001224608119 941775024 /nfs/dbraw/zinc/77/50/24/941775024.db2.gz ZHMBJDNAEDHRRX-SNVBAGLBSA-N -2 3 292.199 1.234 20 0 CDADHL CCOC(=O)[C@@H]1CCCC[C@H]1OCCP(=O)([O-])[O-] ZINC001224608109 941775340 /nfs/dbraw/zinc/77/53/40/941775340.db2.gz ZFNBHWHLLIRPGI-NXEZZACHSA-N -2 3 280.257 1.303 20 0 CDADHL CO[C@@H](C)CO[C@@H](C)COc1nc2ncnc-2c([S-])[n-]1 ZINC001226782033 942070253 /nfs/dbraw/zinc/07/02/53/942070253.db2.gz ONUHIXFXTPUCBU-YUMQZZPRSA-N -2 3 298.368 1.460 20 0 CDADHL O=c1nc2c(=O)[n-]c(=O)[nH]c2c(O[C@@H]2CCCC[C@@H]2F)[n-]1 ZINC001226886832 942088125 /nfs/dbraw/zinc/08/81/25/942088125.db2.gz ULCLZAPRAIZMOE-NTSWFWBYSA-N -2 3 296.258 1.196 20 0 CDADHL CCC[C@@H](NC(=O)c1ccc(F)c([O-])c1)c1nnn[n-]1 ZINC001362207697 971015695 /nfs/dbraw/zinc/01/56/95/971015695.db2.gz VJMMNIHCUVOABO-SECBINFHSA-N -2 3 279.275 1.316 20 0 CDADHL CCC[C@@H](NC(=O)c1ccc(F)c([O-])c1)c1nn[n-]n1 ZINC001362207697 971015706 /nfs/dbraw/zinc/01/57/06/971015706.db2.gz VJMMNIHCUVOABO-SECBINFHSA-N -2 3 279.275 1.316 20 0 CDADHL O=c1nc2cn[n-]c2c(O[C@@H]2CCOc3ccccc32)[n-]1 ZINC001233940218 943696419 /nfs/dbraw/zinc/69/64/19/943696419.db2.gz TXIFMZMRJFXGJY-LLVKDONJSA-N -2 3 284.275 1.549 20 0 CDADHL CC(=O)Nc1ccc([O-])c([N-]S(=O)(=O)C(F)F)c1 ZINC001259959490 945749526 /nfs/dbraw/zinc/74/95/26/945749526.db2.gz URONXZQMOHNZGG-UHFFFAOYSA-N -2 3 280.252 1.315 20 0 CDADHL CCc1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC001593635329 953607440 /nfs/dbraw/zinc/60/74/40/953607440.db2.gz LTOCYZMABGUDIU-MNOVXSKESA-N -2 3 277.320 1.938 20 0 CDADHL O=C([N-]OCc1cccnc1)c1cc(=O)[n-]c(C2CC2)n1 ZINC001329056378 955655348 /nfs/dbraw/zinc/65/53/48/955655348.db2.gz WAVAOTQUNIRXTI-UHFFFAOYSA-N -2 3 286.291 1.316 20 0 CDADHL CO[N-]C(=O)CNC(=O)c1cc2sccc2c([O-])c1 ZINC001304258546 956187279 /nfs/dbraw/zinc/18/72/79/956187279.db2.gz KQVMOLMVLRKLJN-UHFFFAOYSA-N -2 3 280.305 1.014 20 0 CDADHL C[C@@H]1CCN(C(=O)c2ccc(O)cc2[O-])[C@H](C(=O)[O-])C1 ZINC000125482603 958565757 /nfs/dbraw/zinc/56/57/57/958565757.db2.gz JNOPNKSWFBVALT-KCJUWKMLSA-N -2 3 279.292 1.423 20 0 CDADHL C[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)C(=O)[O-] ZINC001594206526 959273898 /nfs/dbraw/zinc/27/38/98/959273898.db2.gz HIQYKHGODUDKDZ-MRVPVSSYSA-N -2 3 259.261 1.748 20 0 CDADHL CCC(CC)(NC(=O)c1cc(F)ccc1[O-])c1nnn[n-]1 ZINC001467794637 970103942 /nfs/dbraw/zinc/10/39/42/970103942.db2.gz VYVDKXAVYPCSDA-UHFFFAOYSA-N -2 3 293.302 1.490 20 0 CDADHL CC[C@H](C)C[C@@H](NC(=O)c1ccc(O)cc1[O-])C(=O)[O-] ZINC000400481207 973286820 /nfs/dbraw/zinc/28/68/20/973286820.db2.gz WOCQHALTPOIRHO-GZMMTYOYSA-N -2 3 281.308 1.717 20 0 CDADHL O=C([O-])CCCCC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001606146291 973402376 /nfs/dbraw/zinc/40/23/76/973402376.db2.gz RDYFERGQQXVJGK-UHFFFAOYSA-N -2 3 278.268 1.648 20 0 CDADHL O=C([O-])c1ccc(C(=O)NCc2ncccc2[O-])cc1 ZINC001606478658 973956851 /nfs/dbraw/zinc/95/68/51/973956851.db2.gz LRJKRBWNJKDTIN-UHFFFAOYSA-N -2 3 272.260 1.415 20 0 CDADHL C[C@@H](CF)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000702580930 977092966 /nfs/dbraw/zinc/09/29/66/977092966.db2.gz VJRUEQVPCGHMDU-LURJTMIESA-N -2 3 279.264 1.160 20 0 CDADHL Cc1cccc([O-])c1C(=O)N[C@H]1CC=C(C(=O)[O-])C1 ZINC000706571019 977354847 /nfs/dbraw/zinc/35/48/47/977354847.db2.gz NXJBEYGVEQLBHV-JTQLQIEISA-N -2 3 261.277 1.604 20 0 CDADHL CCCC[C@@H](OC(=O)c1cccc2nn[n-]c21)C(=O)[O-] ZINC001595644775 981981468 /nfs/dbraw/zinc/98/14/68/981981468.db2.gz IYNZFEXNUNHBLD-SNVBAGLBSA-N -2 3 277.280 1.758 20 0 CDADHL CCCC[C@@H](OC(=O)c1cccc2n[n-]nc21)C(=O)[O-] ZINC001595644775 981981476 /nfs/dbraw/zinc/98/14/76/981981476.db2.gz IYNZFEXNUNHBLD-SNVBAGLBSA-N -2 3 277.280 1.758 20 0 CDADHL CC[C@@H](C)[C@H](OC(=O)c1cncc([O-])c1)C(=O)[O-] ZINC001594926835 982516791 /nfs/dbraw/zinc/51/67/91/982516791.db2.gz KXKVSHIOMAEGQQ-XCBNKYQSSA-N -2 3 253.254 1.443 20 0 CDADHL C=CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@H](C)C(=O)[O-])c1 ZINC001588661515 983786844 /nfs/dbraw/zinc/78/68/44/983786844.db2.gz LGPWMMUOORXNOS-MRVPVSSYSA-N -2 3 292.291 1.062 20 0 CDADHL C[C@H](NCc1c(F)ccc([O-])c1F)c1nc(C(=O)[O-])n[nH]1 ZINC001573580179 1170699186 /nfs/dbraw/zinc/69/91/86/1170699186.db2.gz XRXVRRUOYUDHCA-YFKPBYRVSA-N -2 3 298.249 1.338 20 0 CDADHL CC[C@@H](CSC)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000132115586 342069554 /nfs/dbraw/zinc/06/95/54/342069554.db2.gz QAFFRQBSMGTHFO-ZETCQYMHSA-N -2 3 293.366 1.398 20 0 CDADHL CCC(CC)(C[N-]S(=O)(=O)c1ccccn1)C(=O)[O-] ZINC000424367729 282120090 /nfs/dbraw/zinc/12/00/90/282120090.db2.gz NOKJZKSUUBXHNH-UHFFFAOYSA-N -2 3 286.353 1.251 20 0 CDADHL CCC[C@H](NC(=O)c1cc([O-])ccc1Cl)c1nnn[n-]1 ZINC000295012935 199299265 /nfs/dbraw/zinc/29/92/65/199299265.db2.gz PTPKAWYPPHIZAL-JTQLQIEISA-N -2 3 295.730 1.830 20 0 CDADHL CCC[C@H](NC(=O)c1cc([O-])ccc1Cl)c1nn[n-]n1 ZINC000295012935 199299267 /nfs/dbraw/zinc/29/92/67/199299267.db2.gz PTPKAWYPPHIZAL-JTQLQIEISA-N -2 3 295.730 1.830 20 0 CDADHL CC(C)=CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000229015520 346523312 /nfs/dbraw/zinc/52/33/12/346523312.db2.gz YQRHUTGGJNMGQO-UHFFFAOYSA-N -2 3 259.283 1.222 20 0 CDADHL CC(C)c1n[n-]c(=NC(=O)c2cc(C(F)F)[n-]n2)s1 ZINC000639483419 363032947 /nfs/dbraw/zinc/03/29/47/363032947.db2.gz UKQZWZNLFIEGIU-UHFFFAOYSA-N -2 3 287.295 1.996 20 0 CDADHL O=S(=O)(CCOCC1CC1)[N-]c1cc(F)ccc1[O-] ZINC000569836053 363128754 /nfs/dbraw/zinc/12/87/54/363128754.db2.gz WQPORYBTQQPQRO-UHFFFAOYSA-N -2 3 289.328 1.700 20 0 CDADHL CCc1ccc([O-])c(C(=O)N(C)CCCC(=O)[O-])c1 ZINC000455745920 363458773 /nfs/dbraw/zinc/45/87/73/363458773.db2.gz DOKGJFVTEGGRJJ-UHFFFAOYSA-N -2 3 265.309 1.891 20 0 CDADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2ccoc2)c1 ZINC000132499822 358565927 /nfs/dbraw/zinc/56/59/27/358565927.db2.gz UCJNWGDRUAGPKS-UHFFFAOYSA-N -2 3 287.318 1.518 20 0 CDADHL Cc1ccc(C(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)c([O-])c1 ZINC000436798721 361576729 /nfs/dbraw/zinc/57/67/29/361576729.db2.gz VJHWBMRHJXKXMG-UHFFFAOYSA-N -2 3 275.264 1.463 20 0 CDADHL O=C(NC1(c2nnn[n-]2)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000436838036 361587883 /nfs/dbraw/zinc/58/78/83/361587883.db2.gz JGHPMLRMKIWNCR-UHFFFAOYSA-N -2 3 299.334 1.203 20 0 CDADHL O=C(NC1(c2nn[n-]n2)CC1)c1cc2c(cc1[O-])CCCC2 ZINC000436838036 361587885 /nfs/dbraw/zinc/58/78/85/361587885.db2.gz JGHPMLRMKIWNCR-UHFFFAOYSA-N -2 3 299.334 1.203 20 0 CDADHL O=C([N-]O[C@H]1CCCCO1)c1ccc2n[n-]c(=S)n2c1 ZINC000283223617 368227705 /nfs/dbraw/zinc/22/77/05/368227705.db2.gz YKMLFVLWBCBNBU-JTQLQIEISA-N -2 3 294.336 1.206 20 0 CDADHL Cc1cc(CS(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)on1 ZINC000547559372 369585121 /nfs/dbraw/zinc/58/51/21/369585121.db2.gz YTBJXPLNUSGSFT-UHFFFAOYSA-N -2 3 296.304 1.623 20 0 CDADHL O=C(c1ccccc1[O-])N1CCCC[C@H]1c1n[nH]c(=O)[n-]1 ZINC000333226533 205134459 /nfs/dbraw/zinc/13/44/59/205134459.db2.gz FWLTUTBDHBSGPL-JTQLQIEISA-N -2 3 288.307 1.583 20 0 CDADHL COc1ccc(C(=O)N2CCC[C@@]2(C)C(=O)[O-])c([O-])c1 ZINC000079478413 374409366 /nfs/dbraw/zinc/40/93/66/374409366.db2.gz FHDRDMQJMGZCCI-AWEZNQCLSA-N -2 3 279.292 1.480 20 0 CDADHL CCc1nnc(C[N-]S(=O)(=O)c2ccccc2[O-])s1 ZINC000392091130 483045965 /nfs/dbraw/zinc/04/59/65/483045965.db2.gz KJEOXGDQIDYQHF-UHFFFAOYSA-N -2 3 299.377 1.285 20 0 CDADHL Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)c([O-])c1 ZINC000262763865 190062237 /nfs/dbraw/zinc/06/22/37/190062237.db2.gz GAUWZIDCLCPPQO-SKDRFNHKSA-N -2 3 279.292 1.015 20 0 CDADHL Cc1ccc(C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])c([O-])c1 ZINC000262778339 190062582 /nfs/dbraw/zinc/06/25/82/190062582.db2.gz IQGDLDKTJXBZAN-MRVPVSSYSA-N -2 3 291.225 1.836 20 0 CDADHL CC[C@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)C(=O)[O-] ZINC000647254955 390803043 /nfs/dbraw/zinc/80/30/43/390803043.db2.gz SCFMUCPWECRQSM-JTQLQIEISA-N -2 3 265.265 1.188 20 0 CDADHL CSCc1cccnc1C(=O)N=c1ccc([O-])n[n-]1 ZINC000362170532 159090213 /nfs/dbraw/zinc/09/02/13/159090213.db2.gz FYXXDJFFXRXWLF-UHFFFAOYSA-N -2 3 276.321 1.114 20 0 CDADHL COc1ccc([O-])c(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000037437830 173207873 /nfs/dbraw/zinc/20/78/73/173207873.db2.gz IXZONUGWTOJGGZ-LLVKDONJSA-N -2 3 279.292 1.480 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]C[C@@H]2CC2(C)C)oc1C(=O)[O-] ZINC000663423605 414244846 /nfs/dbraw/zinc/24/48/46/414244846.db2.gz XLBYEAJLRSIOKC-QMMMGPOBSA-N -2 3 287.337 1.611 20 0 CDADHL O=C([O-])[C@H]1CCCN(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000652451915 424451803 /nfs/dbraw/zinc/45/18/03/424451803.db2.gz LCENLSJCVRGAGL-JTQLQIEISA-N -2 3 277.324 1.356 20 0 CDADHL CC[C@@H](Sc1ccc(-c2nnn[n-]2)c(C)n1)C(=O)[O-] ZINC001590482917 1173431404 /nfs/dbraw/zinc/43/14/04/1173431404.db2.gz SHBBCRYWPJFVSM-MRVPVSSYSA-N -2 3 279.325 1.525 20 0 CDADHL CC[C@@H](Sc1ccc(-c2nn[n-]n2)c(C)n1)C(=O)[O-] ZINC001590482917 1173431407 /nfs/dbraw/zinc/43/14/07/1173431407.db2.gz SHBBCRYWPJFVSM-MRVPVSSYSA-N -2 3 279.325 1.525 20 0 CDADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@H]2C=C[C@@H](C(=O)[O-])C2)c1 ZINC000092181553 289051659 /nfs/dbraw/zinc/05/16/59/289051659.db2.gz HAFRGNLJICIWFI-ZJUUUORDSA-N -2 3 299.323 1.442 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(=O)[O-])o1 ZINC000567809840 293874931 /nfs/dbraw/zinc/87/49/31/293874931.db2.gz CHBLRZUVKVHJAD-VIFPVBQESA-N -2 3 289.353 1.756 20 0 CDADHL CC[C@H](C)[C@H](Nc1cccc(F)c1-c1nnn[n-]1)C(=O)[O-] ZINC001590867542 1173533972 /nfs/dbraw/zinc/53/39/72/1173533972.db2.gz FJEZZNXFWSDUHS-CPCISQLKSA-N -2 3 293.302 1.917 20 0 CDADHL CC[C@H](C)[C@H](Nc1cccc(F)c1-c1nn[n-]n1)C(=O)[O-] ZINC001590867542 1173533979 /nfs/dbraw/zinc/53/39/79/1173533979.db2.gz FJEZZNXFWSDUHS-CPCISQLKSA-N -2 3 293.302 1.917 20 0 CDADHL C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000576224280 317098959 /nfs/dbraw/zinc/09/89/59/317098959.db2.gz IMDAUOITXJQQEA-PSASIEDQSA-N -2 3 287.337 1.835 20 0 CDADHL CCc1ncc(S(=O)(=O)[N-][C@H](C)[C@H](C)C(=O)[O-])s1 ZINC000579561486 324216067 /nfs/dbraw/zinc/21/60/67/324216067.db2.gz QEBTZYGIUPOLFR-NKWVEPMBSA-N -2 3 292.382 1.093 20 0 CDADHL CC[C@H](CNC(=O)c1cc(OC)ccc1[O-])C(=O)[O-] ZINC000087481460 482860246 /nfs/dbraw/zinc/86/02/46/482860246.db2.gz ATIBCRQIRXAKRO-MRVPVSSYSA-N -2 3 267.281 1.241 20 0 CDADHL O=C([O-])[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C1CC1 ZINC000054502510 526310939 /nfs/dbraw/zinc/31/09/39/526310939.db2.gz DJLYTJGZKLMLLE-CYBMUJFWSA-N -2 3 286.287 1.121 20 0 CDADHL Cc1coc(C(=O)[N-]c2nc(C(=O)[O-])ns2)c1 ZINC001600640665 1174547458 /nfs/dbraw/zinc/54/74/58/1174547458.db2.gz YBFYPPVZXVVUFV-UHFFFAOYSA-N -2 3 253.239 1.390 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]CC[C@H](C)F)cc1C(=O)[O-] ZINC001600857338 1174645635 /nfs/dbraw/zinc/64/56/35/1174645635.db2.gz IAJXQEQIBQOOCZ-LURJTMIESA-N -2 3 279.289 1.313 20 0 CDADHL CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000819788936 597393226 /nfs/dbraw/zinc/39/32/26/597393226.db2.gz TVGNZIIVFHBUSL-NSHDSACASA-N -2 3 292.291 1.040 20 0 CDADHL CC(C)(CC(=O)[O-])NC(=O)c1ccc(O)cc1[O-] ZINC000084145601 600780441 /nfs/dbraw/zinc/78/04/41/600780441.db2.gz OFECFLUREJZLKB-UHFFFAOYSA-N -2 3 253.254 1.081 20 0 CDADHL CSc1nc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)n[n-]1 ZINC000832798805 600917185 /nfs/dbraw/zinc/91/71/85/600917185.db2.gz MLPLGCJMPVWFQM-RQJHMYQMSA-N -2 3 284.341 1.356 20 0 CDADHL CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cnn[n-]2)cc1 ZINC000131121172 600931902 /nfs/dbraw/zinc/93/19/02/600931902.db2.gz YACFPRFLLUNQLL-UHFFFAOYSA-N -2 3 274.280 1.419 20 0 CDADHL CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cn[n-]n2)cc1 ZINC000131121172 600931905 /nfs/dbraw/zinc/93/19/05/600931905.db2.gz YACFPRFLLUNQLL-UHFFFAOYSA-N -2 3 274.280 1.419 20 0 CDADHL C[C@H](C[N-]S(=O)(=O)c1occc1C(=O)[O-])C(C)(C)C ZINC000903015746 625751224 /nfs/dbraw/zinc/75/12/24/625751224.db2.gz BYEDXUYARDHFMH-MRVPVSSYSA-N -2 3 289.353 1.938 20 0 CDADHL C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)Cc1ccc([O-])c(F)c1 ZINC000909998704 628808493 /nfs/dbraw/zinc/80/84/93/628808493.db2.gz FDJDMCWOESJLGR-WFASDCNBSA-N -2 3 295.310 1.833 20 0 CDADHL Cc1cc(-c2nnn[n-]2)cc(N[C@@H]2CC[C@H](C(=O)[O-])C2)n1 ZINC001605535008 1163602033 /nfs/dbraw/zinc/60/20/33/1163602033.db2.gz OXKIFDZXWUENKI-WCBMZHEXSA-N -2 3 288.311 1.235 20 0 CDADHL Cc1cc(-c2nn[n-]n2)cc(N[C@@H]2CC[C@H](C(=O)[O-])C2)n1 ZINC001605535008 1163602035 /nfs/dbraw/zinc/60/20/35/1163602035.db2.gz OXKIFDZXWUENKI-WCBMZHEXSA-N -2 3 288.311 1.235 20 0 CDADHL O=C([N-]c1nncs1)c1sccc1-c1nn[n-]n1 ZINC001606954745 1164034985 /nfs/dbraw/zinc/03/49/85/1164034985.db2.gz YFQFSZMVUXIWBR-UHFFFAOYSA-N -2 3 279.310 1.032 20 0 CDADHL O=C([O-])c1ccc(CNC(=O)c2cccc3n[n-]nc32)o1 ZINC001608884644 1164673945 /nfs/dbraw/zinc/67/39/45/1164673945.db2.gz IRUFRSKBYXJPOF-UHFFFAOYSA-N -2 3 286.247 1.179 20 0 CDADHL O=C([O-])CSc1c(F)cc(-c2nnn[n-]2)cc1F ZINC001609572237 1164992147 /nfs/dbraw/zinc/99/21/47/1164992147.db2.gz MLDKNWLFSRFMKM-UHFFFAOYSA-N -2 3 272.236 1.322 20 0 CDADHL O=C([O-])CSc1c(F)cc(-c2nn[n-]n2)cc1F ZINC001609572237 1164992153 /nfs/dbraw/zinc/99/21/53/1164992153.db2.gz MLDKNWLFSRFMKM-UHFFFAOYSA-N -2 3 272.236 1.322 20 0 CDADHL O=C([O-])CN(CC1CC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000095152173 1166598537 /nfs/dbraw/zinc/59/85/37/1166598537.db2.gz PCYZNJMPPYEOKK-UHFFFAOYSA-N -2 3 291.286 1.307 20 0 CDADHL O=C([O-])[C@@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC000095338417 1166624635 /nfs/dbraw/zinc/62/46/35/1166624635.db2.gz DISSSOSZJDRFRX-MRVPVSSYSA-N -2 3 291.286 1.307 20 0 CDADHL O=C([O-])[C@@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC000095338417 1166624629 /nfs/dbraw/zinc/62/46/29/1166624629.db2.gz DISSSOSZJDRFRX-MRVPVSSYSA-N -2 3 291.286 1.307 20 0 CDADHL CC(C)C[C@@H](CNc1cccc(-c2nnn[n-]2)n1)C(=O)[O-] ZINC001589556072 1173157525 /nfs/dbraw/zinc/15/75/25/1173157525.db2.gz FNLCKGQAYRCUJR-VIFPVBQESA-N -2 3 290.327 1.421 20 0 CDADHL CC[C@@H](C)N(OC)C(=O)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001590412433 1173400689 /nfs/dbraw/zinc/40/06/89/1173400689.db2.gz OWVJCSOLAHIJGX-MRVPVSSYSA-N -2 3 291.311 1.374 20 0 CDADHL Cc1ccc(N[C@@H]2CCC[C@@H]2C(=O)[O-])nc1-c1nnn[n-]1 ZINC001592185161 1173830320 /nfs/dbraw/zinc/83/03/20/1173830320.db2.gz LNRZTRFRYFVBMG-DTWKUNHWSA-N -2 3 288.311 1.235 20 0 CDADHL O=C(/C=C\c1ccc(C(=O)[O-])o1)Nc1ncccc1[O-] ZINC001601237038 1174804946 /nfs/dbraw/zinc/80/49/46/1174804946.db2.gz BFAHDPGWYRBTPC-XQRVVYSFSA-N -2 3 274.232 1.730 20 0 CDADHL O=C([O-])[C@H](OC(=O)Cc1ccc([O-])c(F)c1)C1CC1 ZINC001601361493 1174845848 /nfs/dbraw/zinc/84/58/48/1174845848.db2.gz LXVCRWBBTRMWTM-GFCCVEGCSA-N -2 3 268.240 1.480 20 0 CDADHL O=C([O-])[C@@H]1CN(C(=O)c2cc(=O)[n-]cn2)Cc2ccccc21 ZINC001601846426 1175034397 /nfs/dbraw/zinc/03/43/97/1175034397.db2.gz ZMRLPYYRJTYGKJ-LLVKDONJSA-N -2 3 299.286 1.006 20 0 CDADHL O=C([O-])c1ccc(CN2CCC(c3n[nH]c(=O)[n-]3)CC2)o1 ZINC001602338102 1175211280 /nfs/dbraw/zinc/21/12/80/1175211280.db2.gz QHNAQDCGKVNUNH-UHFFFAOYSA-N -2 3 292.295 1.181 20 0 CDADHL C[C@@H](CC(=O)[N-]OCCCC(=O)[O-])[C@H]1CCCO1 ZINC001604068114 1175741700 /nfs/dbraw/zinc/74/17/00/1175741700.db2.gz KJFRTHAXHZYGGJ-VHSXEESVSA-N -2 3 259.302 1.104 20 0 CDADHL Cc1cc(F)c(CN[C@H](CC(=O)[O-])C(=O)[O-])c(F)c1 ZINC001771910398 1186947981 /nfs/dbraw/zinc/94/79/81/1186947981.db2.gz CGONTGDFJHBUBX-SNVBAGLBSA-N -2 3 273.235 1.291 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)C1(Cc2ccccc2)CC1 ZINC001608715925 1164618066 /nfs/dbraw/zinc/61/80/66/1164618066.db2.gz MHLAKWZUKXYNOA-UHFFFAOYSA-N -2 3 277.320 1.922 20 0 CDADHL O=C([O-])[C@H]1CC[C@H](C(=O)Nc2ncccc2[O-])CC1 ZINC001608820814 1164651337 /nfs/dbraw/zinc/65/13/37/1164651337.db2.gz OYWWLACZUFAUDL-KYZUINATSA-N -2 3 264.281 1.617 20 0 CDADHL O=C([N-][N-]S(=O)(=O)c1cccc(F)c1)C1CCCC1 ZINC000029048617 728428183 /nfs/dbraw/zinc/42/81/83/728428183.db2.gz MVDOGIADGUOSDO-UHFFFAOYSA-N -2 3 286.328 1.325 20 0 CDADHL O=C([N-]OC/C=C/Cl)c1n[n-]c2ccccc2c1=O ZINC000812405696 729029658 /nfs/dbraw/zinc/02/96/58/729029658.db2.gz FAZOEXDARPYLHX-ZZXKWVIFSA-N -2 3 279.683 1.749 20 0 CDADHL CC(C)C[C@H](CNc1ncccc1-c1nnn[n-]1)C(=O)[O-] ZINC001609093105 1164767318 /nfs/dbraw/zinc/76/73/18/1164767318.db2.gz PHZHRNQXXTYLJD-SECBINFHSA-N -2 3 290.327 1.421 20 0 CDADHL CC(C)C[C@H](CNc1ncccc1-c1nn[n-]n1)C(=O)[O-] ZINC001609093105 1164767322 /nfs/dbraw/zinc/76/73/22/1164767322.db2.gz PHZHRNQXXTYLJD-SECBINFHSA-N -2 3 290.327 1.421 20 0 CDADHL C[C@@H]1CN=C([N-]C(=O)C(=O)c2ccc([O-])cc2)S1 ZINC000819777521 729652235 /nfs/dbraw/zinc/65/22/35/729652235.db2.gz KFZDLAUAXDWKAG-SSDOTTSWSA-N -2 3 264.306 1.182 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H]1CC12CCCCC2 ZINC000871993287 729850978 /nfs/dbraw/zinc/85/09/78/729850978.db2.gz GLTSONLCMGKZKG-SNVBAGLBSA-N -2 3 299.348 1.979 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@H]2C=CCC2)oc1C(=O)[O-] ZINC000853231413 729960477 /nfs/dbraw/zinc/96/04/77/729960477.db2.gz VLAFHHCVAHGRKO-QMMMGPOBSA-N -2 3 271.294 1.283 20 0 CDADHL O=C(Nc1ncccc1[O-])c1n[n-]c2ccccc2c1=O ZINC000109934325 730384758 /nfs/dbraw/zinc/38/47/58/730384758.db2.gz VWXYERJREBVHNI-UHFFFAOYSA-N -2 3 282.259 1.276 20 0 CDADHL CCC[C@](C)(NC(=O)NCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000780685821 730393936 /nfs/dbraw/zinc/39/39/36/730393936.db2.gz FJVHCUIZGAMNIG-AWEZNQCLSA-N -2 3 298.314 1.974 20 0 CDADHL O=C([O-])CC[C@H](CC1CCCCC1)NC(=O)c1cn[n-]n1 ZINC001610765822 1165434290 /nfs/dbraw/zinc/43/42/90/1165434290.db2.gz STPMYEFJMFBHGP-LLVKDONJSA-N -2 3 294.355 1.738 20 0 CDADHL Cc1nc(NC(=O)c2ccc(F)c([O-])c2F)cc(=O)[n-]1 ZINC001193770838 923879615 /nfs/dbraw/zinc/87/96/15/923879615.db2.gz RJAPRWNFKBPHOK-UHFFFAOYSA-N -2 3 281.218 1.727 20 0 CDADHL C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195186209 924489648 /nfs/dbraw/zinc/48/96/48/924489648.db2.gz HBPMLYOWUILFJG-MLUIRONXSA-N -2 3 291.275 1.350 20 0 CDADHL CC(=O)c1ccc(C(=O)NCCCCP(=O)([O-])[O-])cc1 ZINC001148311554 932688539 /nfs/dbraw/zinc/68/85/39/932688539.db2.gz UZTQGBNXIZTKGW-UHFFFAOYSA-N -2 3 299.263 1.577 20 0 CDADHL CC[C@H]1OC(=O)C(OCCCCP(=O)([O-])[O-])=C1C ZINC001225023070 941815943 /nfs/dbraw/zinc/81/59/43/941815943.db2.gz UDSWGBZRQCFTRN-SECBINFHSA-N -2 3 278.241 1.570 20 0 CDADHL O=C([O-])c1cc(-c2cncc(-c3nnn[n-]3)c2)ccc1F ZINC001241245438 946201703 /nfs/dbraw/zinc/20/17/03/946201703.db2.gz CTFACHFLXKGDOZ-UHFFFAOYSA-N -2 3 285.238 1.766 20 0 CDADHL O=C([O-])c1cc(-c2cncc(-c3nn[n-]n3)c2)ccc1F ZINC001241245438 946201713 /nfs/dbraw/zinc/20/17/13/946201713.db2.gz CTFACHFLXKGDOZ-UHFFFAOYSA-N -2 3 285.238 1.766 20 0 CDADHL O=C([O-])c1cncc(-c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC001241803968 946478166 /nfs/dbraw/zinc/47/81/66/946478166.db2.gz WBZVSMXUOGUAJU-UHFFFAOYSA-N -2 3 285.238 1.766 20 0 CDADHL O=C([O-])c1cncc(-c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC001241803968 946478171 /nfs/dbraw/zinc/47/81/71/946478171.db2.gz WBZVSMXUOGUAJU-UHFFFAOYSA-N -2 3 285.238 1.766 20 0 CDADHL O=C1[N-]S(=O)(=O)c2ccc(-c3ccc(F)c([O-])c3)cc21 ZINC001243049419 946998173 /nfs/dbraw/zinc/99/81/73/946998173.db2.gz NSOMDQNWWMOBQW-UHFFFAOYSA-N -2 3 293.275 1.630 20 0 CDADHL O=S(=O)(CC(F)(F)F)[N-]c1ccc(F)c([O-])c1 ZINC001253183450 951784402 /nfs/dbraw/zinc/78/44/02/951784402.db2.gz GMTYHBQXXVMPTF-UHFFFAOYSA-N -2 3 273.207 1.835 20 0 CDADHL CC(=O)c1cccc([N-]S(=O)(=O)CC(F)(F)F)c1[O-] ZINC001253188769 951786586 /nfs/dbraw/zinc/78/65/86/951786586.db2.gz FNADDHZNGDGANG-UHFFFAOYSA-N -2 3 297.254 1.899 20 0 CDADHL CCCCS(=O)(=O)[N-]c1c([O-])cccc1C(=O)OC ZINC001253856079 952147958 /nfs/dbraw/zinc/14/79/58/952147958.db2.gz TWDZVNAPCKCCRX-UHFFFAOYSA-N -2 3 287.337 1.721 20 0 CDADHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1c(F)cccc1F ZINC001363491381 953375497 /nfs/dbraw/zinc/37/54/97/953375497.db2.gz RWCWYEIQSMNDMU-UHFFFAOYSA-N -2 3 281.218 1.096 20 0 CDADHL CCc1ccc(C(=O)N[C@@H](C(=O)[O-])C(C)C)c([O-])c1 ZINC001593635567 953608614 /nfs/dbraw/zinc/60/86/14/953608614.db2.gz WKDIAKYGRQKJHP-GFCCVEGCSA-N -2 3 265.309 1.794 20 0 CDADHL O=C([O-])C1(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC=CC1 ZINC001594869746 954340498 /nfs/dbraw/zinc/34/04/98/954340498.db2.gz DUFNVTRJFMCUFE-UHFFFAOYSA-N -2 3 299.290 1.226 20 0 CDADHL Cc1cccc([O-])c1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000706602741 954953164 /nfs/dbraw/zinc/95/31/64/954953164.db2.gz WMMRGOQJHPNQAK-JTQLQIEISA-N -2 3 263.293 1.637 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@@H]2C=CCCC2)oc1C(=O)[O-] ZINC001327958416 955132946 /nfs/dbraw/zinc/13/29/46/955132946.db2.gz UOXMTPGYPAAIES-SECBINFHSA-N -2 3 285.321 1.673 20 0 CDADHL O=C([O-])c1cncc(NC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC001594707266 956846299 /nfs/dbraw/zinc/84/62/99/956846299.db2.gz AWQSFLXSKDUNBV-UHFFFAOYSA-N -2 3 290.250 1.806 20 0 CDADHL O=C([O-])C1(NC(=O)c2cccc3n[n-]nc32)CCCC1 ZINC001605734818 972370422 /nfs/dbraw/zinc/37/04/22/972370422.db2.gz BDECXAJVSMMVAP-UHFFFAOYSA-N -2 3 274.280 1.085 20 0 CDADHL C[C@H](C(=O)[O-])C(=O)Nc1cc(C(=O)OC(C)(C)C)n[n-]1 ZINC001588575684 959223973 /nfs/dbraw/zinc/22/39/73/959223973.db2.gz IMCCKUPYICGTEX-LURJTMIESA-N -2 3 283.284 1.024 20 0 CDADHL C[C@H](C(=O)[O-])C(=O)Nc1cc(C(=O)OC(C)(C)C)[n-]n1 ZINC001588575684 959223984 /nfs/dbraw/zinc/22/39/84/959223984.db2.gz IMCCKUPYICGTEX-LURJTMIESA-N -2 3 283.284 1.024 20 0 CDADHL O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC001574332503 960893329 /nfs/dbraw/zinc/89/33/29/960893329.db2.gz QZNAAIGANXMIRS-APPZFPTMSA-N -2 3 293.275 1.104 20 0 CDADHL CCc1ccc(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001573954576 961664260 /nfs/dbraw/zinc/66/42/60/961664260.db2.gz OZHYLPSKORZHCP-MGCOHNPYSA-N -2 3 263.293 1.548 20 0 CDADHL O=C([O-])Cn1ccc(NC(=O)c2cc([O-])ccc2Cl)n1 ZINC001606348718 973784081 /nfs/dbraw/zinc/78/40/81/973784081.db2.gz IAXXQVIGPSUANZ-UHFFFAOYSA-N -2 3 295.682 1.579 20 0 CDADHL Cc1cccc([O-])c1C(=O)N[C@@H](CC(=O)[O-])C1CC1 ZINC000706610461 977357340 /nfs/dbraw/zinc/35/73/40/977357340.db2.gz QWASZSVZUKCILK-JTQLQIEISA-N -2 3 263.293 1.684 20 0 CDADHL COc1cccc([O-])c1C(=O)NC1CC(CC(=O)[O-])C1 ZINC000718059664 977937517 /nfs/dbraw/zinc/93/75/17/977937517.db2.gz WHUHNYWAIUMDNI-UHFFFAOYSA-N -2 3 279.292 1.384 20 0 CDADHL C[C@H](CC(=O)[O-])CC(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC001592396132 977958142 /nfs/dbraw/zinc/95/81/42/977958142.db2.gz SVMYNVDPVRVLBS-QMMMGPOBSA-N -2 3 289.295 1.306 20 0 CDADHL CC(C)([N-]C(=O)C(C)(F)F)c1nocc1C(=O)[O-] ZINC001592935063 979995092 /nfs/dbraw/zinc/99/50/92/979995092.db2.gz XSBLKYBEYQFSOO-UHFFFAOYSA-N -2 3 262.212 1.379 20 0 CDADHL CCCC[C@H](OC(=O)c1cc(F)cc2n[n-]nc21)C(=O)[O-] ZINC001595651722 982024905 /nfs/dbraw/zinc/02/49/05/982024905.db2.gz WKFSCCXSQJZDJZ-JTQLQIEISA-N -2 3 295.270 1.897 20 0 CDADHL CN(CCC(=O)[O-])c1cccc(C(F)F)c1-c1nnn[n-]1 ZINC001604737644 1163302532 /nfs/dbraw/zinc/30/25/32/1163302532.db2.gz HSCXQJBGJULDNJ-UHFFFAOYSA-N -2 3 297.265 1.715 20 0 CDADHL CN(CCC(=O)[O-])c1cccc(C(F)F)c1-c1nn[n-]n1 ZINC001604737644 1163302537 /nfs/dbraw/zinc/30/25/37/1163302537.db2.gz HSCXQJBGJULDNJ-UHFFFAOYSA-N -2 3 297.265 1.715 20 0 CDADHL CC(C)(C)[C@H](CC(=O)[O-])NC(=O)c1cccc2n[n-]nc21 ZINC001589704186 987808993 /nfs/dbraw/zinc/80/89/93/987808993.db2.gz DLADQHWHALQZFK-JTQLQIEISA-N -2 3 290.323 1.577 20 0 CDADHL CSc1ccc([O-])c(C(=O)NC/C=C(/C)C(=O)[O-])c1 ZINC001599820013 988496203 /nfs/dbraw/zinc/49/62/03/988496203.db2.gz NNLMJKCYFMJUEI-YVMONPNESA-N -2 3 281.333 1.875 20 0 CDADHL CC[C@H](CNC(=O)c1cc(OC)c([O-])c(OC)c1)C(=O)[O-] ZINC001605037497 1163426550 /nfs/dbraw/zinc/42/65/50/1163426550.db2.gz KIFAHFWYIOYLLV-MRVPVSSYSA-N -2 3 297.307 1.250 20 0 CDADHL Cc1ccnc(NCCCCCC(=O)[O-])c1-c1nnn[n-]1 ZINC001605958849 1163727384 /nfs/dbraw/zinc/72/73/84/1163727384.db2.gz LGFPDBUDOUXDQA-UHFFFAOYSA-N -2 3 290.327 1.627 20 0 CDADHL Cc1ccnc(NCCCCCC(=O)[O-])c1-c1nn[n-]n1 ZINC001605958849 1163727388 /nfs/dbraw/zinc/72/73/88/1163727388.db2.gz LGFPDBUDOUXDQA-UHFFFAOYSA-N -2 3 290.327 1.627 20 0 CDADHL Cc1n[nH]cc1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000534318586 282186212 /nfs/dbraw/zinc/18/62/12/282186212.db2.gz NBPPIDMIWRMBOZ-UHFFFAOYSA-N -2 3 271.273 1.364 20 0 CDADHL CS[C@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000572957396 362234701 /nfs/dbraw/zinc/23/47/01/362234701.db2.gz ADHGAOSFPYIUTQ-ZCFIWIBFSA-N -2 3 293.366 1.316 20 0 CDADHL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]CC(F)F ZINC000226478604 346519772 /nfs/dbraw/zinc/51/97/72/346519772.db2.gz OXIXVFRTZOQFEV-UHFFFAOYSA-N -2 3 285.293 1.298 20 0 CDADHL CCC[C@@H](C[N-]S(=O)(=O)c1cnc(C)s1)C(=O)[O-] ZINC000230095930 346546772 /nfs/dbraw/zinc/54/67/72/346546772.db2.gz BBUQNURDDDWAQL-QMMMGPOBSA-N -2 3 292.382 1.231 20 0 CDADHL CCCc1cc(=O)n(-c2cn[n-]c(=O)c2Cl)[n-]1 ZINC000614184615 348028105 /nfs/dbraw/zinc/02/81/05/348028105.db2.gz FYBFDZHZXCBJQK-UHFFFAOYSA-N -2 3 254.677 1.728 20 0 CDADHL C=CCC[C@@H](NC(=O)c1ccc(OC)cc1[O-])C(=O)[O-] ZINC000316160308 351106079 /nfs/dbraw/zinc/10/60/79/351106079.db2.gz VBRLZSZAMRKTNY-LLVKDONJSA-N -2 3 279.292 1.550 20 0 CDADHL O=C(Cc1ccc([O-])c(F)c1)Nc1ncccc1[O-] ZINC000622505011 351198325 /nfs/dbraw/zinc/19/83/25/351198325.db2.gz KFWFLLWTHFTFSY-UHFFFAOYSA-N -2 3 262.240 1.813 20 0 CDADHL CC(=O)c1ccc(C(=O)N(C)[C@@H](C)C(=O)[O-])cc1[O-] ZINC000569810007 363105934 /nfs/dbraw/zinc/10/59/34/363105934.db2.gz DXQPFUSYOSRULK-ZETCQYMHSA-N -2 3 265.265 1.140 20 0 CDADHL Cc1ccc(C(=O)N(C)C[C@H](C)c2nnn[n-]2)c([O-])c1C ZINC000095322688 358681997 /nfs/dbraw/zinc/68/19/97/358681997.db2.gz TUXJSXVPONPAQP-VIFPVBQESA-N -2 3 289.339 1.398 20 0 CDADHL Cc1ccc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)c([O-])c1C ZINC000095322688 358681998 /nfs/dbraw/zinc/68/19/98/358681998.db2.gz TUXJSXVPONPAQP-VIFPVBQESA-N -2 3 289.339 1.398 20 0 CDADHL COc1ccc([O-])c(C(=O)N2CCC[C@@](C)(C(=O)[O-])C2)c1 ZINC000062868773 360015630 /nfs/dbraw/zinc/01/56/30/360015630.db2.gz KTHSEUIBHIJCEP-OAHLLOKOSA-N -2 3 293.319 1.728 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]C[C@H](CC(C)C)C(=O)[O-])o1 ZINC000424393067 360036446 /nfs/dbraw/zinc/03/64/46/360036446.db2.gz QRNMREWZBXGECZ-JTQLQIEISA-N -2 3 289.353 1.613 20 0 CDADHL CCCC[C@H]([N-]S(=O)(=O)c1cnc(C)s1)C(=O)[O-] ZINC000230093005 360239646 /nfs/dbraw/zinc/23/96/46/360239646.db2.gz VAUPEUVVOSLLHR-QMMMGPOBSA-N -2 3 292.382 1.373 20 0 CDADHL O=C([O-])[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccco1 ZINC000576943709 317235627 /nfs/dbraw/zinc/23/56/27/317235627.db2.gz HWMIERBIEZXEAF-BDAKNGLRSA-N -2 3 273.310 1.201 20 0 CDADHL COc1ccc([O-])c(C(=O)N(CC(=O)[O-])C2CCCC2)c1 ZINC000037586391 369192987 /nfs/dbraw/zinc/19/29/87/369192987.db2.gz GAMKQKMWJXLOQY-UHFFFAOYSA-N -2 3 293.319 1.870 20 0 CDADHL C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000564922858 370298421 /nfs/dbraw/zinc/29/84/21/370298421.db2.gz HLYBHNOQAHPMOQ-SCZZXKLOSA-N -2 3 287.337 1.835 20 0 CDADHL O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc([O-])cc1F ZINC000378482135 371979919 /nfs/dbraw/zinc/97/99/19/371979919.db2.gz LJCUHVAZFIXCMN-UHFFFAOYSA-N -2 3 299.265 1.964 20 0 CDADHL O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc([O-])cc1F ZINC000378482135 371979925 /nfs/dbraw/zinc/97/99/25/371979925.db2.gz LJCUHVAZFIXCMN-UHFFFAOYSA-N -2 3 299.265 1.964 20 0 CDADHL CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000084147147 373663453 /nfs/dbraw/zinc/66/34/53/373663453.db2.gz QLIHFGOOLVGUAT-UHFFFAOYSA-N -2 3 293.291 1.496 20 0 CDADHL COc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])c([O-])c1 ZINC000070522726 374665947 /nfs/dbraw/zinc/66/59/47/374665947.db2.gz JLQYTQZAAOVOQS-GXSJLCMTSA-N -2 3 279.292 1.384 20 0 CDADHL Cc1nc(C)c(CC(=O)NC(C)(C)CCC(=O)[O-])c(=O)[n-]1 ZINC000427974294 247221454 /nfs/dbraw/zinc/22/14/54/247221454.db2.gz QUOQQSBHGGNAFQ-UHFFFAOYSA-N -2 3 295.339 1.101 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)c(F)c1 ZINC000261616853 190041540 /nfs/dbraw/zinc/04/15/40/190041540.db2.gz BBOFDMXFAXIADE-LLVKDONJSA-N -2 3 289.328 1.522 20 0 CDADHL O=C([O-])[C@@H](CF)[N-]C(=O)C(F)(F)c1ccccc1 ZINC000262950672 190065543 /nfs/dbraw/zinc/06/55/43/190065543.db2.gz MUHSRJNFMUUERE-MRVPVSSYSA-N -2 3 261.199 1.317 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CCSC[C@H]2CC(=O)[O-])n1 ZINC000572127236 377724513 /nfs/dbraw/zinc/72/45/13/377724513.db2.gz AEPXGSFQAFUCIZ-SNVBAGLBSA-N -2 3 297.380 1.137 20 0 CDADHL COc1cc(CC(=O)N=c2ccc([O-])n[n-]2)ccc1C ZINC000361958800 159024578 /nfs/dbraw/zinc/02/45/78/159024578.db2.gz UHDNVKDCWJWIFO-UHFFFAOYSA-N -2 3 273.292 1.102 20 0 CDADHL C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000020593345 171263178 /nfs/dbraw/zinc/26/31/78/171263178.db2.gz OBMZJGACPHQAAV-RKDXNWHRSA-N -2 3 287.337 1.835 20 0 CDADHL COc1cccc(C(=O)N(C)CCCC(=O)[O-])c1[O-] ZINC000037330095 173130923 /nfs/dbraw/zinc/13/09/23/173130923.db2.gz CTUXVZKUMIFTBF-UHFFFAOYSA-N -2 3 267.281 1.338 20 0 CDADHL C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000037413170 173189775 /nfs/dbraw/zinc/18/97/75/173189775.db2.gz YFQIKMIQQQULKZ-LURJTMIESA-N -2 3 295.719 1.621 20 0 CDADHL O=C([O-])CCCCCNC(=O)c1ccc2n[n-]nc2c1 ZINC000037430284 173200746 /nfs/dbraw/zinc/20/07/46/173200746.db2.gz LPXPIAPLVFMOJK-UHFFFAOYSA-N -2 3 276.296 1.333 20 0 CDADHL CC(C)[C@@H](CNc1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001589456712 1173147458 /nfs/dbraw/zinc/14/74/58/1173147458.db2.gz LFNQNJLVTOGAPD-SNVBAGLBSA-N -2 3 293.302 1.775 20 0 CDADHL CC(C)[C@@H](CNc1ccc(F)cc1-c1nn[n-]n1)C(=O)[O-] ZINC001589456712 1173147464 /nfs/dbraw/zinc/14/74/64/1173147464.db2.gz LFNQNJLVTOGAPD-SNVBAGLBSA-N -2 3 293.302 1.775 20 0 CDADHL Cc1cccc(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)c1F ZINC000282888352 302015239 /nfs/dbraw/zinc/01/52/39/302015239.db2.gz QIDQECCVTDNIQU-UHFFFAOYSA-N -2 3 287.312 1.420 20 0 CDADHL C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000576224282 317098672 /nfs/dbraw/zinc/09/86/72/317098672.db2.gz IMDAUOITXJQQEA-WCBMZHEXSA-N -2 3 287.337 1.835 20 0 CDADHL Cc1cc(=O)[n-]c([C@H](C)N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)n1 ZINC000583446067 325177429 /nfs/dbraw/zinc/17/74/29/325177429.db2.gz MYORTYPUVRIFPJ-IPURGOFSSA-N -2 3 279.340 1.594 20 0 CDADHL COc1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc1O ZINC000670369847 482845044 /nfs/dbraw/zinc/84/50/44/482845044.db2.gz GCKNUXFBQWFMKN-HWKANZROSA-N -2 3 288.259 1.765 20 0 CDADHL CCCCC[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134665781 483262411 /nfs/dbraw/zinc/26/24/11/483262411.db2.gz WODQDABUSBFLCA-UHFFFAOYSA-N -2 3 278.355 1.310 20 0 CDADHL COc1ccc([O-])c(C(=O)NC[C@H](C)CC(=O)[O-])c1 ZINC000211769070 536821611 /nfs/dbraw/zinc/82/16/11/536821611.db2.gz VBIYRJKOENWRQQ-MRVPVSSYSA-N -2 3 267.281 1.241 20 0 CDADHL O=C([O-])CCc1ccc(NC(=O)c2cn[n-]n2)cc1 ZINC000134672483 599770441 /nfs/dbraw/zinc/77/04/41/599770441.db2.gz SSDHBWBRFFDFDO-UHFFFAOYSA-N -2 3 260.253 1.074 20 0 CDADHL C[C@@H](C(=O)[O-])N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000054069961 597473604 /nfs/dbraw/zinc/47/36/04/597473604.db2.gz BWIIEAIVRSZBFO-LURJTMIESA-N -2 3 267.310 1.302 20 0 CDADHL O=C([O-])c1ccc(CNC(=O)c2c([O-])cccc2O)cc1 ZINC000232428678 598153359 /nfs/dbraw/zinc/15/33/59/598153359.db2.gz WHHMIRIKRHFJDO-UHFFFAOYSA-N -2 3 287.271 1.726 20 0 CDADHL O=C([O-])CCc1ccc(NC(=O)c2c[n-]nn2)cc1 ZINC000134672483 599770440 /nfs/dbraw/zinc/77/04/40/599770440.db2.gz SSDHBWBRFFDFDO-UHFFFAOYSA-N -2 3 260.253 1.074 20 0 CDADHL Cc1ccc(C(=O)Nc2cc(C(=O)[O-])n(C)c2)c([O-])c1 ZINC000832913753 601760963 /nfs/dbraw/zinc/76/09/63/601760963.db2.gz XPDAULOQKBFVEU-UHFFFAOYSA-N -2 3 274.276 1.990 20 0 CDADHL CC(C)(C)[C@H](NC(=O)c1cccc2n[n-]nc21)C(=O)[O-] ZINC000833424804 605778952 /nfs/dbraw/zinc/77/89/52/605778952.db2.gz XERCCXYNPHVKBZ-SNVBAGLBSA-N -2 3 276.296 1.187 20 0 CDADHL O=C([O-])c1cc(C=Cc2cccc(-c3nnn[n-]3)c2)ncn1 ZINC000826461666 607813101 /nfs/dbraw/zinc/81/31/01/607813101.db2.gz CSHREPCOLKTCHD-PLNGDYQASA-N -2 3 294.274 1.525 20 0 CDADHL O=C([O-])c1cc(C=Cc2cccc(-c3nn[n-]n3)c2)ncn1 ZINC000826461666 607813102 /nfs/dbraw/zinc/81/31/02/607813102.db2.gz CSHREPCOLKTCHD-PLNGDYQASA-N -2 3 294.274 1.525 20 0 CDADHL O=C([O-])c1nscc1S(=O)(=O)[N-]C[C@H]1C=CCC1 ZINC000902987198 625730509 /nfs/dbraw/zinc/73/05/09/625730509.db2.gz FGBUOBQIFQRHMA-ZETCQYMHSA-N -2 3 288.350 1.086 20 0 CDADHL O=C([O-])CC1CCN(C(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000908681558 628327339 /nfs/dbraw/zinc/32/73/39/628327339.db2.gz SIRXAKXOLLPZTK-UHFFFAOYSA-N -2 3 295.310 1.787 20 0 CDADHL O=C([O-])[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)C1CC1 ZINC000909042685 628478480 /nfs/dbraw/zinc/47/84/80/628478480.db2.gz WNNFRPXLLXHJLJ-AWEZNQCLSA-N -2 3 295.310 1.833 20 0 CDADHL CC[C@H](NC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909123307 628523415 /nfs/dbraw/zinc/52/34/15/628523415.db2.gz QQJURPYURKBODY-VIFPVBQESA-N -2 3 255.245 1.053 20 0 CDADHL O=C([O-])CSCCC(=O)NCc1ccc([O-])c(F)c1 ZINC000909922949 628776423 /nfs/dbraw/zinc/77/64/23/628776423.db2.gz LKSVCBAJLYNOJG-UHFFFAOYSA-N -2 3 287.312 1.355 20 0 CDADHL O=C([O-])C12CCC(C(=O)[N-]OCc3cccnc3)(CC1)C2 ZINC000911804556 629534907 /nfs/dbraw/zinc/53/49/07/629534907.db2.gz DYSMEEPJUKAHCD-UHFFFAOYSA-N -2 3 290.319 1.665 20 0 CDADHL O=C([O-])[C@@H](NC(=O)c1ccccc1[O-])c1cccnc1 ZINC001608387427 1164503299 /nfs/dbraw/zinc/50/32/99/1164503299.db2.gz JGPAGIQWRHWTGC-LBPRGKRZSA-N -2 3 272.260 1.343 20 0 CDADHL O=C([O-])c1cc(C(=O)Nc2cc(Cl)ccc2[O-])no1 ZINC001608501331 1164529133 /nfs/dbraw/zinc/52/91/33/1164529133.db2.gz FMVLFCFDTBDAOK-UHFFFAOYSA-N -2 3 282.639 1.984 20 0 CDADHL O=C([O-])COc1ccccc1CN[C@@H]1C=C[C@H](C(=O)[O-])C1 ZINC001608765637 1164631327 /nfs/dbraw/zinc/63/13/27/1164631327.db2.gz NRVLJOFDXCBBLN-CMPLNLGQSA-N -2 3 291.303 1.269 20 0 CDADHL Cc1nc(NCCCCCC(=O)[O-])ccc1-c1nn[n-]n1 ZINC001609453675 1164955343 /nfs/dbraw/zinc/95/53/43/1164955343.db2.gz OPJDONPYOIHHSR-UHFFFAOYSA-N -2 3 290.327 1.627 20 0 CDADHL C[C@@H](C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1)n1cccc1 ZINC001589003238 1173118233 /nfs/dbraw/zinc/11/82/33/1173118233.db2.gz VBAASUNQYGUSRC-JTQLQIEISA-N -2 3 298.306 1.339 20 0 CDADHL C[C@@H](C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1)n1cccc1 ZINC001589003238 1173118241 /nfs/dbraw/zinc/11/82/41/1173118241.db2.gz VBAASUNQYGUSRC-JTQLQIEISA-N -2 3 298.306 1.339 20 0 CDADHL CC(C)[C@@H](CNc1ccc(-c2nnn[n-]2)cn1)C(=O)[O-] ZINC001589457284 1173147164 /nfs/dbraw/zinc/14/71/64/1173147164.db2.gz REQPBSCHLUUEBK-SECBINFHSA-N -2 3 276.300 1.030 20 0 CDADHL CC(C)[C@@H](CNc1ccc(-c2nn[n-]n2)cn1)C(=O)[O-] ZINC001589457284 1173147170 /nfs/dbraw/zinc/14/71/70/1173147170.db2.gz REQPBSCHLUUEBK-SECBINFHSA-N -2 3 276.300 1.030 20 0 CDADHL CCCCCn1[n-]c(-c2cccc(-c3nn[n-]n3)c2)cc1=O ZINC001590598021 1173472709 /nfs/dbraw/zinc/47/27/09/1173472709.db2.gz IAJFYRGGGRCZLX-UHFFFAOYSA-N -2 3 298.350 1.993 20 0 CDADHL O=C([O-])CCNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000095141805 1174497439 /nfs/dbraw/zinc/49/74/39/1174497439.db2.gz WGUWRLFQILGGQW-UHFFFAOYSA-N -2 3 267.676 1.407 20 0 CDADHL O=C([O-])CCNc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000095141805 1174497441 /nfs/dbraw/zinc/49/74/41/1174497441.db2.gz WGUWRLFQILGGQW-UHFFFAOYSA-N -2 3 267.676 1.407 20 0 CDADHL Cc1nc(C)c(CC(=O)OCC2(C(=O)[O-])CCC2)c(=O)[n-]1 ZINC001600691941 1174565997 /nfs/dbraw/zinc/56/59/97/1174565997.db2.gz WWRXDHJBKRAFAF-UHFFFAOYSA-N -2 3 294.307 1.140 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]Cc2ccncc2)cc1C(=O)[O-] ZINC001600855958 1174645218 /nfs/dbraw/zinc/64/52/18/1174645218.db2.gz KMTAMMYKTRARBH-UHFFFAOYSA-N -2 3 296.304 1.160 20 0 CDADHL O=C([O-])[C@@H]1C[C@@H]1CNC(=O)NCc1ccc([O-])c(F)c1 ZINC001601540007 1174895133 /nfs/dbraw/zinc/89/51/33/1174895133.db2.gz NIPSEPDZGZWBMY-RKDXNWHRSA-N -2 3 282.271 1.051 20 0 CDADHL O=C([O-])CC1(NC(=O)c2cccc3n[n-]nc32)CCCC1 ZINC001601931589 1175071250 /nfs/dbraw/zinc/07/12/50/1175071250.db2.gz BOOALRUJAWMBRM-UHFFFAOYSA-N -2 3 288.307 1.475 20 0 CDADHL O=C([O-])CCc1nnc([N-]C(=O)c2cccnc2F)s1 ZINC001602048974 1175118033 /nfs/dbraw/zinc/11/80/33/1175118033.db2.gz OQDILJWOWMBARX-UHFFFAOYSA-N -2 3 296.283 1.342 20 0 CDADHL O=C([O-])[C@@H](F)C[N-]C(=O)C(F)(F)c1ccccc1F ZINC001602169793 1175149532 /nfs/dbraw/zinc/14/95/32/1175149532.db2.gz QTXHHHLRWZKTMH-QMMMGPOBSA-N -2 3 279.189 1.456 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C12CCC(CC1)C2 ZINC001602488398 1175260739 /nfs/dbraw/zinc/26/07/39/1175260739.db2.gz GQFZZFMBLRBFKW-UHFFFAOYSA-N -2 3 285.321 1.589 20 0 CDADHL CSc1ccc([O-])c(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1 ZINC001607409508 1164170669 /nfs/dbraw/zinc/17/06/69/1164170669.db2.gz CLAAWVMTVDFIDN-IAZYJMLFSA-N -2 3 293.344 1.517 20 0 CDADHL O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)[N-]OCC1CCC1 ZINC001608314108 1164488328 /nfs/dbraw/zinc/48/83/28/1164488328.db2.gz KOZUZWQNHNJHCS-WDEREUQCSA-N -2 3 271.313 1.104 20 0 CDADHL O=C([O-])CCCCN1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001608712738 1164615346 /nfs/dbraw/zinc/61/53/46/1164615346.db2.gz NJJCMCOSUZJQQV-UHFFFAOYSA-N -2 3 277.324 1.630 20 0 CDADHL CCC(=O)[N-][N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000007409833 730703898 /nfs/dbraw/zinc/70/38/98/730703898.db2.gz AEXRFQBFEYQOGA-UHFFFAOYSA-N -2 3 262.718 1.060 20 0 CDADHL CCC(CC)(CNC(=O)c1ccc(N)cc1[O-])C(=O)[O-] ZINC000849366380 731577452 /nfs/dbraw/zinc/57/74/52/731577452.db2.gz VSUOGSBTKMSVIU-UHFFFAOYSA-N -2 3 280.324 1.595 20 0 CDADHL COc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)c([O-])c1 ZINC000092917271 732955638 /nfs/dbraw/zinc/95/56/38/732955638.db2.gz XJKIMXOJLPEAAA-WPRPVWTQSA-N -2 3 279.292 1.336 20 0 CDADHL CCOC(=O)c1cc(NC(=O)c2ccc(C(=O)[O-])o2)[n-]n1 ZINC001610022602 1165187670 /nfs/dbraw/zinc/18/76/70/1165187670.db2.gz YTCKJBGKGPAPGL-UHFFFAOYSA-N -2 3 293.235 1.130 20 0 CDADHL CCOC(=O)c1cc(NC(=O)c2ccc(C(=O)[O-])o2)n[n-]1 ZINC001610022602 1165187672 /nfs/dbraw/zinc/18/76/72/1165187672.db2.gz YTCKJBGKGPAPGL-UHFFFAOYSA-N -2 3 293.235 1.130 20 0 CDADHL COCCCO[N-]C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC001610256877 1165276149 /nfs/dbraw/zinc/27/61/49/1165276149.db2.gz IRYNMJDSVIMFSS-UHFFFAOYSA-N -2 3 271.313 1.106 20 0 CDADHL COc1cc(C(=O)[O-])ccc1Nc1cnc(C)[n-]c1=O ZINC001174674933 913282776 /nfs/dbraw/zinc/28/27/76/913282776.db2.gz QTUOEOKVXXTQAF-UHFFFAOYSA-N -2 3 275.264 1.941 20 0 CDADHL O=C([O-])Cn1cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cn1 ZINC001176266296 914039826 /nfs/dbraw/zinc/03/98/26/914039826.db2.gz GJOBOIDSQFYGGG-UHFFFAOYSA-N -2 3 299.290 1.603 20 0 CDADHL O=Nc1c(=O)[n-]c(=O)[nH]c1Nc1ccc(C(=O)[O-])cc1 ZINC001176709380 914244857 /nfs/dbraw/zinc/24/48/57/914244857.db2.gz KZHIMEBNCQWZQT-UHFFFAOYSA-N -2 3 276.208 1.728 20 0 CDADHL CCOCCS(=O)(=O)[N-]c1c([O-])cccc1Cl ZINC001187283715 920450024 /nfs/dbraw/zinc/45/00/24/920450024.db2.gz PBJBLHDBOQOTCY-UHFFFAOYSA-N -2 3 279.745 1.824 20 0 CDADHL O=C(NCc1ncccc1[O-])c1cc(F)c([O-])cc1F ZINC001192877871 923286318 /nfs/dbraw/zinc/28/63/18/923286318.db2.gz WFEPJHVJNBJDDM-UHFFFAOYSA-N -2 3 280.230 1.701 20 0 CDADHL O=C(Nc1cc(Br)ccc1[O-])c1cc(=O)[nH][n-]1 ZINC001193468021 923701975 /nfs/dbraw/zinc/70/19/75/923701975.db2.gz CMIZHIFVSAALRQ-UHFFFAOYSA-N -2 3 298.096 1.836 20 0 CDADHL Cc1ccc(NC(=S)NCCP(=O)([O-])[O-])cc1 ZINC001197941465 925277515 /nfs/dbraw/zinc/27/75/15/925277515.db2.gz NFYPOVJBVJUJBM-UHFFFAOYSA-N -2 3 274.282 1.459 20 0 CDADHL C=CS(=O)(=O)[N-]c1ccc(C(=O)OC)cc1[O-] ZINC001198609256 925476563 /nfs/dbraw/zinc/47/65/63/925476563.db2.gz VHTDURPNTBVUCN-UHFFFAOYSA-N -2 3 257.267 1.064 20 0 CDADHL O=P([O-])([O-])CCO[C@H]1COCc2ccccc21 ZINC001224605381 941775524 /nfs/dbraw/zinc/77/55/24/941775524.db2.gz IIFJGJQNHKHYSR-NSHDSACASA-N -2 3 258.210 1.452 20 0 CDADHL COC1=CC[C@H](Oc2[n-]c(=O)nc3cn[n-]c32)CC1 ZINC001233945124 943696621 /nfs/dbraw/zinc/69/66/21/943696621.db2.gz QSVPZIZNYLIRCX-QMMMGPOBSA-N -2 3 262.269 1.108 20 0 CDADHL O=S(=O)(CCc1ccccc1F)[N-]c1ncccc1[O-] ZINC001259780280 945627916 /nfs/dbraw/zinc/62/79/16/945627916.db2.gz SVMKALRAZYDJAR-UHFFFAOYSA-N -2 3 296.323 1.911 20 0 CDADHL CC(=O)c1cccc([N-]S(=O)(=O)C(F)F)c1[O-] ZINC001259958220 945748113 /nfs/dbraw/zinc/74/81/13/945748113.db2.gz ZOYXJYJDEREZMT-UHFFFAOYSA-N -2 3 265.237 1.559 20 0 CDADHL O=C([O-])c1cncc(-c2cncc(-c3nnn[n-]3)c2)c1 ZINC001241804442 946479062 /nfs/dbraw/zinc/47/90/62/946479062.db2.gz USNLCYIOLSBELW-UHFFFAOYSA-N -2 3 268.236 1.022 20 0 CDADHL O=C([O-])c1cncc(-c2cncc(-c3nn[n-]n3)c2)c1 ZINC001241804442 946479071 /nfs/dbraw/zinc/47/90/71/946479071.db2.gz USNLCYIOLSBELW-UHFFFAOYSA-N -2 3 268.236 1.022 20 0 CDADHL O=C([O-])c1ccccc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC001594784679 953656398 /nfs/dbraw/zinc/65/63/98/953656398.db2.gz AZDJCBXFYTXJFZ-NSHDSACASA-N -2 3 280.280 1.965 20 0 CDADHL C[C@H](SCc1cc(=O)[n-]c(C2CC2)n1)C(=O)[O-] ZINC001589168960 956450614 /nfs/dbraw/zinc/45/06/14/956450614.db2.gz FAFNTOXLABQNIF-LURJTMIESA-N -2 3 254.311 1.766 20 0 CDADHL O=C(/C=C/c1ccc(C(=O)[O-])o1)[N-]OCc1ccccn1 ZINC001594672537 956626628 /nfs/dbraw/zinc/62/66/28/956626628.db2.gz MSAJUXGMRGQALK-FNORWQNLSA-N -2 3 288.259 1.634 20 0 CDADHL CCC[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C(=O)[O-] ZINC000036836779 957239512 /nfs/dbraw/zinc/23/95/12/957239512.db2.gz YQBRICARJSVRPM-NSHDSACASA-N -2 3 288.303 1.511 20 0 CDADHL O=C([O-])CC1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000110302011 958390845 /nfs/dbraw/zinc/39/08/45/958390845.db2.gz QIMPVDROUYCJTE-UHFFFAOYSA-N -2 3 263.293 1.719 20 0 CDADHL C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@H](C(=O)[O-])C1 ZINC000125522755 958566768 /nfs/dbraw/zinc/56/67/68/958566768.db2.gz OTDIKGPPULBHND-SCZZXKLOSA-N -2 3 279.292 1.423 20 0 CDADHL CC(C)[C@@H](CNC(=O)c1cc(=O)[n-]c(C2CC2)n1)C(=O)[O-] ZINC001588829561 961685951 /nfs/dbraw/zinc/68/59/51/961685951.db2.gz JJMBPHPLIAULGO-SECBINFHSA-N -2 3 293.323 1.146 20 0 CDADHL CC(C)SCC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694160164 976673005 /nfs/dbraw/zinc/67/30/05/976673005.db2.gz ROAVKBVIXIYKNF-UHFFFAOYSA-N -2 3 293.366 1.398 20 0 CDADHL CC(C)[C@@]1(C)C[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694210059 976682443 /nfs/dbraw/zinc/68/24/43/976682443.db2.gz NAZBQVBDNPXGQM-BXKDBHETSA-N -2 3 287.337 1.691 20 0 CDADHL CC(C)[C@]1(C)C[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694210061 976682493 /nfs/dbraw/zinc/68/24/93/976682493.db2.gz NAZBQVBDNPXGQM-CABZTGNLSA-N -2 3 287.337 1.691 20 0 CDADHL C[C@H](/C=C/C(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001592213166 977272393 /nfs/dbraw/zinc/27/23/93/977272393.db2.gz WLUHWACMCXAXGR-QMVXTRQFSA-N -2 3 295.769 1.709 20 0 CDADHL C[C@@H](CC(=O)[O-])C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001592346385 977818394 /nfs/dbraw/zinc/81/83/94/977818394.db2.gz WPEZLGXAVVUKSV-WHFBIAKZSA-N -2 3 294.233 1.112 20 0 CDADHL CCC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC001596008175 983264867 /nfs/dbraw/zinc/26/48/67/983264867.db2.gz PWVXJDYHIYFZPM-PSASIEDQSA-N -2 3 287.337 1.753 20 0 CDADHL CC[C@H](C(=O)[O-])C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC001604879654 1163364515 /nfs/dbraw/zinc/36/45/15/1163364515.db2.gz ZUGRIRTVWIOHAC-QMMMGPOBSA-N -2 3 265.265 1.644 20 0 CDADHL O=C([O-])c1nccc(NCc2ccc([O-])c(F)c2)n1 ZINC001574423468 1170980056 /nfs/dbraw/zinc/98/00/56/1170980056.db2.gz RKZDHPXZIJXBLV-UHFFFAOYSA-N -2 3 263.228 1.054 20 0 CDADHL C/C=C\C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000629343594 361847689 /nfs/dbraw/zinc/84/76/89/361847689.db2.gz YKDXKKKKKGBXAL-ARJAWSKDSA-N -2 3 291.350 1.309 20 0 CDADHL CCC[C@H]([N-]C(=O)C(F)(F)c1ccccc1)c1nn[n-]n1 ZINC000136715587 361858969 /nfs/dbraw/zinc/85/89/69/361858969.db2.gz OBHUCZTVTSWTLS-JTQLQIEISA-N -2 3 295.293 1.949 20 0 CDADHL O=C(c1ccccc1[O-])N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000332342433 362475766 /nfs/dbraw/zinc/47/57/66/362475766.db2.gz RABRKYSCILUURO-VIFPVBQESA-N -2 3 289.291 1.501 20 0 CDADHL Cc1ccc(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)c([O-])c1 ZINC000111251446 186378473 /nfs/dbraw/zinc/37/84/73/186378473.db2.gz KCGMWFDYXAEVJR-MWLCHTKSSA-N -2 3 263.293 1.493 20 0 CDADHL CSc1ccc([O-])c(C(=O)N(C)Cc2n[n-]c(=O)o2)c1 ZINC000622119207 351017355 /nfs/dbraw/zinc/01/73/55/351017355.db2.gz ZXEGGKBXSIPDDB-UHFFFAOYSA-N -2 3 295.320 1.475 20 0 CDADHL O=C(Nc1ccccc1[O-])c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000622322238 351125885 /nfs/dbraw/zinc/12/58/85/351125885.db2.gz GMXDQCZRDKXPJJ-UHFFFAOYSA-N -2 3 297.270 1.988 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC23CC3)o1 ZINC000634654189 356644137 /nfs/dbraw/zinc/64/41/37/356644137.db2.gz ZUAWOGQGFXTXHY-SECBINFHSA-N -2 3 285.321 1.589 20 0 CDADHL Cc1ccc(C(=O)N(C)C[C@@H](C)C(=O)[O-])c([O-])c1 ZINC000042694975 357075564 /nfs/dbraw/zinc/07/55/64/357075564.db2.gz IPXIQHGJZFMRBB-SECBINFHSA-N -2 3 251.282 1.493 20 0 CDADHL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000070311917 357719684 /nfs/dbraw/zinc/71/96/84/357719684.db2.gz SCKPHGGZJZIKGM-SSDOTTSWSA-N -2 3 293.291 1.496 20 0 CDADHL CCC[C@H](NC(=O)c1c([O-])cccc1F)c1nnn[n-]1 ZINC000187776909 357805490 /nfs/dbraw/zinc/80/54/90/357805490.db2.gz DWHLFKMSCXSOQU-QMMMGPOBSA-N -2 3 279.275 1.316 20 0 CDADHL CCC[C@H](NC(=O)c1c([O-])cccc1F)c1nn[n-]n1 ZINC000187776909 357805492 /nfs/dbraw/zinc/80/54/92/357805492.db2.gz DWHLFKMSCXSOQU-QMMMGPOBSA-N -2 3 279.275 1.316 20 0 CDADHL CCC(CC)(C[N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000424367689 360022581 /nfs/dbraw/zinc/02/25/81/360022581.db2.gz NJJIXQHHSKAVKE-UHFFFAOYSA-N -2 3 275.326 1.449 20 0 CDADHL C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccccc1F ZINC000131829001 361154306 /nfs/dbraw/zinc/15/43/06/361154306.db2.gz UJLOMUNVLBAJCK-VIFPVBQESA-N -2 3 289.328 1.747 20 0 CDADHL O=C(N=c1cc[nH]c2ccncc21)c1ccc([O-])cc1[O-] ZINC000436627962 361543777 /nfs/dbraw/zinc/54/37/77/361543777.db2.gz WIIBUTLTSUVZQE-UHFFFAOYSA-N -2 3 281.271 1.715 20 0 CDADHL COc1ccc(C(=O)NC2(C(=O)[O-])CCCCC2)c([O-])c1 ZINC000019475392 361682767 /nfs/dbraw/zinc/68/27/67/361682767.db2.gz QHMOMBUKCKJPRN-UHFFFAOYSA-N -2 3 293.319 1.918 20 0 CDADHL COc1ccc(C(=O)N2CCC[C@@H]2CC(=O)[O-])c([O-])c1 ZINC000042144510 364530121 /nfs/dbraw/zinc/53/01/21/364530121.db2.gz WULLHFDVDWLFCM-SECBINFHSA-N -2 3 279.292 1.480 20 0 CDADHL COc1ccc(C(=O)N(CCC(=O)[O-])C2CC2)c([O-])c1 ZINC000037582539 369190825 /nfs/dbraw/zinc/19/08/25/369190825.db2.gz JOVQENYJKAVCFE-UHFFFAOYSA-N -2 3 279.292 1.480 20 0 CDADHL O=C([N-]OC[C@@H]1CCOC1)c1c(F)ccc([O-])c1F ZINC000290206074 369827586 /nfs/dbraw/zinc/82/75/86/369827586.db2.gz QABKYOMRZNQEPC-SSDOTTSWSA-N -2 3 273.235 1.368 20 0 CDADHL COC(=O)CCCO[N-]C(=O)c1c(F)ccc([O-])c1F ZINC000290692903 370008588 /nfs/dbraw/zinc/00/85/88/370008588.db2.gz PYKVGERUWIWVAA-UHFFFAOYSA-N -2 3 289.234 1.285 20 0 CDADHL O=S(=O)(C[C@@H]1CCCO1)[N-]c1cc(Cl)ccc1[O-] ZINC000063156129 378263925 /nfs/dbraw/zinc/26/39/25/378263925.db2.gz NSPHIXMAPVYYPX-VIFPVBQESA-N -2 3 291.756 1.966 20 0 CDADHL CO[C@@H](CS(=O)(=O)[N-]c1cccc([O-])c1F)C(C)C ZINC000647129280 390490516 /nfs/dbraw/zinc/49/05/16/390490516.db2.gz ODORJYNXZAMINK-NSHDSACASA-N -2 3 291.344 1.944 20 0 CDADHL CO[C@H](CS(=O)(=O)[N-]c1cc(F)ccc1[O-])C(C)C ZINC000647128213 390487390 /nfs/dbraw/zinc/48/73/90/390487390.db2.gz VAAPYQNRZMXGET-GFCCVEGCSA-N -2 3 291.344 1.944 20 0 CDADHL O=C([O-])CCCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000070198418 390603633 /nfs/dbraw/zinc/60/36/33/390603633.db2.gz ROXFMFYHRBRHDK-UHFFFAOYSA-N -2 3 297.785 1.935 20 0 CDADHL COC[C@@](C)([N-]C(=O)C(F)(F)c1ccccc1)C(=O)[O-] ZINC000262143045 131194121 /nfs/dbraw/zinc/19/41/21/131194121.db2.gz LBYPQOATILNXCP-GFCCVEGCSA-N -2 3 287.262 1.384 20 0 CDADHL COc1ccc(C(=O)Nc2c(C)[n-][nH]c2=O)c([O-])c1 ZINC000646409351 392417951 /nfs/dbraw/zinc/41/79/51/392417951.db2.gz GPJUXTMSLNZMBD-UHFFFAOYSA-N -2 3 263.253 1.390 20 0 CDADHL C[C@@H]1SCC[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000386580815 398076747 /nfs/dbraw/zinc/07/67/47/398076747.db2.gz ZSLIVDUZRCEDMW-NKWVEPMBSA-N -2 3 291.350 1.150 20 0 CDADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F)C1CC1 ZINC000035134832 172001564 /nfs/dbraw/zinc/00/15/64/172001564.db2.gz SDBDAWLOUZEFAD-SSDOTTSWSA-N -2 3 287.312 1.601 20 0 CDADHL Cc1ccc(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)c([O-])c1 ZINC000037366071 173155218 /nfs/dbraw/zinc/15/52/18/173155218.db2.gz RMHXORACRSRRAX-CQSZACIVSA-N -2 3 263.293 1.684 20 0 CDADHL O=C([O-])C1CCC(NC(=O)c2ccc3n[n-]nc3c2)CC1 ZINC000037561512 173271542 /nfs/dbraw/zinc/27/15/42/173271542.db2.gz JZFJPYIOQUIRPT-UHFFFAOYSA-N -2 3 288.307 1.331 20 0 CDADHL Cc1ccc([O-])c(C(=O)Nc2cnn(CC(=O)[O-])c2)c1 ZINC000038029729 174020724 /nfs/dbraw/zinc/02/07/24/174020724.db2.gz PQPVNIVQDLGMIO-UHFFFAOYSA-N -2 3 275.264 1.234 20 0 CDADHL CC(C)(CCNc1cccc(F)c1-c1nnn[n-]1)C(=O)[O-] ZINC001589276165 1173133103 /nfs/dbraw/zinc/13/31/03/1173133103.db2.gz UHTUFAGVUVXVKE-UHFFFAOYSA-N -2 3 293.302 1.919 20 0 CDADHL CC(C)(CCNc1cccc(F)c1-c1nn[n-]n1)C(=O)[O-] ZINC001589276165 1173133110 /nfs/dbraw/zinc/13/31/10/1173133110.db2.gz UHTUFAGVUVXVKE-UHFFFAOYSA-N -2 3 293.302 1.919 20 0 CDADHL CCN(C(=O)c1ccc(C(C)=O)c([O-])c1)[C@@H](C)C(=O)[O-] ZINC000659770314 424500166 /nfs/dbraw/zinc/50/01/66/424500166.db2.gz NJRJSIGNYMVZMK-QMMMGPOBSA-N -2 3 279.292 1.530 20 0 CDADHL CC(C)c1ccc(C(=O)N=c2ccc([O-])n[n-]2)nc1 ZINC000362173724 278030312 /nfs/dbraw/zinc/03/03/12/278030312.db2.gz YHKSWLJLOXTDNC-UHFFFAOYSA-N -2 3 258.281 1.375 20 0 CDADHL O=C(N=c1cc2ccccn2[n-]1)c1c([O-])cccc1F ZINC000557527196 290350300 /nfs/dbraw/zinc/35/03/00/290350300.db2.gz SKXVIBOUMJGUJA-UHFFFAOYSA-N -2 3 271.251 1.853 20 0 CDADHL N=c1[n-]nc(CCN=c2nc(C3CCCCC3)[n-]s2)o1 ZINC000557633266 290358790 /nfs/dbraw/zinc/35/87/90/290358790.db2.gz QGVDROIDZWJVGS-UHFFFAOYSA-N -2 3 294.384 1.458 20 0 CDADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@H]1C[C@H](C(=O)[O-])C1 ZINC000569232039 294179452 /nfs/dbraw/zinc/17/94/52/294179452.db2.gz GKHPNDHGUZAQQD-KYZUINATSA-N -2 3 287.312 1.276 20 0 CDADHL CS[C@H](C)C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001591686886 1173679824 /nfs/dbraw/zinc/67/98/24/1173679824.db2.gz MQVZLJQGFMUIEE-SSDOTTSWSA-N -2 3 279.325 1.028 20 0 CDADHL CS[C@H](C)C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001591686886 1173679830 /nfs/dbraw/zinc/67/98/30/1173679830.db2.gz MQVZLJQGFMUIEE-SSDOTTSWSA-N -2 3 279.325 1.028 20 0 CDADHL COCCOCCS(=O)(=O)[N-]c1cccc(C)c1[O-] ZINC000676103204 483414066 /nfs/dbraw/zinc/41/40/66/483414066.db2.gz WUJPYYJVJTYDDU-UHFFFAOYSA-N -2 3 289.353 1.105 20 0 CDADHL CCn1c(CCNC(=O)c2ncccc2[O-])n[n-]c1=S ZINC000067119173 523183479 /nfs/dbraw/zinc/18/34/79/523183479.db2.gz GFHZZLIRMKSVTN-UHFFFAOYSA-N -2 3 293.352 1.034 20 0 CDADHL Cc1sc(C(=O)[O-])cc1[N-]S(=O)(=O)CC1(F)CC1 ZINC001600872864 1174650351 /nfs/dbraw/zinc/65/03/51/1174650351.db2.gz TVCMEVVJBUOQCP-UHFFFAOYSA-N -2 3 293.341 1.999 20 0 CDADHL O=C([O-])c1ccc(/C=C/C(=O)[N-]OCC(F)F)o1 ZINC001601236877 1174804289 /nfs/dbraw/zinc/80/42/89/1174804289.db2.gz YNWLEKQGKRGWAF-DUXPYHPUSA-N -2 3 261.180 1.304 20 0 CDADHL O=C([O-])C(=O)CCCOC(=O)c1cc(-c2ccco2)[n-]n1 ZINC001601636316 1174919713 /nfs/dbraw/zinc/91/97/13/1174919713.db2.gz FKIBRBABVMCKKJ-UHFFFAOYSA-N -2 3 292.247 1.260 20 0 CDADHL Cc1cc(F)cc2c(=O)c(C(=O)N(C)CC(=O)[O-])c[n-]c12 ZINC000738229386 576051385 /nfs/dbraw/zinc/05/13/85/576051385.db2.gz LMEURBUHCWRHCL-UHFFFAOYSA-N -2 3 292.266 1.132 20 0 CDADHL Cc1oc(COC(=O)c2cncc([O-])c2)cc1C(=O)[O-] ZINC000738979543 576145220 /nfs/dbraw/zinc/14/52/20/576145220.db2.gz BQHYJMVDGWROPB-UHFFFAOYSA-N -2 3 277.232 1.744 20 0 CDADHL O=C([O-])CSCc1nc(-c2ccc([O-])cc2)no1 ZINC000740487927 576477891 /nfs/dbraw/zinc/47/78/91/576477891.db2.gz YHJZUMOSINCVOF-UHFFFAOYSA-N -2 3 266.278 1.760 20 0 CDADHL O=C([O-])c1cnc(C=Cc2cnc3ccccn23)[n-]c1=O ZINC000752888325 577132551 /nfs/dbraw/zinc/13/25/51/577132551.db2.gz YFWLUCSFSGZBPC-PLNGDYQASA-N -2 3 282.259 1.699 20 0 CDADHL O=C([O-])[C@H]1CC(F)(F)CN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC001602210726 1175167831 /nfs/dbraw/zinc/16/78/31/1175167831.db2.gz STGHCJCUNQDDMJ-SECBINFHSA-N -2 3 299.277 1.354 20 0 CDADHL O=C([O-])C[C@@H]1CCCN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000054293318 597669081 /nfs/dbraw/zinc/66/90/81/597669081.db2.gz YIFWZSYWFJZWIR-VIFPVBQESA-N -2 3 279.292 1.425 20 0 CDADHL COc1cccc(C(=O)Nc2cc(C(=O)[O-])ccn2)c1[O-] ZINC000079703505 600451877 /nfs/dbraw/zinc/45/18/77/600451877.db2.gz LWUMGOWNZGYJMW-UHFFFAOYSA-N -2 3 288.259 1.746 20 0 CDADHL O=C([O-])C[C@H]1CSCCN1C(=O)c1ccc(O)cc1[O-] ZINC000091128854 600670107 /nfs/dbraw/zinc/67/01/07/600670107.db2.gz QGDSYNDCXAWWBG-QMMMGPOBSA-N -2 3 297.332 1.130 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC(F)(F)C2)o1 ZINC000311980405 602008909 /nfs/dbraw/zinc/00/89/09/602008909.db2.gz CUMNTSLYBLVMPP-LURJTMIESA-N -2 3 295.263 1.444 20 0 CDADHL O=C([O-])c1csc([N-]S(=O)(=O)N2CCCC2)c1 ZINC000833343783 602118514 /nfs/dbraw/zinc/11/85/14/602118514.db2.gz OCJANEWZXUIKSF-UHFFFAOYSA-N -2 3 276.339 1.199 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCN(C(=O)[O-])C2)o1 ZINC000833751242 605009603 /nfs/dbraw/zinc/00/96/03/605009603.db2.gz FHFXIKQIBOHLHI-SECBINFHSA-N -2 3 288.325 1.009 20 0 CDADHL COc1cc(C(=O)N[C@H](C(=O)[O-])C(C)C)cc(OC)c1[O-] ZINC000820759081 605042767 /nfs/dbraw/zinc/04/27/67/605042767.db2.gz FKGPFNPTARCXCX-NSHDSACASA-N -2 3 297.307 1.248 20 0 CDADHL CC[C@@](C)(CC(=O)[O-])NC(=O)Cc1ccc([O-])c(F)c1 ZINC000909053320 628493245 /nfs/dbraw/zinc/49/32/45/628493245.db2.gz XVHHGBPNWHUMTF-AWEZNQCLSA-N -2 3 283.299 1.833 20 0 CDADHL O=C([O-])C[C@@]1(NC(=O)c2cc([O-])ccc2Cl)CCOC1 ZINC000909699608 628631254 /nfs/dbraw/zinc/63/12/54/628631254.db2.gz OKMUTZJJUHPHLB-ZDUSSCGKSA-N -2 3 299.710 1.409 20 0 CDADHL O=C(Nc1c[n-][nH]c1=O)c1ccc([O-])c(Cl)c1 ZINC001648814607 1158574058 /nfs/dbraw/zinc/57/40/58/1158574058.db2.gz VTENEEMYWVGWQE-UHFFFAOYSA-N -2 3 253.645 1.727 20 0 CDADHL O=C([O-])C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)C1CC1 ZINC001606961028 1164039847 /nfs/dbraw/zinc/03/98/47/1164039847.db2.gz ORXXFNPMNWXWAU-SECBINFHSA-N -2 3 288.311 1.175 20 0 CDADHL O=C([O-])C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)C1CC1 ZINC001606961028 1164039854 /nfs/dbraw/zinc/03/98/54/1164039854.db2.gz ORXXFNPMNWXWAU-SECBINFHSA-N -2 3 288.311 1.175 20 0 CDADHL Cc1ccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)o1 ZINC001607782148 1164292747 /nfs/dbraw/zinc/29/27/47/1164292747.db2.gz HHUFCRNCAHSHSZ-UHFFFAOYSA-N -2 3 299.304 1.666 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C1(C2CC2)CC1 ZINC001608956569 1164696009 /nfs/dbraw/zinc/69/60/09/1164696009.db2.gz YOLOWUPCKUATQC-UHFFFAOYSA-N -2 3 271.294 1.199 20 0 CDADHL O=C([O-])c1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)o1 ZINC001610824125 1165454533 /nfs/dbraw/zinc/45/45/33/1165454533.db2.gz ICACJYRZFBBYMK-RQOWECAXSA-N -3 3 276.204 1.342 20 0 CDADHL CCCc1cc(=O)n(Cc2ccc(-c3nn[n-]n3)cc2)[n-]1 ZINC001590567533 1173465218 /nfs/dbraw/zinc/46/52/18/1173465218.db2.gz OLXVNLJYEHTZOS-UHFFFAOYSA-N -2 3 284.323 1.755 20 0 CDADHL C[C@H](CC(=O)[O-])Sc1nc2c(cnn2C)c(=O)[n-]1 ZINC001604114533 1175769112 /nfs/dbraw/zinc/76/91/12/1175769112.db2.gz ARBLRVKOLKLVIQ-RXMQYKEDSA-N -2 3 268.298 1.024 20 0 CDADHL Cc1nc(NCCc2ncc(C(=O)[O-])s2)cc(=O)[n-]1 ZINC001607968047 1164356188 /nfs/dbraw/zinc/35/61/88/1164356188.db2.gz SVSGHIUIDMLESF-UHFFFAOYSA-N -2 3 280.309 1.300 20 0 CDADHL O=C([N-]OCC1CC1)c1n[n-]c2ccccc2c1=O ZINC000817339515 733552399 /nfs/dbraw/zinc/55/23/99/733552399.db2.gz MFYHJXOYLYKSTK-UHFFFAOYSA-N -2 3 259.265 1.407 20 0 CDADHL O=C([O-])[C@@H](NC(=O)c1cc([O-])ccc1Cl)C1CC1 ZINC000236442851 734825108 /nfs/dbraw/zinc/82/51/08/734825108.db2.gz GARIAQWKBXGQFB-JTQLQIEISA-N -2 3 269.684 1.639 20 0 CDADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2CCC2)c(F)cc1F ZINC000840897011 734916633 /nfs/dbraw/zinc/91/66/33/734916633.db2.gz NMDOHLXRWSBYNC-UHFFFAOYSA-N -2 3 291.275 1.494 20 0 CDADHL C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(N)cc1[O-] ZINC000844936643 734964971 /nfs/dbraw/zinc/96/49/71/734964971.db2.gz YHHLTFOUZKZVML-BDAKNGLRSA-N -2 3 278.308 1.300 20 0 CDADHL C[C@@H](C(=O)[O-])[C@H](C)NC(=O)c1nnc2ccccc2c1[O-] ZINC000823333662 735199643 /nfs/dbraw/zinc/19/96/43/735199643.db2.gz JHKRMYDYTXXZCS-SFYZADRCSA-N -2 3 289.291 1.174 20 0 CDADHL CCCCCC[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001609968624 1165168817 /nfs/dbraw/zinc/16/88/17/1165168817.db2.gz GRJNWZBVOZFCCS-UHFFFAOYSA-N -2 3 289.357 1.275 20 0 CDADHL COC(C)(C)CS(=O)(=O)[N-]c1ccsc1C(=O)[O-] ZINC001610223085 1165255664 /nfs/dbraw/zinc/25/56/64/1165255664.db2.gz FQDGUZVJNPSXIG-UHFFFAOYSA-N -2 3 293.366 1.613 20 0 CDADHL CC1(C)CC(OCCP(=O)([O-])[O-])CC(C)(C)N1O ZINC000200792184 909700065 /nfs/dbraw/zinc/70/00/65/909700065.db2.gz YPWMWQMQPMFCCO-UHFFFAOYSA-N -2 3 281.289 1.592 20 0 CDADHL COc1ccc(F)c(S(=O)(=O)[N-]C2=CC=C[CH]2)c1 ZINC001196791776 924982896 /nfs/dbraw/zinc/98/28/96/924982896.db2.gz FMLZXLUSOUYTNU-UHFFFAOYSA-N -2 3 268.289 1.771 20 0 CDADHL Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])C(F)(F)F)c([O-])c1 ZINC000829362952 926262718 /nfs/dbraw/zinc/26/27/18/926262718.db2.gz REQFPAOKNQLCCR-VIFPVBQESA-N -2 3 291.225 1.836 20 0 CDADHL O=C(NCc1nnn[n-]1)c1cccc(-c2ccccc2)c1[O-] ZINC001148870039 932800254 /nfs/dbraw/zinc/80/02/54/932800254.db2.gz PCQZVKRVRJOOGJ-UHFFFAOYSA-N -2 3 295.302 1.502 20 0 CDADHL O=P([O-])([O-])CCO[C@H]1C[C@H](OCc2ccccc2)C1 ZINC001224602293 941773785 /nfs/dbraw/zinc/77/37/85/941773785.db2.gz PRUNCSNXMYSFTF-JOCQHMNTSA-N -2 3 286.264 1.929 20 0 CDADHL Cc1cccc(OC[C@@H](C)OCCP(=O)([O-])[O-])c1 ZINC001224602997 941773877 /nfs/dbraw/zinc/77/38/77/941773877.db2.gz UUHUBEDYFHVHSN-LLVKDONJSA-N -2 3 274.253 1.957 20 0 CDADHL CCOC(=O)[C@H]1CC[C@H](OCCP(=O)([O-])[O-])CC1 ZINC001224601291 941774135 /nfs/dbraw/zinc/77/41/35/941774135.db2.gz FVINYWQXJCOYKR-MGCOHNPYSA-N -2 3 280.257 1.303 20 0 CDADHL CCCOC(=O)[C@@H](C)OCCCCP(=O)([O-])[O-] ZINC001225021971 941816285 /nfs/dbraw/zinc/81/62/85/941816285.db2.gz KYVVVZNYHSGKMR-SECBINFHSA-N -2 3 268.246 1.303 20 0 CDADHL O=c1nc(O[C@H]2CCC(=O)c3ccccc32)[n-]c(=O)[n-]1 ZINC001227566584 942189685 /nfs/dbraw/zinc/18/96/85/942189685.db2.gz HZZFLIQPEZQEHU-JTQLQIEISA-N -2 3 273.248 1.379 20 0 CDADHL CCC[C@@H](CC(=O)OCC)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233939907 943697088 /nfs/dbraw/zinc/69/70/88/943697088.db2.gz PZRRSGIMAHUKOA-QMMMGPOBSA-N -2 3 294.311 1.147 20 0 CDADHL CC1(C)CC(=O)CC[C@H]1Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233939721 943697206 /nfs/dbraw/zinc/69/72/06/943697206.db2.gz NESLWIMOVZPQPR-SECBINFHSA-N -2 3 276.296 1.173 20 0 CDADHL O=C([O-])c1ccccc1-c1cncc(-c2nnn[n-]2)c1 ZINC001242880394 946919751 /nfs/dbraw/zinc/91/97/51/946919751.db2.gz ZHSSRZUSTTUEHE-UHFFFAOYSA-N -2 3 267.248 1.627 20 0 CDADHL O=C([O-])c1ccccc1-c1cncc(-c2nn[n-]n2)c1 ZINC001242880394 946919762 /nfs/dbraw/zinc/91/97/62/946919762.db2.gz ZHSSRZUSTTUEHE-UHFFFAOYSA-N -2 3 267.248 1.627 20 0 CDADHL Cc1cc(C(=O)[O-])ccc1-c1cncc(-c2nnn[n-]2)c1 ZINC001243206177 947057856 /nfs/dbraw/zinc/05/78/56/947057856.db2.gz POFGRMSHHQUDNU-UHFFFAOYSA-N -2 3 281.275 1.935 20 0 CDADHL Cc1cc(C(=O)[O-])ccc1-c1cncc(-c2nn[n-]n2)c1 ZINC001243206177 947057866 /nfs/dbraw/zinc/05/78/66/947057866.db2.gz POFGRMSHHQUDNU-UHFFFAOYSA-N -2 3 281.275 1.935 20 0 CDADHL Cc1nc(N2CCC(C)(C(=O)[O-])CC2)cc(=O)[n-]1 ZINC000163153686 949395628 /nfs/dbraw/zinc/39/56/28/949395628.db2.gz UFZNSDGBPRZTCM-UHFFFAOYSA-N -2 3 251.286 1.182 20 0 CDADHL COc1ccc([N-]S(=O)(=O)C(F)(F)F)c([O-])c1 ZINC001252352736 951206287 /nfs/dbraw/zinc/20/62/87/951206287.db2.gz HAWZPFGOEZHOGI-UHFFFAOYSA-N -2 3 271.216 1.662 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC2CC(F)(F)C2)o1 ZINC000383468996 971870610 /nfs/dbraw/zinc/87/06/10/971870610.db2.gz CGLABKMGLUZYCV-UHFFFAOYSA-N -2 3 295.263 1.301 20 0 CDADHL O=C([O-])C1(c2noc(-c3ccccc3[O-])n2)CCC1 ZINC001594886650 954471075 /nfs/dbraw/zinc/47/10/75/954471075.db2.gz DFQNLOYQASRYGB-UHFFFAOYSA-N -2 3 260.249 1.949 20 0 CDADHL O=C([O-])CCS(=O)(=O)[N-]c1cccc2ccncc21 ZINC000149523240 959017718 /nfs/dbraw/zinc/01/77/18/959017718.db2.gz XNTNDCFRFGWLSM-UHFFFAOYSA-N -2 3 280.305 1.451 20 0 CDADHL Cc1nc(N2Cc3ccc(C(=O)[O-])cc3C2)cc(=O)[n-]1 ZINC000163328994 959232619 /nfs/dbraw/zinc/23/26/19/959232619.db2.gz HOZQPCAXBDISAN-UHFFFAOYSA-N -2 3 271.276 1.709 20 0 CDADHL C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)Cc1ccc([O-])c(F)c1 ZINC001574273859 960612743 /nfs/dbraw/zinc/61/27/43/960612743.db2.gz HTLQTBDITIGYHD-LDYMZIIASA-N -2 3 281.283 1.538 20 0 CDADHL CC(C)[C@]1(C)C[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694210064 976681998 /nfs/dbraw/zinc/68/19/98/976681998.db2.gz NAZBQVBDNPXGQM-SKDRFNHKSA-N -2 3 287.337 1.691 20 0 CDADHL CN(CC(=O)[O-])C(=O)c1cc2sccc2c([O-])c1 ZINC001598410313 991734657 /nfs/dbraw/zinc/73/46/57/991734657.db2.gz VQZVEYYUCHLSEZ-UHFFFAOYSA-N -2 3 265.290 1.764 20 0 CDADHL CCOc1cc(C(=O)[N-]c2nc(C(=O)[O-])c(C)s2)on1 ZINC001573801085 1170780989 /nfs/dbraw/zinc/78/09/89/1170780989.db2.gz KAIPAZBCSWCPON-UHFFFAOYSA-N -2 3 297.292 1.789 20 0 CDADHL O=C(c1ccccc1[O-])N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000332342431 362476569 /nfs/dbraw/zinc/47/65/69/362476569.db2.gz RABRKYSCILUURO-SECBINFHSA-N -2 3 289.291 1.501 20 0 CDADHL CSC[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000229349097 346552187 /nfs/dbraw/zinc/55/21/87/346552187.db2.gz BWAIYWHTJQSWCY-ZCFIWIBFSA-N -2 3 279.339 1.008 20 0 CDADHL Cc1cccc(F)c1S(=O)(=O)[N-]C[C@H](C)C(=O)[O-] ZINC000274919511 365854237 /nfs/dbraw/zinc/85/42/37/365854237.db2.gz MPDVDOWWIDJTEG-QMMMGPOBSA-N -2 3 275.301 1.133 20 0 CDADHL Cc1nnc(-n2[n-]c(-c3ccccc3)cc2=O)[n-]c1=O ZINC000614186041 348029074 /nfs/dbraw/zinc/02/90/74/348029074.db2.gz UKTABGAILGOPPH-UHFFFAOYSA-N -2 3 269.264 1.027 20 0 CDADHL O=C([O-])CC1([N-]S(=O)(=O)c2ccccc2F)CCC1 ZINC000094291229 482771269 /nfs/dbraw/zinc/77/12/69/482771269.db2.gz UXUSBWXTMWSKOF-UHFFFAOYSA-N -2 3 287.312 1.501 20 0 CDADHL Cc1ccc(C(=O)N2CCC[C@@H]2CC(=O)[O-])c([O-])c1 ZINC000042144514 357055090 /nfs/dbraw/zinc/05/50/90/357055090.db2.gz XFZMSXDBFNBYHR-SNVBAGLBSA-N -2 3 263.293 1.780 20 0 CDADHL Cc1csc(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)c1 ZINC000582057770 357479561 /nfs/dbraw/zinc/47/95/61/357479561.db2.gz DYKJOPRMFUVGIH-ZKCHVHJHSA-N -2 3 275.351 1.198 20 0 CDADHL Cc1csc(S(=O)(=O)[N-][C@H](CC2CC2)C(=O)[O-])c1 ZINC000566781765 370811205 /nfs/dbraw/zinc/81/12/05/370811205.db2.gz NZTVXPFBOKPTLI-SECBINFHSA-N -2 3 289.378 1.588 20 0 CDADHL COc1ccc(C(=O)N2C[C@@H](C)[C@](C)(C(=O)[O-])C2)c([O-])c1 ZINC000630304084 368673747 /nfs/dbraw/zinc/67/37/47/368673747.db2.gz BMTLLNALHSWIRN-RFAUZJTJSA-N -2 3 293.319 1.584 20 0 CDADHL O=C(N=c1[n-]nc(CC2CCCCC2)s1)c1nnc[n-]1 ZINC000543755105 368970961 /nfs/dbraw/zinc/97/09/61/368970961.db2.gz MFCZKIIKTNFTDQ-UHFFFAOYSA-N -2 3 292.368 1.453 20 0 CDADHL O=C(N=c1[n-]nc(CC2CCCCC2)s1)c1nc[n-]n1 ZINC000543755105 368970965 /nfs/dbraw/zinc/97/09/65/368970965.db2.gz MFCZKIIKTNFTDQ-UHFFFAOYSA-N -2 3 292.368 1.453 20 0 CDADHL O=C([O-])CCCCC[N-]S(=O)(=O)c1ccco1 ZINC000277303708 193615312 /nfs/dbraw/zinc/61/53/12/193615312.db2.gz SDEHIFGHBNVKRD-UHFFFAOYSA-N -2 3 261.299 1.203 20 0 CDADHL CC[C@H](CC[N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000297186473 371966726 /nfs/dbraw/zinc/96/67/26/371966726.db2.gz LNBRLTVZWHEYCF-MRVPVSSYSA-N -2 3 261.299 1.059 20 0 CDADHL CCCC[C@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)C(=O)[O-] ZINC000582546347 372342689 /nfs/dbraw/zinc/34/26/89/372342689.db2.gz OFBGFSIKPCUPOO-LBPRGKRZSA-N -2 3 293.319 1.968 20 0 CDADHL O=C([O-])[C@H]1CCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1 ZINC000263581378 372799054 /nfs/dbraw/zinc/79/90/54/372799054.db2.gz XBJUEMHKKGYAFP-NSHDSACASA-N -2 3 289.331 1.818 20 0 CDADHL O=C([O-])CCCCC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000655553286 483032584 /nfs/dbraw/zinc/03/25/84/483032584.db2.gz HBLZCSQWLYHTPH-UHFFFAOYSA-N -2 3 280.206 1.407 20 0 CDADHL COc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C(=O)[O-])c([O-])c1 ZINC000070524495 374665838 /nfs/dbraw/zinc/66/58/38/374665838.db2.gz ZUFRRVNTPGRRII-CMPLNLGQSA-N -2 3 293.319 1.774 20 0 CDADHL CC1(C)C[C@@H](C(=O)N=c2ccc([O-])n[n-]2)c2ccccc2O1 ZINC000415466993 375397744 /nfs/dbraw/zinc/39/77/44/375397744.db2.gz SZWDKWUFPUDMPD-LLVKDONJSA-N -2 3 299.330 1.888 20 0 CDADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cccs1)C(F)F ZINC000515706497 391789221 /nfs/dbraw/zinc/78/92/21/391789221.db2.gz SPTLGUIVTFWEPQ-ZCFIWIBFSA-N -2 3 299.320 1.382 20 0 CDADHL C[C@H]([C@H]([N-]S(=O)(=O)c1cccs1)C(=O)[O-])C1CC1 ZINC000548990706 391900474 /nfs/dbraw/zinc/90/04/74/391900474.db2.gz CHSKRRCNDHDSIP-XVKPBYJWSA-N -2 3 289.378 1.526 20 0 CDADHL Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)c([O-])c1 ZINC000262830555 131265340 /nfs/dbraw/zinc/26/53/40/131265340.db2.gz RIQJXYKWUJDMLO-QWRGUYRKSA-N -2 3 277.320 1.883 20 0 CDADHL CC(C)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000645942834 393417377 /nfs/dbraw/zinc/41/73/77/393417377.db2.gz XWEOELWAAYSFGY-ZETCQYMHSA-N -2 3 261.299 1.301 20 0 CDADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)C2CCC2)cc1C(=O)[O-] ZINC000645971427 393440935 /nfs/dbraw/zinc/44/09/35/393440935.db2.gz WJNDSRRQUFVWQM-ZETCQYMHSA-N -2 3 287.337 1.753 20 0 CDADHL CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000645941277 393411405 /nfs/dbraw/zinc/41/14/05/393411405.db2.gz YGNOFYGXHKGTTR-ZETCQYMHSA-N -2 3 261.299 1.445 20 0 CDADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2C=CCCC2)c1 ZINC000185041842 148383105 /nfs/dbraw/zinc/38/31/05/148383105.db2.gz IELJLYFKHXWFMR-SECBINFHSA-N -2 3 287.362 1.833 20 0 CDADHL COC(=O)c1ccc(C(=O)Nc2ncccc2[O-])[n-]1 ZINC000346302709 153132019 /nfs/dbraw/zinc/13/20/19/153132019.db2.gz FFPMEOLJGDFRCL-UHFFFAOYSA-N -2 3 261.237 1.154 20 0 CDADHL COc1ccc(C(=O)N(C)CCCC(=O)[O-])c([O-])c1 ZINC000037330097 173130860 /nfs/dbraw/zinc/13/08/60/173130860.db2.gz HPSKKUOVAHZRGW-UHFFFAOYSA-N -2 3 267.281 1.338 20 0 CDADHL CSc1ccccc1[N-]S(=O)(=O)CCC(=O)[O-] ZINC000037464369 173225341 /nfs/dbraw/zinc/22/53/41/173225341.db2.gz DRAVTKDBDRAUOJ-UHFFFAOYSA-N -2 3 275.351 1.625 20 0 CDADHL CCN(CCC(=O)[O-])C(=O)c1ccc(C)cc1[O-] ZINC000038023134 174005068 /nfs/dbraw/zinc/00/50/68/174005068.db2.gz VJSCNIQDIPWIQN-UHFFFAOYSA-N -2 3 251.282 1.637 20 0 CDADHL CCCC[C@H]([N-]S(=O)(=O)c1cncc(F)c1)C(=O)[O-] ZINC000044260646 175156664 /nfs/dbraw/zinc/15/66/64/175156664.db2.gz ZQBSWDOFEJHNFA-JTQLQIEISA-N -2 3 290.316 1.142 20 0 CDADHL Cc1csc(S(=O)(=O)[N-][C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC000519651912 265518986 /nfs/dbraw/zinc/51/89/86/265518986.db2.gz WXQRVRBQKCSRAP-DTWKUNHWSA-N -2 3 289.378 1.588 20 0 CDADHL COc1ccc([O-])c(C(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000037437832 295165177 /nfs/dbraw/zinc/16/51/77/295165177.db2.gz IXZONUGWTOJGGZ-NSHDSACASA-N -2 3 279.292 1.480 20 0 CDADHL COc1ccsc1S(=O)(=O)[N-][C@@H](C)CCC(=O)[O-] ZINC000275048573 295430114 /nfs/dbraw/zinc/43/01/14/295430114.db2.gz SAWOFJBGUHCRKU-ZETCQYMHSA-N -2 3 293.366 1.288 20 0 CDADHL Cc1ccc([O-])c(C(=O)N([C@H](C)C(=O)[O-])C2CC2)c1 ZINC000262788948 301650280 /nfs/dbraw/zinc/65/02/80/301650280.db2.gz KJJDWZDWIDFJEJ-SECBINFHSA-N -2 3 263.293 1.778 20 0 CDADHL CSC1(C(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001591689710 1173680477 /nfs/dbraw/zinc/68/04/77/1173680477.db2.gz HNTPNINZUHREKM-UHFFFAOYSA-N -2 3 291.336 1.172 20 0 CDADHL CSC1(C(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001591689710 1173680479 /nfs/dbraw/zinc/68/04/79/1173680479.db2.gz HNTPNINZUHREKM-UHFFFAOYSA-N -2 3 291.336 1.172 20 0 CDADHL CC(C)C[C@H](C(=O)[O-])[S@@](=O)c1ccc([O-])cc1 ZINC000566605315 316639216 /nfs/dbraw/zinc/63/92/16/316639216.db2.gz MFVYAYBCQWIHAE-DIFFPNOSSA-N -2 3 256.323 1.999 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]CC(C)C)cc1C(=O)[O-] ZINC000576224394 317098831 /nfs/dbraw/zinc/09/88/31/317098831.db2.gz ODBLPHNJMCVQFL-UHFFFAOYSA-N -2 3 261.299 1.221 20 0 CDADHL O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)cc(F)c2)C1 ZINC000578232029 317497099 /nfs/dbraw/zinc/49/70/99/317497099.db2.gz FEEHJJSCTNDEEJ-JOTVFPGJSA-N -2 3 291.275 1.106 20 0 CDADHL Cc1nocc1S(=O)(=O)[N-]C1(CC(=O)[O-])CCCC1 ZINC001600818003 1174626972 /nfs/dbraw/zinc/62/69/72/1174626972.db2.gz HNIUFUZSTSYBLX-UHFFFAOYSA-N -2 3 288.325 1.049 20 0 CDADHL O=C([O-])[C@]1(CNC(=O)c2cc([O-])ccc2Cl)CCOC1 ZINC001601473689 1174879680 /nfs/dbraw/zinc/87/96/80/1174879680.db2.gz WABDFRVHOPGZKU-ZDUSSCGKSA-N -2 3 299.710 1.267 20 0 CDADHL O=C([O-])N1CCC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC000739387114 576222991 /nfs/dbraw/zinc/22/29/91/576222991.db2.gz GUYWDXBAIGPCJW-VIFPVBQESA-N -2 3 264.281 1.264 20 0 CDADHL CC(C)[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C(=O)[O-] ZINC000037432654 597190752 /nfs/dbraw/zinc/19/07/52/597190752.db2.gz FWNHOOGWTWSDSL-CYBMUJFWSA-N -2 3 288.303 1.367 20 0 CDADHL O=C([O-])CCCCNC(=O)c1cc2c(cc1[O-])OCO2 ZINC000821518829 598168455 /nfs/dbraw/zinc/16/84/55/598168455.db2.gz CHCKDYDBVLNNCU-UHFFFAOYSA-N -2 3 281.264 1.106 20 0 CDADHL Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cccc(C(=O)[O-])c1 ZINC000833003168 601845642 /nfs/dbraw/zinc/84/56/42/601845642.db2.gz MLGUDOJNNGAISR-UHFFFAOYSA-N -2 3 289.247 1.147 20 0 CDADHL Cc1nonc1C(=O)[N-]c1nc(CCC(=O)[O-])cs1 ZINC000833023949 604734934 /nfs/dbraw/zinc/73/49/34/604734934.db2.gz PCLJYDPWZAZKTC-UHFFFAOYSA-N -2 3 282.281 1.104 20 0 CDADHL CC(C)C[C@H](CNC(=O)c1c([O-])cccc1O)C(=O)[O-] ZINC000232429806 604773784 /nfs/dbraw/zinc/77/37/84/604773784.db2.gz KOQXBKTYFBJRPA-SECBINFHSA-N -2 3 281.308 1.575 20 0 CDADHL C[C@H](OC(=O)c1cc(F)cc(Cl)c1[O-])C(=O)[O-] ZINC000820177988 618515220 /nfs/dbraw/zinc/51/52/20/618515220.db2.gz WTOWMBQYARZOGQ-BYPYZUCNSA-N -2 3 262.620 1.815 20 0 CDADHL C[C@@H](C(=O)[O-])[C@H](C)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000909650209 620545088 /nfs/dbraw/zinc/54/50/88/620545088.db2.gz UNGSQJQCNIREAL-SFYZADRCSA-N -2 3 269.272 1.299 20 0 CDADHL O=C([O-])c1cccc(CC(=O)[N-]OCC(F)F)c1 ZINC000911803478 629533624 /nfs/dbraw/zinc/53/36/24/629533624.db2.gz RLWBZBYIEPWLPY-UHFFFAOYSA-N -2 3 259.208 1.240 20 0 CDADHL O=C([O-])C12CC(C(=O)[N-]OC3CCCCC3)(C1)C2 ZINC000911807270 629538328 /nfs/dbraw/zinc/53/83/28/629538328.db2.gz YPTBSSJQYDKSNH-UHFFFAOYSA-N -2 3 253.298 1.622 20 0 CDADHL Cc1ccc(-c2c(C(=O)[O-])cnn2C)cc1-c1nnn[n-]1 ZINC001605759831 1163662661 /nfs/dbraw/zinc/66/26/61/1163662661.db2.gz VGWUZJFAIZSLAE-UHFFFAOYSA-N -2 3 284.279 1.274 20 0 CDADHL Cc1ccc(-c2c(C(=O)[O-])cnn2C)cc1-c1nn[n-]n1 ZINC001605759831 1163662666 /nfs/dbraw/zinc/66/26/66/1163662666.db2.gz VGWUZJFAIZSLAE-UHFFFAOYSA-N -2 3 284.279 1.274 20 0 CDADHL CN(C(=O)c1ccccc1[O-])[C@H](COC1CCC1)C(=O)[O-] ZINC001605985392 1163737092 /nfs/dbraw/zinc/73/70/92/1163737092.db2.gz KTCPTURXYXQLKL-GFCCVEGCSA-N -2 3 293.319 1.487 20 0 CDADHL O=C([N-]Oc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCS1 ZINC001606863457 1164019833 /nfs/dbraw/zinc/01/98/33/1164019833.db2.gz AUZQNIGIENIUFF-JTQLQIEISA-N -2 3 291.336 1.172 20 0 CDADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCS1 ZINC001606863457 1164019839 /nfs/dbraw/zinc/01/98/39/1164019839.db2.gz AUZQNIGIENIUFF-JTQLQIEISA-N -2 3 291.336 1.172 20 0 CDADHL C[C@@H](CNc1c(F)cc(-c2nnn[n-]2)cc1F)C(=O)[O-] ZINC001589875935 1173193653 /nfs/dbraw/zinc/19/36/53/1173193653.db2.gz LXIIJQMWSATMLW-YFKPBYRVSA-N -2 3 283.238 1.278 20 0 CDADHL C[C@@H](CNc1c(F)cc(-c2nn[n-]n2)cc1F)C(=O)[O-] ZINC001589875935 1173193661 /nfs/dbraw/zinc/19/36/61/1173193661.db2.gz LXIIJQMWSATMLW-YFKPBYRVSA-N -2 3 283.238 1.278 20 0 CDADHL Cc1nc(N[C@H](C)[C@H](C)C(=O)[O-])ccc1-c1nnn[n-]1 ZINC001592377335 1173873408 /nfs/dbraw/zinc/87/34/08/1173873408.db2.gz SSVHBVIBKBKWDN-NKWVEPMBSA-N -2 3 276.300 1.091 20 0 CDADHL Cc1nc(N[C@H](C)[C@H](C)C(=O)[O-])ccc1-c1nn[n-]n1 ZINC001592377335 1173873412 /nfs/dbraw/zinc/87/34/12/1173873412.db2.gz SSVHBVIBKBKWDN-NKWVEPMBSA-N -2 3 276.300 1.091 20 0 CDADHL Cc1cc(=O)[n-]c(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)n1 ZINC001600285405 1174437603 /nfs/dbraw/zinc/43/76/03/1174437603.db2.gz LEVHKEGMMIVELK-VHSXEESVSA-N -2 3 263.297 1.038 20 0 CDADHL Cc1ccc(C(=O)CCC(=O)[N-]OCCCC(=O)[O-])cc1 ZINC001600330752 1174444855 /nfs/dbraw/zinc/44/48/55/1174444855.db2.gz RZARCZFKJKPQIR-UHFFFAOYSA-N -2 3 293.319 1.871 20 0 CDADHL Cc1ccc(C(=O)Nc2cccc(CC(=O)[O-])n2)c([O-])c1 ZINC001600343889 1174449850 /nfs/dbraw/zinc/44/98/50/1174449850.db2.gz LGCJWSSNRBIOTP-UHFFFAOYSA-N -2 3 286.287 1.975 20 0 CDADHL O=C([O-])C[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)cn1 ZINC000095177016 1174504510 /nfs/dbraw/zinc/50/45/10/1174504510.db2.gz XIRONQIWOQLQQV-SNVBAGLBSA-N -2 3 288.311 1.095 20 0 CDADHL O=C([O-])C[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)cn1 ZINC000095177016 1174504513 /nfs/dbraw/zinc/50/45/13/1174504513.db2.gz XIRONQIWOQLQQV-SNVBAGLBSA-N -2 3 288.311 1.095 20 0 CDADHL Cn1cc(C(=O)[O-])c(NC([O-])=NOC2CCCCC2)n1 ZINC001600936136 1174670381 /nfs/dbraw/zinc/67/03/81/1174670381.db2.gz COQPILFHPVRSAK-UHFFFAOYSA-N -2 3 282.300 1.504 20 0 CDADHL CC(=O)Nc1ccc([O-])c(C(=O)N(CC(=O)[O-])C2CC2)c1 ZINC001603074656 1175486622 /nfs/dbraw/zinc/48/66/22/1175486622.db2.gz QNFUWXJRNFWQKH-UHFFFAOYSA-N -2 3 292.291 1.040 20 0 CDADHL O=S(=O)([N-]c1ccc(Cl)cc1[O-])C1CCOCC1 ZINC000160401837 1178409995 /nfs/dbraw/zinc/40/99/95/1178409995.db2.gz HTASQYHCQJLDHU-UHFFFAOYSA-N -2 3 291.756 1.966 20 0 CDADHL Cc1cc(F)c(CN[C@@H](CCC(=O)[O-])C(=O)[O-])c(F)c1 ZINC001771909540 1186947286 /nfs/dbraw/zinc/94/72/86/1186947286.db2.gz KXXOPXCNVZZGTI-NSHDSACASA-N -2 3 287.262 1.681 20 0 CDADHL COC(=O)c1cc(C(=O)O[C@@H](CC(C)(C)C)C(=O)[O-])c[n-]1 ZINC001606537550 1163926186 /nfs/dbraw/zinc/92/61/86/1163926186.db2.gz MYZDFQFBTFJVTJ-JTQLQIEISA-N -2 3 297.307 1.848 20 0 CDADHL Nc1ccc(C(=O)NC[C@H](CC2CC2)C(=O)[O-])c([O-])c1 ZINC001608272169 1164475597 /nfs/dbraw/zinc/47/55/97/1164475597.db2.gz RFMAHHPDUVVHEW-VIFPVBQESA-N -2 3 278.308 1.205 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)C[C@H]1CC[C@@H](C2CC2)O1 ZINC001608715681 1164617981 /nfs/dbraw/zinc/61/79/81/1164617981.db2.gz ALVKCBSWNLIISM-MNOVXSKESA-N -2 3 271.313 1.247 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)Cc1ccc2c(c1)CCC2 ZINC001608716387 1164619487 /nfs/dbraw/zinc/61/94/87/1164619487.db2.gz KOIDAGCBXCLBNH-UHFFFAOYSA-N -2 3 277.320 1.630 20 0 CDADHL COc1ncc[n-]c1=NNC(=O)c1ccc([O-])c(Cl)c1 ZINC000184362601 736871099 /nfs/dbraw/zinc/87/10/99/736871099.db2.gz JLBSKUXKTGXAKB-UHFFFAOYSA-N -2 3 294.698 1.601 20 0 CDADHL CC(C)OCCO[N-]C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000848108915 737005725 /nfs/dbraw/zinc/00/57/25/737005725.db2.gz YKJHTQKZHAJTGY-UHFFFAOYSA-N -2 3 281.312 1.146 20 0 CDADHL CC[C@@H](CNC(=O)c1nnc2ccccc2c1[O-])C(=O)[O-] ZINC000844159067 738749809 /nfs/dbraw/zinc/74/98/09/738749809.db2.gz QZOPWHUOTPGYNW-QMMMGPOBSA-N -2 3 289.291 1.176 20 0 CDADHL O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000828126420 738852022 /nfs/dbraw/zinc/85/20/22/738852022.db2.gz AYQIBHAFIOPLRZ-VHSXEESVSA-N -2 3 281.283 1.648 20 0 CDADHL C[C@H]1SCC[C@H]1[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871995034 738862124 /nfs/dbraw/zinc/86/21/24/738862124.db2.gz HJELVQKMERCMFW-HTRCEHHLSA-N -2 3 291.350 1.150 20 0 CDADHL CC[C@](C)(NC(=O)c1cc(F)cc2n[n-]nc21)C(=O)[O-] ZINC001609896605 1165136446 /nfs/dbraw/zinc/13/64/46/1165136446.db2.gz QSEALYRDCGWRLD-LBPRGKRZSA-N -2 3 280.259 1.080 20 0 CDADHL Cc1nc2ccc(NCCOP(=O)([O-])[O-])cc2[nH]1 ZINC001168590866 919351124 /nfs/dbraw/zinc/35/11/24/919351124.db2.gz ABJOWBSNJXYSQB-UHFFFAOYSA-N -2 3 271.213 1.393 20 0 CDADHL O=C(NCCP(=O)([O-])[O-])Oc1ccc(Cl)cc1 ZINC001194068807 924049697 /nfs/dbraw/zinc/04/96/97/924049697.db2.gz GYYSDMVOYPQZCH-UHFFFAOYSA-N -2 3 279.616 1.606 20 0 CDADHL CCOC([O-])=NC(=S)Nc1ncc(Cl)cc1[O-] ZINC001195458290 924602183 /nfs/dbraw/zinc/60/21/83/924602183.db2.gz MCQVSNYUICOGPN-UHFFFAOYSA-N -2 3 275.717 1.884 20 0 CDADHL CCOC(=O)[N-]C(=S)Nc1ncc(Cl)cc1[O-] ZINC001195458290 924602185 /nfs/dbraw/zinc/60/21/85/924602185.db2.gz MCQVSNYUICOGPN-UHFFFAOYSA-N -2 3 275.717 1.884 20 0 CDADHL O=P([O-])([O-])CCNC(=S)Nc1ccc(Cl)cc1 ZINC001197344899 925118266 /nfs/dbraw/zinc/11/82/66/925118266.db2.gz WLRXEWPMGDICQH-UHFFFAOYSA-N -2 3 294.700 1.804 20 0 CDADHL O=C([O-])c1sccc1-c1cncc(-c2nnn[n-]2)c1 ZINC001205586385 939906370 /nfs/dbraw/zinc/90/63/70/939906370.db2.gz NJETVMYVXMVUSM-UHFFFAOYSA-N -2 3 273.277 1.688 20 0 CDADHL O=C([O-])c1sccc1-c1cncc(-c2nn[n-]n2)c1 ZINC001205586385 939906372 /nfs/dbraw/zinc/90/63/72/939906372.db2.gz NJETVMYVXMVUSM-UHFFFAOYSA-N -2 3 273.277 1.688 20 0 CDADHL COc1nonc1[N-]c1cc(F)cc(C(=O)[O-])c1 ZINC001209886582 940649557 /nfs/dbraw/zinc/64/95/57/940649557.db2.gz UJBYKJFWRBMVAZ-UHFFFAOYSA-N -2 3 253.189 1.659 20 0 CDADHL COc1ccc2c(c1)CC[C@@H](OCCP(=O)([O-])[O-])C2 ZINC001224600854 941774331 /nfs/dbraw/zinc/77/43/31/941774331.db2.gz AMLLZWKUZKRWCW-CYBMUJFWSA-N -2 3 286.264 1.747 20 0 CDADHL O=c1nc(O[C@@H]2CCCc3cccnc32)[n-]c(=O)[n-]1 ZINC001227569202 942191276 /nfs/dbraw/zinc/19/12/76/942191276.db2.gz VHRJRIUPYJFOFI-MRVPVSSYSA-N -2 3 260.253 1.134 20 0 CDADHL CCOC(=O)[C@H](CC(C)C)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233938729 943695819 /nfs/dbraw/zinc/69/58/19/943695819.db2.gz DSJOGEBHUSCKRQ-VIFPVBQESA-N -2 3 294.311 1.003 20 0 CDADHL NC(=O)c1ccc([N-]S(=O)(=O)C2CCCCC2)c([O-])c1 ZINC001259816261 945649381 /nfs/dbraw/zinc/64/93/81/945649381.db2.gz VGOFPFKOGLOEIV-UHFFFAOYSA-N -2 3 298.364 1.566 20 0 CDADHL CC(=O)c1cccc([O-])c1[N-]S(=O)(=O)CC(C)C ZINC001259886839 945682807 /nfs/dbraw/zinc/68/28/07/945682807.db2.gz YVOJFPQWBWGOID-UHFFFAOYSA-N -2 3 271.338 1.993 20 0 CDADHL CC(=O)c1cccc(NC(=O)CCC(=O)[O-])c1[O-] ZINC001602773982 971507786 /nfs/dbraw/zinc/50/77/86/971507786.db2.gz LUOWKWRELQXXJU-UHFFFAOYSA-N -2 3 251.238 1.398 20 0 CDADHL O=C([O-])c1cc(NC(=O)c2c([O-])cccc2O)ccn1 ZINC000232429287 949770732 /nfs/dbraw/zinc/77/07/32/949770732.db2.gz ZLNAFBAXCZNNBM-UHFFFAOYSA-N -2 3 274.232 1.443 20 0 CDADHL CCOC(=O)c1ncc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)[n-]1 ZINC001591279644 951121704 /nfs/dbraw/zinc/12/17/04/951121704.db2.gz IAMNASCFXRVLMX-SFYZADRCSA-N -2 3 295.295 1.026 20 0 CDADHL CCOC(=O)c1nc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)c[n-]1 ZINC001591279644 951121709 /nfs/dbraw/zinc/12/17/09/951121709.db2.gz IAMNASCFXRVLMX-SFYZADRCSA-N -2 3 295.295 1.026 20 0 CDADHL CCOc1nnc(NC(=O)C=Cc2ccc(C(=O)[O-])o2)[n-]1 ZINC001593060891 951398032 /nfs/dbraw/zinc/39/80/32/951398032.db2.gz PIWLDLXBNYKONQ-XQRVVYSFSA-N -2 3 292.251 1.147 20 0 CDADHL CCOc1nc(NC(=O)C=Cc2ccc(C(=O)[O-])o2)n[n-]1 ZINC001593060891 951398043 /nfs/dbraw/zinc/39/80/43/951398043.db2.gz PIWLDLXBNYKONQ-XQRVVYSFSA-N -2 3 292.251 1.147 20 0 CDADHL CCOc1n[n-]c(NC(=O)C=Cc2ccc(C(=O)[O-])o2)n1 ZINC001593060891 951398056 /nfs/dbraw/zinc/39/80/56/951398056.db2.gz PIWLDLXBNYKONQ-XQRVVYSFSA-N -2 3 292.251 1.147 20 0 CDADHL O=C([O-])CCCCCNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001595037877 951414644 /nfs/dbraw/zinc/41/46/44/951414644.db2.gz WXPBZFPMQBRVSG-UHFFFAOYSA-N -2 3 293.323 1.434 20 0 CDADHL O=C(Nc1c[n-][nH]c1=O)c1ccc(Br)cc1[O-] ZINC001364158274 954265820 /nfs/dbraw/zinc/26/58/20/954265820.db2.gz ZRWVGPIMMJCNGF-UHFFFAOYSA-N -2 3 298.096 1.836 20 0 CDADHL COc1ccccc1CO[N-]C(=O)C1(CC(=O)[O-])CCC1 ZINC001594146433 958769564 /nfs/dbraw/zinc/76/95/64/958769564.db2.gz OPDPSHZPGPGFNS-UHFFFAOYSA-N -2 3 293.319 1.888 20 0 CDADHL O=C([O-])c1cc(NC(=O)Cc2ccc([O-])c(F)c2)[nH]n1 ZINC001574534228 961911446 /nfs/dbraw/zinc/91/14/46/961911446.db2.gz BMHHNSGCOLNOKT-UHFFFAOYSA-N -2 3 279.227 1.134 20 0 CDADHL O=C([O-])c1ccccc1CC(=O)Nc1ncccc1[O-] ZINC001574537646 961923159 /nfs/dbraw/zinc/92/31/59/961923159.db2.gz FTLMLPRSPBZGCB-UHFFFAOYSA-N -2 3 272.260 1.667 20 0 CDADHL COc1nscc1[N-]C(=O)c1cc(C(=O)[O-])co1 ZINC001570990056 963147021 /nfs/dbraw/zinc/14/70/21/963147021.db2.gz UHSHPLCUQUTIDT-UHFFFAOYSA-N -2 3 268.250 1.695 20 0 CDADHL CC(C)[C@H](CNC(=O)c1c([O-])cccc1O)C(=O)[O-] ZINC000232429523 967740965 /nfs/dbraw/zinc/74/09/65/967740965.db2.gz QVGOFMVAIOYHHC-QMMMGPOBSA-N -2 3 267.281 1.184 20 0 CDADHL CC[C@](C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)OC ZINC000694175807 976676606 /nfs/dbraw/zinc/67/66/06/976676606.db2.gz JHNQHZKAIMRDDX-LLVKDONJSA-N -2 3 291.325 1.071 20 0 CDADHL CO[C@@]1(C(=O)[O-])CCN(C(=O)c2c(C)cccc2[O-])C1 ZINC000706577242 977355068 /nfs/dbraw/zinc/35/50/68/977355068.db2.gz OLHXEBMGHLWOJV-AWEZNQCLSA-N -2 3 279.292 1.016 20 0 CDADHL CC[C@H](C(=O)[O-])C(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001594749091 981647683 /nfs/dbraw/zinc/64/76/83/981647683.db2.gz UGYPEGNYDHNLKG-UHNVWZDZSA-N -2 3 294.233 1.112 20 0 CDADHL Cc1n[n-]cc1C(=O)O[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC001599969143 985972852 /nfs/dbraw/zinc/97/28/52/985972852.db2.gz KCNQCCCDZMZCIV-LBPRGKRZSA-N -2 3 292.266 1.710 20 0 CDADHL CC1(C(=O)[O-])CCN(Cc2ccc(C(=O)[O-])[nH]2)CC1 ZINC001593797278 996515400 /nfs/dbraw/zinc/51/54/00/996515400.db2.gz NALDIROAXPHBAF-UHFFFAOYSA-N -2 3 266.297 1.400 20 0 CDADHL C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC001594158719 998588038 /nfs/dbraw/zinc/58/80/38/998588038.db2.gz LMEJQSIFNMBECW-SFYZADRCSA-N -2 3 293.275 1.056 20 0 CDADHL O=C([O-])CCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001593277595 1174047463 /nfs/dbraw/zinc/04/74/63/1174047463.db2.gz DLRONAAHGLLGGS-UHFFFAOYSA-N -2 3 295.686 1.323 20 0 CDADHL O=C([O-])CCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001593277595 1174047470 /nfs/dbraw/zinc/04/74/70/1174047470.db2.gz DLRONAAHGLLGGS-UHFFFAOYSA-N -2 3 295.686 1.323 20 0 CDADHL CC(C)(C)CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000123849453 342065740 /nfs/dbraw/zinc/06/57/40/342065740.db2.gz UXDBLBIFSNZQQA-UHFFFAOYSA-N -2 3 275.326 1.692 20 0 CDADHL C[C@@H]([N-]S(=O)(=O)c1ccccc1F)[C@@H](C)C(=O)[O-] ZINC000133159723 342069879 /nfs/dbraw/zinc/06/98/79/342069879.db2.gz WGVRYCMGFPELNV-HTQZYQBOSA-N -2 3 275.301 1.213 20 0 CDADHL CCn1cc(S(=O)(=O)[N-]c2cccc([O-])c2F)cn1 ZINC000131549138 342234705 /nfs/dbraw/zinc/23/47/05/342234705.db2.gz DYNQHZQUVRXCDY-UHFFFAOYSA-N -2 3 285.300 1.549 20 0 CDADHL O=C([O-])CCN(C(=O)c1ccc2n[n-]nc2c1)C1CC1 ZINC000037582780 539142633 /nfs/dbraw/zinc/14/26/33/539142633.db2.gz MUOLZUMFQOPETH-UHFFFAOYSA-N -2 3 274.280 1.037 20 0 CDADHL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000274943910 365863744 /nfs/dbraw/zinc/86/37/44/365863744.db2.gz FMCGOTRLLNFBCM-SSDOTTSWSA-N -2 3 292.744 1.267 20 0 CDADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2CC=CCC2)c1 ZINC000088747441 349273491 /nfs/dbraw/zinc/27/34/91/349273491.db2.gz YBYAFAJGUNOODG-SECBINFHSA-N -2 3 287.362 1.833 20 0 CDADHL Cc1cccc(C(=O)N([C@H](C)C(=O)[O-])C2CC2)c1[O-] ZINC000262856842 357164716 /nfs/dbraw/zinc/16/47/16/357164716.db2.gz YEIPEAPIZSDPPS-SECBINFHSA-N -2 3 263.293 1.778 20 0 CDADHL COc1cccc(C(=O)NCCCCCC(=O)[O-])c1[O-] ZINC000019512491 357652960 /nfs/dbraw/zinc/65/29/60/357652960.db2.gz XBBFOUTUDHBYAI-UHFFFAOYSA-N -2 3 281.308 1.776 20 0 CDADHL Cc1ccc(C(=O)NCc2nc(C(=O)[O-])cs2)c([O-])c1 ZINC000090932311 358379319 /nfs/dbraw/zinc/37/93/19/358379319.db2.gz OFFOIBBFPOYTQQ-UHFFFAOYSA-N -2 3 292.316 1.785 20 0 CDADHL Cc1ccccc1C[C@@H](C)C(=O)N=c1ccc([O-])n[n-]1 ZINC000637127192 359244720 /nfs/dbraw/zinc/24/47/20/359244720.db2.gz JNXQKFQYWMNNKR-LLVKDONJSA-N -2 3 271.320 1.730 20 0 CDADHL C[C@@H](O[C@@H](C)C(=O)Nc1cc(F)ccc1[O-])C(=O)[O-] ZINC000421803932 359432648 /nfs/dbraw/zinc/43/26/48/359432648.db2.gz IVPAYXJEXZUIJW-NKWVEPMBSA-N -2 3 271.244 1.348 20 0 CDADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(C)noc1C ZINC000297326505 200149489 /nfs/dbraw/zinc/14/94/89/200149489.db2.gz XHMVHGNUUPKCPA-VIFPVBQESA-N -2 3 290.341 1.213 20 0 CDADHL CC(C)(CCNC(=O)NCc1ncccc1[O-])C(=O)[O-] ZINC000424405829 360035744 /nfs/dbraw/zinc/03/57/44/360035744.db2.gz PNPRNZLQQPGPOO-UHFFFAOYSA-N -2 3 281.312 1.087 20 0 CDADHL Cn1[n-]c(=NC(=O)c2c([O-])cccc2[O-])cc1OC(F)F ZINC000436862706 364546756 /nfs/dbraw/zinc/54/67/56/364546756.db2.gz HTTTXEHROCHRND-UHFFFAOYSA-N -3 3 299.233 1.107 20 0 CDADHL CC[C@@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)C(=O)[O-] ZINC000270416401 364592316 /nfs/dbraw/zinc/59/23/16/364592316.db2.gz DGTMMFRTOHVIKP-SECBINFHSA-N -2 3 295.719 1.621 20 0 CDADHL CCc1ncc(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])s1 ZINC000582462550 372298801 /nfs/dbraw/zinc/29/88/01/372298801.db2.gz ZKLMIGMCHJQAID-UHFFFAOYSA-N -2 3 292.382 1.237 20 0 CDADHL CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccccc1F ZINC000084147093 373663295 /nfs/dbraw/zinc/66/32/95/373663295.db2.gz FLAFZRZQYYFBQP-UHFFFAOYSA-N -2 3 275.301 1.357 20 0 CDADHL COc1cccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)c1[O-] ZINC000263524095 390553790 /nfs/dbraw/zinc/55/37/90/390553790.db2.gz SMCMMWCPYWMJIV-ZJUUUORDSA-N -2 3 293.319 1.726 20 0 CDADHL C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000430383404 391937601 /nfs/dbraw/zinc/93/76/01/391937601.db2.gz CJLCUEUPOQLAFC-YFKPBYRVSA-N -2 3 298.147 1.745 20 0 CDADHL COc1ccc([O-])c(C(=O)N(CCC(=O)[O-])CC(C)C)c1 ZINC000262153966 131195563 /nfs/dbraw/zinc/19/55/63/131195563.db2.gz NKZRWHSLCLPIMQ-UHFFFAOYSA-N -2 3 295.335 1.974 20 0 CDADHL CCc1ncc(S(=O)(=O)[N-]C[C@@H](C)CC(=O)[O-])s1 ZINC000548592217 393329736 /nfs/dbraw/zinc/32/97/36/393329736.db2.gz JSFDMKJEFREPHG-ZETCQYMHSA-N -2 3 292.382 1.095 20 0 CDADHL O=C(N=c1ccc([O-])n[n-]1)c1cnnc(-c2ccccc2)c1 ZINC000362170148 159090610 /nfs/dbraw/zinc/09/06/10/159090610.db2.gz DBYPEVGMCGWDFL-UHFFFAOYSA-N -2 3 293.286 1.313 20 0 CDADHL C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000037406091 173181890 /nfs/dbraw/zinc/18/18/90/173181890.db2.gz XMJLYSYHBSVNKR-YFKPBYRVSA-N -2 3 298.147 1.745 20 0 CDADHL O=C([O-])CCCCCCNC(=O)c1ccc2n[n-]nc2c1 ZINC000037453670 173219227 /nfs/dbraw/zinc/21/92/27/173219227.db2.gz PSDIDSNDMFSJSK-UHFFFAOYSA-N -2 3 290.323 1.723 20 0 CDADHL CCN(C(=O)c1c[n-]c2ccccc2c1=O)[C@H](C)C(=O)[O-] ZINC000659770779 414098488 /nfs/dbraw/zinc/09/84/88/414098488.db2.gz GZYBGXPFLPWPDG-SECBINFHSA-N -2 3 288.303 1.463 20 0 CDADHL CCC[C@H](C)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000663419459 414241729 /nfs/dbraw/zinc/24/17/29/414241729.db2.gz HYJKPLRINNXMTA-QMMMGPOBSA-N -2 3 275.326 1.753 20 0 CDADHL Cc1ccc(C(=O)Nc2cnn(CC(=O)[O-])c2)c([O-])c1 ZINC000038029791 174020898 /nfs/dbraw/zinc/02/08/98/174020898.db2.gz FVDWTLZOVFOHNK-UHFFFAOYSA-N -2 3 275.264 1.234 20 0 CDADHL C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000071207417 176080995 /nfs/dbraw/zinc/08/09/95/176080995.db2.gz SJJWCXBXBNHMMV-YUMQZZPRSA-N -2 3 273.310 1.445 20 0 CDADHL C[C@@H]([N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1)C(=O)[O-] ZINC000071494072 176191264 /nfs/dbraw/zinc/19/12/64/176191264.db2.gz XMXAWFHHUZDIFB-SCSAIBSYSA-N -2 3 299.135 1.140 20 0 CDADHL Cc1oc(S(=O)(=O)[N-][C@H](C)CC(C)C)cc1C(=O)[O-] ZINC000569966631 316885085 /nfs/dbraw/zinc/88/50/85/316885085.db2.gz ITTPEUILSHBVII-MRVPVSSYSA-N -2 3 289.353 1.999 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]C2(C(=O)[O-])CCCC2)o1 ZINC000669443953 483142190 /nfs/dbraw/zinc/14/21/90/483142190.db2.gz UHLYLEWGNKKVAK-UHFFFAOYSA-N -2 3 273.310 1.264 20 0 CDADHL O=C([O-])CCN(CC1CC1)C(=O)c1ccc2n[n-]nc2c1 ZINC000675970201 483388424 /nfs/dbraw/zinc/38/84/24/483388424.db2.gz KIXBILJVLBAOOE-UHFFFAOYSA-N -2 3 288.307 1.285 20 0 CDADHL Cc1ccc(CC(=O)[N-]OCCCCC(=O)[O-])cc1 ZINC001600400228 1174463370 /nfs/dbraw/zinc/46/33/70/1174463370.db2.gz ZRXRSHJDHMVFEB-UHFFFAOYSA-N -2 3 265.309 1.840 20 0 CDADHL Cc1sc(C(=O)[O-])cc1CSCCc1nnn[n-]1 ZINC001600868204 1174649700 /nfs/dbraw/zinc/64/97/00/1174649700.db2.gz WKMRJLRPEFDSRR-UHFFFAOYSA-N -2 3 284.366 1.744 20 0 CDADHL Cc1sc(C(=O)[O-])cc1CSCCc1nn[n-]n1 ZINC001600868204 1174649702 /nfs/dbraw/zinc/64/97/02/1174649702.db2.gz WKMRJLRPEFDSRR-UHFFFAOYSA-N -2 3 284.366 1.744 20 0 CDADHL Cc1ccc(CC[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)o1 ZINC000689814350 599771011 /nfs/dbraw/zinc/77/10/11/599771011.db2.gz SHSKZCXAPHFABQ-UHFFFAOYSA-N -2 3 299.304 1.400 20 0 CDADHL COCCCCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000234611506 599774828 /nfs/dbraw/zinc/77/48/28/599774828.db2.gz OLESQLQCFGFYDH-UHFFFAOYSA-N -2 3 291.325 1.073 20 0 CDADHL O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ncccc2[O-])C1 ZINC000833188108 601386479 /nfs/dbraw/zinc/38/64/79/601386479.db2.gz LGUXFWQURICGGD-DTWKUNHWSA-N -2 3 264.281 1.617 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC(F)F)c(Cl)c1 ZINC000310794304 601388024 /nfs/dbraw/zinc/38/80/24/601388024.db2.gz RMYUDPTWZGHDRM-UHFFFAOYSA-N -2 3 299.682 1.582 20 0 CDADHL O=C([O-])CN(C(=O)c1cc(=O)c2ccccc2[n-]1)C1CC1 ZINC000037589236 601745670 /nfs/dbraw/zinc/74/56/70/601745670.db2.gz UWCKHAZNNRGWRI-UHFFFAOYSA-N -2 3 286.287 1.217 20 0 CDADHL Cc1cc(=O)[n-]c(CN(C)[C@H](C(=O)[O-])c2ccccc2)n1 ZINC000832899152 602314377 /nfs/dbraw/zinc/31/43/77/602314377.db2.gz HYNOZVVKUXWDOS-AWEZNQCLSA-N -2 3 287.319 1.748 20 0 CDADHL C[C@@H](CN(C(=O)Cc1ccc([O-])c(F)c1)C1CC1)C(=O)[O-] ZINC000909455340 619327985 /nfs/dbraw/zinc/32/79/85/619327985.db2.gz HJTFYMFVPOPWAG-VIFPVBQESA-N -2 3 295.310 1.786 20 0 CDADHL C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC000903026525 625803317 /nfs/dbraw/zinc/80/33/17/625803317.db2.gz QNZPSHVSSSGKNP-RQJHMYQMSA-N -2 3 290.366 1.308 20 0 CDADHL O=C([N-]OCCC(F)(F)F)c1cnc(C2CC2)[n-]c1=O ZINC000907542626 627707921 /nfs/dbraw/zinc/70/79/21/627707921.db2.gz CXJRPQACAVWXGZ-UHFFFAOYSA-N -2 3 291.229 1.673 20 0 CDADHL O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000909923300 628776856 /nfs/dbraw/zinc/77/68/56/628776856.db2.gz LRAHCTIVMVMQEX-DTWKUNHWSA-N -2 3 267.256 1.258 20 0 CDADHL CC(C)(CO)O[N-]C(=O)CCc1ccccc1C(=O)[O-] ZINC000911815143 629508461 /nfs/dbraw/zinc/50/84/61/629508461.db2.gz UEJRSKQNNPXGFI-UHFFFAOYSA-N -2 3 281.308 1.136 20 0 CDADHL O=C([O-])c1ccc(CC(=O)[N-]OCC(F)(F)F)cc1 ZINC000911807375 629538592 /nfs/dbraw/zinc/53/85/92/629538592.db2.gz UTUBALAIQYUTEX-UHFFFAOYSA-N -2 3 277.198 1.537 20 0 CDADHL O=c1cc(CC2CC2)[n-]n1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001607039431 1164067606 /nfs/dbraw/zinc/06/76/06/1164067606.db2.gz HVCIWJBNWKKJEG-UHFFFAOYSA-N -2 3 296.334 1.755 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]CC[C@@H](C)F)oc1C(=O)[O-] ZINC001607707940 1164276016 /nfs/dbraw/zinc/27/60/16/1164276016.db2.gz XAQPJMRVDJXJCG-SSDOTTSWSA-N -2 3 279.289 1.313 20 0 CDADHL Cc1ccc(CC(=O)[N-]OCCCC(=O)[O-])cc1O ZINC001607769419 1164290158 /nfs/dbraw/zinc/29/01/58/1164290158.db2.gz SWINUXWCSSWPHG-UHFFFAOYSA-N -2 3 267.281 1.156 20 0 CDADHL O=C([O-])c1ccccc1CCC(=O)[N-]OC1CCOCC1 ZINC001608318221 1164489894 /nfs/dbraw/zinc/48/98/94/1164489894.db2.gz DYEYNAAQUMIMCW-UHFFFAOYSA-N -2 3 293.319 1.544 20 0 CDADHL Cc1[nH]nc(S(=O)(=O)[N-]C(C)(C)C(C)C)c1C(=O)[O-] ZINC001574182401 1170908354 /nfs/dbraw/zinc/90/83/54/1170908354.db2.gz NEAKPKROUSKQGX-UHFFFAOYSA-N -2 3 289.357 1.129 20 0 CDADHL Cc1nocc1S(=O)(=O)[N-][C@H](CC(C)(C)C)C(=O)[O-] ZINC001600818322 1174627181 /nfs/dbraw/zinc/62/71/81/1174627181.db2.gz LHTQXXHHSRYNOD-MRVPVSSYSA-N -2 3 290.341 1.151 20 0 CDADHL O=C([O-])C12CC(C(=O)Nc3nc(C(F)(F)F)n[n-]3)(C1)C2 ZINC001601729313 1174972091 /nfs/dbraw/zinc/97/20/91/1174972091.db2.gz CCYAATYBJSKCKI-UHFFFAOYSA-N -2 3 290.201 1.017 20 0 CDADHL O=C([O-])C12CC(C(=O)Nc3nnc(C(F)(F)F)[n-]3)(C1)C2 ZINC001601729313 1174972097 /nfs/dbraw/zinc/97/20/97/1174972097.db2.gz CCYAATYBJSKCKI-UHFFFAOYSA-N -2 3 290.201 1.017 20 0 CDADHL O=C([O-])c1ccc(CNC(=O)c2ccccc2[O-])nc1 ZINC001602344148 1175217095 /nfs/dbraw/zinc/21/70/95/1175217095.db2.gz RYRYHWPXWOPFAM-UHFFFAOYSA-N -2 3 272.260 1.415 20 0 CDADHL C[C@@](CNCc1ncc(Cl)s1)(CC(=O)[O-])C(=O)[O-] ZINC001771912685 1186950531 /nfs/dbraw/zinc/95/05/31/1186950531.db2.gz USFXOIBYYRVWAB-JTQLQIEISA-N -2 3 292.744 1.452 20 0 CDADHL O=C(NCc1ccc([O-])c(F)c1)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000874392768 739423124 /nfs/dbraw/zinc/42/31/24/739423124.db2.gz AXYIXRFLAAQVSH-KYZUINATSA-N -2 3 282.271 1.194 20 0 CDADHL O=C([O-])CCCNC(=O)c1cc([O-])ccc1Cl ZINC000236423979 739604445 /nfs/dbraw/zinc/60/44/45/739604445.db2.gz ZROMMGBJOHXELM-UHFFFAOYSA-N -2 3 257.673 1.640 20 0 CDADHL CCc1ccc([O-])c(C(=O)N(C)C[C@H](C)C(=O)[O-])c1 ZINC000263282114 739666547 /nfs/dbraw/zinc/66/65/47/739666547.db2.gz XKKYAPJMPZFOSK-VIFPVBQESA-N -2 3 265.309 1.747 20 0 CDADHL CC(C)(C[N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000137482204 742553259 /nfs/dbraw/zinc/55/32/59/742553259.db2.gz RUGYPJJBTBEXSU-UHFFFAOYSA-N -2 3 292.744 1.124 20 0 CDADHL C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000716509302 742776850 /nfs/dbraw/zinc/77/68/50/742776850.db2.gz OPWCXZGSNLPBML-IMSYWVGJSA-N -2 3 299.348 1.548 20 0 CDADHL O=C([O-])c1ccc(NC(=O)[N-]O[C@@H]2CCCCO2)cc1 ZINC001610699625 1165410334 /nfs/dbraw/zinc/41/03/34/1165410334.db2.gz GCQQMUTYQPCUSK-LLVKDONJSA-N -2 3 280.280 1.965 20 0 CDADHL COc1cccc2c1[C@H](OCCP(=O)([O-])[O-])CCO2 ZINC001224603929 909918428 /nfs/dbraw/zinc/91/84/28/909918428.db2.gz CRDJUAUMFNLXNS-LLVKDONJSA-N -2 3 288.236 1.713 20 0 CDADHL CC(C)([N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-])C1CC1 ZINC001180176372 916171208 /nfs/dbraw/zinc/17/12/08/916171208.db2.gz YMSWMQGPNLUTIX-UHFFFAOYSA-N -2 3 271.210 1.646 20 0 CDADHL CC(=O)c1cccc([O-])c1[N-]S(=O)(=O)C[C@H]1CCCO1 ZINC001193261296 923570985 /nfs/dbraw/zinc/57/09/85/923570985.db2.gz JCKFCTRBZSOOJX-SNVBAGLBSA-N -2 3 299.348 1.516 20 0 CDADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(F)c([O-])c1F ZINC001193792951 923891373 /nfs/dbraw/zinc/89/13/73/923891373.db2.gz HUJVNXYYSQVUNB-UHFFFAOYSA-N -2 3 297.261 1.380 20 0 CDADHL COc1ccc(S(=O)(=O)[N-]c2cncc([O-])c2)c(C)c1 ZINC001198904960 925575772 /nfs/dbraw/zinc/57/57/72/925575772.db2.gz GKZHOXIKGRGVLW-UHFFFAOYSA-N -2 3 294.332 1.905 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1ccc2c[nH]nc2c1 ZINC001149358331 937172664 /nfs/dbraw/zinc/17/26/64/937172664.db2.gz AWDPSSGBEQEUBW-UHFFFAOYSA-N -2 3 297.251 1.251 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1nccc2cc[nH]c21 ZINC001152255231 937348480 /nfs/dbraw/zinc/34/84/80/937348480.db2.gz LORAXHAXWADNAG-UHFFFAOYSA-N -2 3 297.251 1.251 20 0 CDADHL Cc1cc(NCCCc2c[n-][nH]c2=O)cnc1C(=O)[O-] ZINC001164394547 939470074 /nfs/dbraw/zinc/47/00/74/939470074.db2.gz GBCFOTAKPMLHCF-VIFPVBQESA-N -2 3 276.296 1.012 20 0 CDADHL O=C([O-])c1c(F)cc(Nc2cnc[n-]c2=O)cc1F ZINC001203321720 939682981 /nfs/dbraw/zinc/68/29/81/939682981.db2.gz IPFVPSKGEYOPTE-UHFFFAOYSA-N -2 3 267.191 1.902 20 0 CDADHL COc1cccc(OC[C@@H](C)OCCP(=O)([O-])[O-])c1 ZINC001224601706 941774780 /nfs/dbraw/zinc/77/47/80/941774780.db2.gz JUVYVFKMKKEKFF-SNVBAGLBSA-N -2 3 290.252 1.657 20 0 CDADHL COC(=O)c1ccc([C@H](C)OCCP(=O)([O-])[O-])cc1 ZINC001224607107 941775611 /nfs/dbraw/zinc/77/56/11/941775611.db2.gz TWOIZFGAZCFEFG-VIFPVBQESA-N -2 3 288.236 1.729 20 0 CDADHL COC(=O)c1ccc([C@@H](C)Oc2nc(=O)[n-]c(=O)[n-]2)cc1 ZINC001227568508 942189852 /nfs/dbraw/zinc/18/98/52/942189852.db2.gz NICQAEGAQHWWAR-SSDOTTSWSA-N -2 3 291.263 1.209 20 0 CDADHL O=c1nc2cn[n-]c2c(O[C@@H]2CC(F)(F)C2(F)F)[n-]1 ZINC001233944474 943696443 /nfs/dbraw/zinc/69/64/43/943696443.db2.gz NQLOPMVZESLAOV-SCSAIBSYSA-N -2 3 278.165 1.068 20 0 CDADHL O=C1[N-]S(=O)(=O)c2cc(-c3ccc(F)cc3[O-])ccc21 ZINC001242218921 946640899 /nfs/dbraw/zinc/64/08/99/946640899.db2.gz SUILBLBUPFBCRF-UHFFFAOYSA-N -2 3 293.275 1.630 20 0 CDADHL COc1cccc(C(=O)Nc2ccnc(C(=O)[O-])c2)c1[O-] ZINC000110965806 949222395 /nfs/dbraw/zinc/22/23/95/949222395.db2.gz HWHVKJVAIAWKLW-UHFFFAOYSA-N -2 3 288.259 1.746 20 0 CDADHL CCC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000233308506 960317333 /nfs/dbraw/zinc/31/73/33/960317333.db2.gz OKTPZPVSPVVDDL-HTQZYQBOSA-N -2 3 273.310 1.445 20 0 CDADHL Cc1cccc([C@@H](NCc2nc(C)cc(=O)[n-]2)C(=O)[O-])c1 ZINC001574395211 961208936 /nfs/dbraw/zinc/20/89/36/961208936.db2.gz WOEGZXRNZPZSQV-CQSZACIVSA-N -2 3 287.319 1.715 20 0 CDADHL CCc1ccc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC001573954575 961664527 /nfs/dbraw/zinc/66/45/27/961664527.db2.gz OZHYLPSKORZHCP-AOOOYVTPSA-N -2 3 263.293 1.548 20 0 CDADHL C[C@H]1CN(C(=O)c2c([O-])cccc2O)CC[C@@H]1C(=O)[O-] ZINC000379985206 968076155 /nfs/dbraw/zinc/07/61/55/968076155.db2.gz KOVRFRJBUCWTHZ-IUCAKERBSA-N -2 3 279.292 1.281 20 0 CDADHL Cc1cc(=O)[n-]c(CNC(=O)c2ccc([O-])c(Cl)c2)n1 ZINC001469724271 970268874 /nfs/dbraw/zinc/26/88/74/970268874.db2.gz KKPBNTNFRVOISZ-UHFFFAOYSA-N -2 3 293.710 1.780 20 0 CDADHL COc1cccc([O-])c1C(=O)N1CCC[C@](C)(C(=O)[O-])C1 ZINC000404583987 973734587 /nfs/dbraw/zinc/73/45/87/973734587.db2.gz AOPBQRBPTOOYAN-HNNXBMFYSA-N -2 3 293.319 1.728 20 0 CDADHL CCC[C@@H](NC(=O)c1c([O-])cccc1OC)C(=O)[O-] ZINC000404613873 973737301 /nfs/dbraw/zinc/73/73/01/973737301.db2.gz HILZZVCHSYJCMO-MRVPVSSYSA-N -2 3 267.281 1.384 20 0 CDADHL O=C([O-])[C@H]1CC12CCN(C(=O)c1c([O-])cccc1O)CC2 ZINC000405402573 973868202 /nfs/dbraw/zinc/86/82/02/973868202.db2.gz SINGVQCTWQXKFD-SECBINFHSA-N -2 3 291.303 1.425 20 0 CDADHL CC[C@H]1C[C@@H](CC(=O)[N-]OCCCC(=O)[O-])CCO1 ZINC001595412323 981010182 /nfs/dbraw/zinc/01/01/82/981010182.db2.gz CLOIYPQFTAMUGB-QWRGUYRKSA-N -2 3 273.329 1.494 20 0 CDADHL CCCN(C(=O)c1cc2c(cc1[O-])OCO2)[C@@H](C)C(=O)[O-] ZINC001595828001 982714717 /nfs/dbraw/zinc/71/47/17/982714717.db2.gz XHKQKCRVXRYUQW-QMMMGPOBSA-N -2 3 295.291 1.446 20 0 CDADHL CC(=O)Nc1ccc([O-])c(C(=O)N(C)C[C@@H](C)C(=O)[O-])c1 ZINC001589199419 985631538 /nfs/dbraw/zinc/63/15/38/985631538.db2.gz KLFXUISSBLVYOO-MRVPVSSYSA-N -2 3 294.307 1.143 20 0 CDADHL CCOCc1nnc([N-]Cc2cc(C(=O)[O-])co2)o1 ZINC001596957834 986143230 /nfs/dbraw/zinc/14/32/30/986143230.db2.gz BYSIFFIJMLAGFD-UHFFFAOYSA-N -2 3 267.241 1.509 20 0 CDADHL CCc1ccc(C(=O)N(OC)[C@@H](C)CC(=O)[O-])c([O-])c1 ZINC001597498364 988044229 /nfs/dbraw/zinc/04/42/29/988044229.db2.gz ALFAUSUVUCVSDS-VIFPVBQESA-N -2 3 281.308 1.821 20 0 CDADHL CC(C)(CCNC(=O)c1cc(F)cc2n[n-]nc21)C(=O)[O-] ZINC001590679324 990389623 /nfs/dbraw/zinc/38/96/23/990389623.db2.gz PYSLWBPZTNKCBJ-UHFFFAOYSA-N -2 3 294.286 1.328 20 0 CDADHL CC[C@](COC)(NC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC001605048710 1163431820 /nfs/dbraw/zinc/43/18/20/1163431820.db2.gz IWIGRDMADVVZAZ-CQSZACIVSA-N -2 3 299.298 1.070 20 0 CDADHL COC(=O)c1[n-]cnc1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001573948815 1170837855 /nfs/dbraw/zinc/83/78/55/1170837855.db2.gz VUXKUHLDSMYDQO-UHFFFAOYSA-N -2 3 289.247 1.147 20 0 CDADHL COC(=O)c1nc[n-]c1NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001573948815 1170837863 /nfs/dbraw/zinc/83/78/63/1170837863.db2.gz VUXKUHLDSMYDQO-UHFFFAOYSA-N -2 3 289.247 1.147 20 0 CDADHL O=C([O-])CC1([N-]S(=O)(=O)c2cccs2)CCC1 ZINC000094291154 342063652 /nfs/dbraw/zinc/06/36/52/342063652.db2.gz FBWJQXLUBCERLL-UHFFFAOYSA-N -2 3 275.351 1.424 20 0 CDADHL CC1CC(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000622039758 350947268 /nfs/dbraw/zinc/94/72/68/350947268.db2.gz RNJBGIBVEZUFTK-UHFFFAOYSA-N -2 3 273.310 1.302 20 0 CDADHL C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C1CCCC1 ZINC000070306389 412596738 /nfs/dbraw/zinc/59/67/38/412596738.db2.gz KPIGUVUEJVLHQN-QMMMGPOBSA-N -2 3 287.337 1.835 20 0 CDADHL CCC(CC)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000013306531 356342706 /nfs/dbraw/zinc/34/27/06/356342706.db2.gz YEHRXDLYEIIPDJ-UHFFFAOYSA-N -2 3 277.367 1.913 20 0 CDADHL Cc1cccc([O-])c1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000628032313 356395633 /nfs/dbraw/zinc/39/56/33/356395633.db2.gz VMCMAOUIHBKQSX-LBPRGKRZSA-N -2 3 287.319 1.949 20 0 CDADHL CC(C)n1c(CNC(=O)c2ncccc2[O-])n[n-]c1=S ZINC000066650081 357576381 /nfs/dbraw/zinc/57/63/81/357576381.db2.gz XRUWBWTTYMWVAU-UHFFFAOYSA-N -2 3 293.352 1.552 20 0 CDADHL CCC[C@@H](NC(=O)c1ccc(C)cc1[O-])c1nnn[n-]1 ZINC000092424826 358548375 /nfs/dbraw/zinc/54/83/75/358548375.db2.gz QFKQQHXDPWLSAF-SNVBAGLBSA-N -2 3 275.312 1.485 20 0 CDADHL CCC[C@@H](NC(=O)c1ccc(C)cc1[O-])c1nn[n-]n1 ZINC000092424826 358548376 /nfs/dbraw/zinc/54/83/76/358548376.db2.gz QFKQQHXDPWLSAF-SNVBAGLBSA-N -2 3 275.312 1.485 20 0 CDADHL O=C([O-])[C@]12CCC[C@H]1CN(C(=O)c1ccccc1[O-])C2 ZINC000294946852 199265041 /nfs/dbraw/zinc/26/50/41/199265041.db2.gz FEWNVNMOOBDRDW-BONVTDFDSA-N -2 3 275.304 1.719 20 0 CDADHL O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000634816461 358812861 /nfs/dbraw/zinc/81/28/61/358812861.db2.gz QWYCUONNYGYPQM-BQBZGAKWSA-N -2 3 255.657 1.705 20 0 CDADHL COc1ccc([O-])c(C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])c1 ZINC000132572191 361249856 /nfs/dbraw/zinc/24/98/56/361249856.db2.gz FMYALXYCCVCGQI-SFYZADRCSA-N -2 3 267.281 1.240 20 0 CDADHL CC(C)Sc1nc([N-]S(=O)(=O)CCC2CC2)n[n-]1 ZINC000352853690 364053517 /nfs/dbraw/zinc/05/35/17/364053517.db2.gz LYZBKWRRAMSNCW-UHFFFAOYSA-N -2 3 290.414 1.847 20 0 CDADHL COCCOCCS(=O)(=O)[N-]c1cc(C)ccc1[O-] ZINC000269970938 364404327 /nfs/dbraw/zinc/40/43/27/364404327.db2.gz OKJXPBVWSOOLHS-UHFFFAOYSA-N -2 3 289.353 1.105 20 0 CDADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1cscn1)C(=O)[O-] ZINC000564984087 370317267 /nfs/dbraw/zinc/31/72/67/370317267.db2.gz NWRJIXMFLYSHLJ-MRVPVSSYSA-N -2 3 292.382 1.168 20 0 CDADHL COc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000263109309 370507586 /nfs/dbraw/zinc/50/75/86/370507586.db2.gz BPEHUHCPEMJMHI-ZJUUUORDSA-N -2 3 293.319 1.584 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CCC[C@H]2CC(=O)[O-])n1 ZINC000578369732 372426906 /nfs/dbraw/zinc/42/69/06/372426906.db2.gz YEYIZWDKLUZBLW-JTQLQIEISA-N -2 3 265.313 1.184 20 0 CDADHL Cc1nnc(NN=Cc2cc(Cl)ccc2[O-])[n-]c1=O ZINC000254479761 374971626 /nfs/dbraw/zinc/97/16/26/374971626.db2.gz LVXVSLKONBCSON-UHFFFAOYSA-N -2 3 279.687 1.691 20 0 CDADHL C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000164882870 292854478 /nfs/dbraw/zinc/85/44/78/292854478.db2.gz URJOMZOGIOXGKR-RQJHMYQMSA-N -2 3 263.340 1.136 20 0 CDADHL C[C@@]1(C(=O)N=c2ccc([O-])n[n-]2)CCc2ccccc21 ZINC000648359372 391809902 /nfs/dbraw/zinc/80/99/02/391809902.db2.gz DMDMOYQTICJFEB-OAHLLOKOSA-N -2 3 269.304 1.447 20 0 CDADHL Cc1ccc(C(=O)NC2(C(=O)[O-])CCSCC2)c([O-])c1 ZINC000262858679 131268931 /nfs/dbraw/zinc/26/89/31/131268931.db2.gz YSHMOAFGIUXSKM-UHFFFAOYSA-N -2 3 295.360 1.781 20 0 CDADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)C(C)C ZINC000645958381 393434239 /nfs/dbraw/zinc/43/42/39/393434239.db2.gz SZUBIUKKOGPVIZ-JTQLQIEISA-N -2 3 289.353 1.999 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@H](CCF)C(=O)[O-])c(F)c1 ZINC000656163470 413064594 /nfs/dbraw/zinc/06/45/94/413064594.db2.gz YZEJSRUPEZVJAR-SECBINFHSA-N -2 3 293.291 1.225 20 0 CDADHL CCCC[C@H](NC(=O)c1ccc(OC)cc1[O-])C(=O)[O-] ZINC000035410483 172181639 /nfs/dbraw/zinc/18/16/39/172181639.db2.gz ISDBPTOLDCKOAS-NSHDSACASA-N -2 3 281.308 1.774 20 0 CDADHL Cc1ccsc1S(=O)(=O)[N-][C@](C)(CCF)C(=O)[O-] ZINC000656723017 413607990 /nfs/dbraw/zinc/60/79/90/413607990.db2.gz DMECBLCWANDBBE-SNVBAGLBSA-N -2 3 295.357 1.538 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]CC2CC=CC2)c1 ZINC000530151018 271117330 /nfs/dbraw/zinc/11/73/30/271117330.db2.gz LLEBLPVZAYBEIC-UHFFFAOYSA-N -2 3 271.294 1.222 20 0 CDADHL C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1ccco1 ZINC000574973288 295082048 /nfs/dbraw/zinc/08/20/48/295082048.db2.gz DZXVOKBXVLBFDN-BXKDBHETSA-N -2 3 287.337 1.591 20 0 CDADHL Cc1ccc([N-]S(=O)(=O)CCOCC2CC2)c([O-])c1 ZINC000575038658 295089781 /nfs/dbraw/zinc/08/97/81/295089781.db2.gz AEEGPGCVBSBTRG-UHFFFAOYSA-N -2 3 285.365 1.869 20 0 CDADHL Cc1ccc([O-])c(C(=O)N(C)Cc2n[n-]c(=O)o2)c1 ZINC000673477996 482752078 /nfs/dbraw/zinc/75/20/78/482752078.db2.gz JKWAFRFCFDDTCX-UHFFFAOYSA-N -2 3 263.253 1.061 20 0 CDADHL Cc1cc(CSCCc2nnn[n-]2)oc1C(=O)[O-] ZINC001600215750 1174413893 /nfs/dbraw/zinc/41/38/93/1174413893.db2.gz KLUXQXKIXALZRB-UHFFFAOYSA-N -2 3 268.298 1.275 20 0 CDADHL Cc1cc(CSCCc2nn[n-]n2)oc1C(=O)[O-] ZINC001600215750 1174413898 /nfs/dbraw/zinc/41/38/98/1174413898.db2.gz KLUXQXKIXALZRB-UHFFFAOYSA-N -2 3 268.298 1.275 20 0 CDADHL COc1ccc([O-])c(C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC000261637815 536818411 /nfs/dbraw/zinc/81/84/11/536818411.db2.gz IKCUCAAZPHNUCE-ONGXEEELSA-N -2 3 293.319 1.584 20 0 CDADHL Cc1ccc(C[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)o1 ZINC001600417890 1174469770 /nfs/dbraw/zinc/46/97/70/1174469770.db2.gz JFBTXUOCLSYWJG-UHFFFAOYSA-N -2 3 299.304 1.666 20 0 CDADHL O=C([O-])NCCCc1nc(-c2ccc([O-])cc2)no1 ZINC000739972198 574512046 /nfs/dbraw/zinc/51/20/46/574512046.db2.gz JBXBBMVHJBKORF-UHFFFAOYSA-N -2 3 263.253 1.642 20 0 CDADHL CC(C)(C)c1nc(=S)n(CN2CCC(C(=O)[O-])CC2)[n-]1 ZINC000738727612 576105849 /nfs/dbraw/zinc/10/58/49/576105849.db2.gz HNXLZYYXAWUDFE-UHFFFAOYSA-N -2 3 298.412 1.992 20 0 CDADHL O=C([O-])Cc1nc([N-]C(=O)c2cnc(C3CC3)s2)n[nH]1 ZINC000739900111 576395886 /nfs/dbraw/zinc/39/58/86/576395886.db2.gz ZWEURWIONZLEJK-UHFFFAOYSA-N -2 3 293.308 1.018 20 0 CDADHL O=C([O-])c1cccc(COC(=O)c2cncc([O-])c2)c1 ZINC000740226245 576445596 /nfs/dbraw/zinc/44/55/96/576445596.db2.gz GKRRKIVWTABDGQ-UHFFFAOYSA-N -2 3 273.244 1.842 20 0 CDADHL C[C@@H](C(=O)[O-])N(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000054052066 597467385 /nfs/dbraw/zinc/46/73/85/597467385.db2.gz HZGRTBQEJGSNRB-QMMMGPOBSA-N -2 3 274.276 1.073 20 0 CDADHL O=C([O-])[C@H]1CCCCN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC000821509082 598148958 /nfs/dbraw/zinc/14/89/58/598148958.db2.gz WTGVSNGKXDIFMS-SECBINFHSA-N -2 3 293.275 1.200 20 0 CDADHL CCC(CC)(NC(=O)Cc1c(C)nc(C)[n-]c1=O)C(=O)[O-] ZINC000828835188 600929111 /nfs/dbraw/zinc/92/91/11/600929111.db2.gz PEBVMSLJZOHBFQ-UHFFFAOYSA-N -2 3 295.339 1.101 20 0 CDADHL Cc1ccc(C(=O)NC2(CC(=O)[O-])CCC2)c([O-])c1 ZINC000094290280 601452526 /nfs/dbraw/zinc/45/25/26/601452526.db2.gz CDBSDECMRXYYLK-UHFFFAOYSA-N -2 3 263.293 1.828 20 0 CDADHL O=C([O-])CCc1csc([N-]C(=O)c2cccc[n+]2[O-])n1 ZINC000833243906 604731719 /nfs/dbraw/zinc/73/17/19/604731719.db2.gz NPAKBOVJCYLNME-UHFFFAOYSA-N -2 3 293.304 1.046 20 0 CDADHL COC[C@@](C)(CC(=O)[O-])NC(=O)Cc1ccc([O-])c(F)c1 ZINC000909376625 618010414 /nfs/dbraw/zinc/01/04/14/618010414.db2.gz PPLZZFUQOSMCLW-CQSZACIVSA-N -2 3 299.298 1.070 20 0 CDADHL O=C([O-])C1(CNC(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000909642515 620537316 /nfs/dbraw/zinc/53/73/16/620537316.db2.gz SVJNPKKTNOYSBP-UHFFFAOYSA-N -2 3 267.256 1.055 20 0 CDADHL CC(C)(CCNC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909749146 628663153 /nfs/dbraw/zinc/66/31/53/628663153.db2.gz RKDOGJRXSKDNDB-UHFFFAOYSA-N -2 3 283.299 1.691 20 0 CDADHL O=C([O-])[C@H]1CCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC001608639391 1164585411 /nfs/dbraw/zinc/58/54/11/1164585411.db2.gz YDPYBCUPYGLCIM-SECBINFHSA-N -2 3 289.209 1.710 20 0 CDADHL O=C([O-])c1coc(CN2CCC[C@H](c3n[n-]c(=O)o3)C2)c1 ZINC001608987890 1164710286 /nfs/dbraw/zinc/71/02/86/1164710286.db2.gz YACPRRLDAUBEML-QMMMGPOBSA-N -2 3 293.279 1.446 20 0 CDADHL Cc1ccc([O-])c(NC(=O)c2c[nH]c(C(=O)[O-])c2)n1 ZINC001610510000 1165334861 /nfs/dbraw/zinc/33/48/61/1165334861.db2.gz TUEWNXSAQAUFPP-UHFFFAOYSA-N -2 3 261.237 1.374 20 0 CDADHL O=C(Cc1ccco1)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001582156282 1172657260 /nfs/dbraw/zinc/65/72/60/1172657260.db2.gz VJDRSFOYNJFFSQ-UHFFFAOYSA-N -2 3 285.263 1.112 20 0 CDADHL O=C(Cc1ccco1)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001582156282 1172657266 /nfs/dbraw/zinc/65/72/66/1172657266.db2.gz VJDRSFOYNJFFSQ-UHFFFAOYSA-N -2 3 285.263 1.112 20 0 CDADHL C[C@H]1CC[C@@H](C(=O)[O-])CN1c1ccc(-c2nn[n-]n2)cc1 ZINC001590226662 1173305333 /nfs/dbraw/zinc/30/53/33/1173305333.db2.gz RPPHLVWUMSKANZ-GXSJLCMTSA-N -2 3 287.323 1.556 20 0 CDADHL O=C([O-])[C@H](CNc1cc(-c2nnn[n-]2)ccn1)C1CCC1 ZINC001593276100 1174045146 /nfs/dbraw/zinc/04/51/46/1174045146.db2.gz LIUFXKAVUHZNDG-SNVBAGLBSA-N -2 3 288.311 1.175 20 0 CDADHL O=C([O-])[C@H](CNc1cc(-c2nn[n-]n2)ccn1)C1CCC1 ZINC001593276100 1174045150 /nfs/dbraw/zinc/04/51/50/1174045150.db2.gz LIUFXKAVUHZNDG-SNVBAGLBSA-N -2 3 288.311 1.175 20 0 CDADHL O=c1[n-]c(SCc2cc(F)ccc2-c2nnn[n-]2)n[nH]1 ZINC001593542103 1174112589 /nfs/dbraw/zinc/11/25/89/1174112589.db2.gz XUJZXSBBUXNALL-UHFFFAOYSA-N -2 3 293.287 1.122 20 0 CDADHL O=c1[n-]c(SCc2cc(F)ccc2-c2nn[n-]n2)n[nH]1 ZINC001593542103 1174112593 /nfs/dbraw/zinc/11/25/93/1174112593.db2.gz XUJZXSBBUXNALL-UHFFFAOYSA-N -2 3 293.287 1.122 20 0 CDADHL Cc1c(C(=O)[O-])cc(C[N-]c2nnc(C(F)F)o2)n1C ZINC001599998210 1174336914 /nfs/dbraw/zinc/33/69/14/1174336914.db2.gz NALNADQUUMBIIU-UHFFFAOYSA-N -2 3 286.238 1.964 20 0 CDADHL Cc1nc(C(=O)[N-]c2nc(C(=O)[O-])ns2)c(C)o1 ZINC001600684588 1174561188 /nfs/dbraw/zinc/56/11/88/1174561188.db2.gz LXYDZDQNYZABHV-UHFFFAOYSA-N -2 3 268.254 1.093 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]Cc1ccsc1 ZINC001602487584 1175259147 /nfs/dbraw/zinc/25/91/47/1175259147.db2.gz BTUFGTADUMCPIX-UHFFFAOYSA-N -2 3 287.318 1.518 20 0 CDADHL Cc1nc(-c2nnn[n-]2)c(-n2[n-]c(C)c(C(C)C)c2=O)o1 ZINC001603825781 1175645542 /nfs/dbraw/zinc/64/55/42/1175645542.db2.gz DNXFCOUNHSUFLQ-MRVPVSSYSA-N -2 3 289.299 1.158 20 0 CDADHL CC(C)N(CC(=O)[O-])Cc1nnc(-c2ccccc2[O-])o1 ZINC001603875070 1175664011 /nfs/dbraw/zinc/66/40/11/1175664011.db2.gz OONYOIDGFLUPHE-UHFFFAOYSA-N -2 3 291.307 1.737 20 0 CDADHL CC[C@@H](C)CO[N-]C(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC000820279152 747784438 /nfs/dbraw/zinc/78/44/38/747784438.db2.gz JIAANSAVOBBLIH-LLVKDONJSA-N -2 3 283.372 1.469 20 0 CDADHL C[C@@H]1SCC[C@H]1[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871995035 748427465 /nfs/dbraw/zinc/42/74/65/748427465.db2.gz HJELVQKMERCMFW-POYBYMJQSA-N -2 3 291.350 1.150 20 0 CDADHL CC[C@@H](C(=O)[O-])N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000095273567 1166615686 /nfs/dbraw/zinc/61/56/86/1166615686.db2.gz WGFNYJFHZWCANH-VIFPVBQESA-N -2 3 279.275 1.305 20 0 CDADHL Cc1cc(C)c(-c2nn[n-]n2)c(NCCCC(=O)[O-])n1 ZINC000095331531 1166622910 /nfs/dbraw/zinc/62/29/10/1166622910.db2.gz KALJGRQBERJMMW-UHFFFAOYSA-N -2 3 276.300 1.155 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)Cc1cccc(Cl)c1F ZINC001601995363 1167814576 /nfs/dbraw/zinc/81/45/76/1167814576.db2.gz RDGFIQPQGBDMDN-UHFFFAOYSA-N -2 3 289.690 1.934 20 0 CDADHL Cn1ccnc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176237619 914002702 /nfs/dbraw/zinc/00/27/02/914002702.db2.gz XYGLZONREJXNDS-UHFFFAOYSA-N -2 3 261.237 1.560 20 0 CDADHL Cc1ncc(Nc2csc(C(=O)[O-])c2)c(=O)[n-]1 ZINC001176436975 914101622 /nfs/dbraw/zinc/10/16/22/914101622.db2.gz QETHTPCFDGBCOE-UHFFFAOYSA-N -2 3 251.267 1.994 20 0 CDADHL C[C@@H](CC(=O)NCCCCP(=O)([O-])[O-])C(F)(F)F ZINC001180091211 916131889 /nfs/dbraw/zinc/13/18/89/916131889.db2.gz RWHOCNATDDPIDW-ZETCQYMHSA-N -2 3 291.206 1.649 20 0 CDADHL CC(C)[C@@H](C)C(=O)NCCCCP(=O)([O-])[O-] ZINC001181508515 917112521 /nfs/dbraw/zinc/11/25/21/917112521.db2.gz AGWKQVIDRHGQDQ-SECBINFHSA-N -2 3 251.263 1.353 20 0 CDADHL CO[C@@H](C)CO[C@@H](C)COCCCCP(=O)([O-])[O-] ZINC001225020546 941815009 /nfs/dbraw/zinc/81/50/09/941815009.db2.gz PMHVVQLTPHQETI-QWRGUYRKSA-N -2 3 284.289 1.401 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])Nc1ccccn1 ZINC001191358973 922497826 /nfs/dbraw/zinc/49/78/26/922497826.db2.gz OAEWQGFVGOKRPM-UHFFFAOYSA-N -2 3 273.229 1.161 20 0 CDADHL Cn1[n-]c(C(=O)Nc2cc(=O)n(-c3ccccc3)[n-]2)cc1=O ZINC001194188692 924110203 /nfs/dbraw/zinc/11/02/03/924110203.db2.gz DBIHDTBZDAPFLF-UHFFFAOYSA-N -2 3 299.290 1.269 20 0 CDADHL CC[C@@H](C)OC(=O)NCCCCP(=O)([O-])[O-] ZINC001195145985 924485994 /nfs/dbraw/zinc/48/59/94/924485994.db2.gz FGEMPVFEHWJXOI-MRVPVSSYSA-N -2 3 253.235 1.469 20 0 CDADHL C[C@@H](CN(C)C(=O)c1c(F)ccc([O-])c1F)c1nnn[n-]1 ZINC001412790802 934359678 /nfs/dbraw/zinc/35/96/78/934359678.db2.gz DECOYIPBQDDZEA-LURJTMIESA-N -2 3 297.265 1.059 20 0 CDADHL C[C@@H](CN(C)C(=O)c1c(F)ccc([O-])c1F)c1nn[n-]n1 ZINC001412790802 934359687 /nfs/dbraw/zinc/35/96/87/934359687.db2.gz DECOYIPBQDDZEA-LURJTMIESA-N -2 3 297.265 1.059 20 0 CDADHL O=C([O-])Cc1ccc(F)c(Nc2cc(=O)[n-]c(=S)[nH]2)c1 ZINC001216677045 940958596 /nfs/dbraw/zinc/95/85/96/940958596.db2.gz FYQOOLQZEDHFEM-UHFFFAOYSA-N -2 3 295.295 1.981 20 0 CDADHL CCC(=O)[C@H](CC)OCCCCP(=O)([O-])[O-] ZINC001225019481 941814664 /nfs/dbraw/zinc/81/46/64/941814664.db2.gz XFBUACFRZWPKDB-JTQLQIEISA-N -2 3 252.247 1.719 20 0 CDADHL Cc1cccc2c1CC[C@H]2Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227566607 942189986 /nfs/dbraw/zinc/18/99/86/942189986.db2.gz IVEJXAWSQURIRA-SNVBAGLBSA-N -2 3 259.265 1.658 20 0 CDADHL O=c1nc(O[C@H]2C[C@@H](OCc3ccccc3)C2)[n-]c(=O)[n-]1 ZINC001227570471 942190501 /nfs/dbraw/zinc/19/05/01/942190501.db2.gz LIJTYBOGUADDPL-PHIMTYICSA-N -2 3 289.291 1.409 20 0 CDADHL C[C@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1cccs1 ZINC001233934668 943693562 /nfs/dbraw/zinc/69/35/62/943693562.db2.gz OBFDYOYIUKYEQA-LURJTMIESA-N -2 3 262.294 1.848 20 0 CDADHL CCn1cc(S(=O)(=O)[N-]c2ccc(F)c([O-])c2)cn1 ZINC001259837954 945661419 /nfs/dbraw/zinc/66/14/19/945661419.db2.gz PAAINIQPORQBPK-UHFFFAOYSA-N -2 3 285.300 1.549 20 0 CDADHL O=S(=O)([N-]c1nc2c(cccc2[O-])s1)C(F)F ZINC001259949584 945736931 /nfs/dbraw/zinc/73/69/31/945736931.db2.gz YIHMTCFBTDGTOF-UHFFFAOYSA-N -2 3 280.277 1.966 20 0 CDADHL CCOc1nc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)n[n-]1 ZINC000380253352 971687266 /nfs/dbraw/zinc/68/72/66/971687266.db2.gz OGFCXUJMAMJTKT-YUMQZZPRSA-N -2 3 282.300 1.033 20 0 CDADHL CCOc1n[n-]c(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)n1 ZINC000380253352 971687269 /nfs/dbraw/zinc/68/72/69/971687269.db2.gz OGFCXUJMAMJTKT-YUMQZZPRSA-N -2 3 282.300 1.033 20 0 CDADHL COC(=O)c1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)[n-]1 ZINC001593876894 955683086 /nfs/dbraw/zinc/68/30/86/955683086.db2.gz MOHBERLXDNSANA-UHFFFAOYSA-N -2 3 288.259 1.752 20 0 CDADHL CC(C)(C)O[N-]C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001331389884 957013904 /nfs/dbraw/zinc/01/39/04/957013904.db2.gz ZURIVAGFEANZPN-UHFFFAOYSA-N -2 3 251.286 1.520 20 0 CDADHL COc1cccc(-c2nc(C3(C(=O)[O-])CCC3)no2)c1[O-] ZINC001594120031 958591745 /nfs/dbraw/zinc/59/17/45/958591745.db2.gz OWSSJPPUMJAFQZ-UHFFFAOYSA-N -2 3 290.275 1.957 20 0 CDADHL CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC000202348857 959641830 /nfs/dbraw/zinc/64/18/30/959641830.db2.gz XDSLQLPXNYBHMW-UHFFFAOYSA-N -2 3 281.692 1.476 20 0 CDADHL O=C([O-])c1coc(C[N-]C(=O)C(F)(F)c2ccccc2)n1 ZINC001571057433 960739194 /nfs/dbraw/zinc/73/91/94/960739194.db2.gz BVXICCVMXKBPCE-UHFFFAOYSA-N -2 3 296.229 1.781 20 0 CDADHL Cc1cc(=O)[n-]c(CNC(=O)c2ccc([O-])c(F)c2)n1 ZINC001434145344 961026889 /nfs/dbraw/zinc/02/68/89/961026889.db2.gz DQKYUZRLDURXDE-UHFFFAOYSA-N -2 3 277.255 1.265 20 0 CDADHL O=C([O-])C[C@H](CNC(=O)c1ccccc1[O-])C1CC1 ZINC000690494551 976307875 /nfs/dbraw/zinc/30/78/75/976307875.db2.gz MUKITNKSRONADW-SNVBAGLBSA-N -2 3 263.293 1.623 20 0 CDADHL C/C(=C/C[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000692468635 976494566 /nfs/dbraw/zinc/49/45/66/976494566.db2.gz DSMHJSBCXIUHHA-XQRVVYSFSA-N -2 3 295.769 1.711 20 0 CDADHL CO[C@]1(C(=O)[O-])CCN(C(=O)c2c(C)cccc2[O-])C1 ZINC000706577244 977355140 /nfs/dbraw/zinc/35/51/40/977355140.db2.gz OLHXEBMGHLWOJV-CQSZACIVSA-N -2 3 279.292 1.016 20 0 CDADHL Cc1cccc([O-])c1C(=O)NC[C@@H](CC1CC1)C(=O)[O-] ZINC000706612174 977357284 /nfs/dbraw/zinc/35/72/84/977357284.db2.gz YFVSRLMGKAGULB-LLVKDONJSA-N -2 3 277.320 1.931 20 0 CDADHL CCC(CC)(C(=O)[O-])C(=O)COC(=O)c1cncc([O-])c1 ZINC001595045368 979252047 /nfs/dbraw/zinc/25/20/47/979252047.db2.gz KTOSYIGZMVMXNW-UHFFFAOYSA-N -2 3 295.291 1.404 20 0 CDADHL CC[C@](C)(NC(=O)c1cc(=O)[n-]c(C2CC2)n1)C(=O)[O-] ZINC001594842631 982064870 /nfs/dbraw/zinc/06/48/70/982064870.db2.gz SOYUGEZCZWXKSF-ZDUSSCGKSA-N -2 3 279.296 1.043 20 0 CDADHL CSc1ccc([O-])c(C(=O)N2CC[C@@H]2C(=O)[O-])c1 ZINC001599820000 988496083 /nfs/dbraw/zinc/49/60/83/988496083.db2.gz MRNMJGKCGYTYKQ-SECBINFHSA-N -2 3 267.306 1.413 20 0 CDADHL COc1cnc([C@H]2CCCN2C/C(C)=C\C(=O)[O-])[n-]c1=O ZINC001599725015 991605281 /nfs/dbraw/zinc/60/52/81/991605281.db2.gz RGPOKFBACHPLPK-ABRRARGCSA-N -2 3 293.323 1.359 20 0 CDADHL CC[C@@H](C)[C@H](OC(=O)Cc1c(C)nc(C)[n-]c1=O)C(=O)[O-] ZINC001604948282 1163394222 /nfs/dbraw/zinc/39/42/22/1163394222.db2.gz VVJLNJRUMMVZRQ-KRTXAFLBSA-N -2 3 296.323 1.384 20 0 CDADHL COc1ccc(C(=O)NCc2ocnc2C(=O)[O-])c([O-])c1 ZINC001599485067 996834484 /nfs/dbraw/zinc/83/44/84/996834484.db2.gz UQPMGYWWAXPCJL-UHFFFAOYSA-N -2 3 292.247 1.017 20 0 CDADHL COC(=O)c1cc(C(=O)O[C@H]2CCCC[C@@H]2C(=O)[O-])c[n-]1 ZINC001598926259 997654147 /nfs/dbraw/zinc/65/41/47/997654147.db2.gz JSBHZWAFDXAJKB-ONGXEEELSA-N -2 3 295.291 1.602 20 0 CDADHL COC(=O)c1[n-]c(=N[C@@H]2CC[C@H](C(=O)[O-])C2)sc1C ZINC000592421383 342689868 /nfs/dbraw/zinc/68/98/68/342689868.db2.gz SKWZFGKFYSLTAS-JGVFFNPUSA-N -2 3 284.337 1.325 20 0 CDADHL COCC1(S(=O)(=O)[N-]c2cc(C)ccc2[O-])CC1 ZINC000641684642 365723613 /nfs/dbraw/zinc/72/36/13/365723613.db2.gz SEBKVPFVMRQJEV-UHFFFAOYSA-N -2 3 271.338 1.621 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C2CCCC2)c(F)c1 ZINC000092114014 180327179 /nfs/dbraw/zinc/32/71/79/180327179.db2.gz GETFRSKWQIKBRN-UHFFFAOYSA-N -2 3 287.312 1.745 20 0 CDADHL CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000084147075 356526439 /nfs/dbraw/zinc/52/64/39/356526439.db2.gz MDZJRVXCLMDUCG-UHFFFAOYSA-N -2 3 297.785 1.933 20 0 CDADHL Cc1ccc(C(=O)N2CCC[C@@]2(C)C(=O)[O-])c([O-])c1 ZINC000079477586 358071667 /nfs/dbraw/zinc/07/16/67/358071667.db2.gz QKSATRBXXUMILM-AWEZNQCLSA-N -2 3 263.293 1.780 20 0 CDADHL O=C([O-])CCC[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000036965452 359022500 /nfs/dbraw/zinc/02/25/00/359022500.db2.gz BRPMCTCHRZLKCX-UHFFFAOYSA-N -2 3 279.264 1.108 20 0 CDADHL Cc1ccc(NC(=O)[C@H](C)O[C@@H](C)C(=O)[O-])c([O-])c1 ZINC000421804170 359433714 /nfs/dbraw/zinc/43/37/14/359433714.db2.gz JHNMGULMMYHRFY-IUCAKERBSA-N -2 3 267.281 1.517 20 0 CDADHL Cc1ncc(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-])s1 ZINC000230275968 360280489 /nfs/dbraw/zinc/28/04/89/360280489.db2.gz LDVMNJPUHXRCNK-MRVPVSSYSA-N -2 3 292.382 1.229 20 0 CDADHL Cc1csc(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])c1 ZINC000457349366 364007444 /nfs/dbraw/zinc/00/74/44/364007444.db2.gz IWDSMMIWTYWEJP-SSDOTTSWSA-N -2 3 263.340 1.198 20 0 CDADHL CCC[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000034972473 364384012 /nfs/dbraw/zinc/38/40/12/364384012.db2.gz NPEIGSBEYKWKPW-SSDOTTSWSA-N -2 3 261.299 1.445 20 0 CDADHL CC(C)CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000034972482 364385845 /nfs/dbraw/zinc/38/58/45/364385845.db2.gz BUEHKDARRNMSCV-UHFFFAOYSA-N -2 3 261.299 1.302 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)CC(=O)[O-])c(F)cc1F ZINC000270521906 364637123 /nfs/dbraw/zinc/63/71/23/364637123.db2.gz RWZGWHHWKHTFEX-ZETCQYMHSA-N -2 3 293.291 1.415 20 0 CDADHL O=C([O-])c1ccc(C(=O)Nc2ncccc2[O-])nc1 ZINC000642219847 366923161 /nfs/dbraw/zinc/92/31/61/366923161.db2.gz KXVDSIAQCUWIIT-UHFFFAOYSA-N -2 3 259.221 1.133 20 0 CDADHL CN(C)c1nc(C(=O)Nc2ccccc2[O-])cc(=O)[n-]1 ZINC000361594827 368923593 /nfs/dbraw/zinc/92/35/93/368923593.db2.gz LGDULRREMVQLMY-UHFFFAOYSA-N -2 3 274.280 1.206 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-])s1 ZINC000275180525 371201314 /nfs/dbraw/zinc/20/13/14/371201314.db2.gz DHDSJLWMJDMHSY-LURJTMIESA-N -2 3 299.320 1.443 20 0 CDADHL CC/C=C\C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000385076917 373217070 /nfs/dbraw/zinc/21/70/70/373217070.db2.gz WFKJFYFYRLTUEO-ARJAWSKDSA-N -2 3 275.351 1.691 20 0 CDADHL C[C@@H](CN(C)C(=O)c1c[n-]c2ccccc2c1=O)C(=O)[O-] ZINC000042696803 374335440 /nfs/dbraw/zinc/33/54/40/374335440.db2.gz SJWXAYZAXCAYHO-VIFPVBQESA-N -2 3 288.303 1.321 20 0 CDADHL CCOC(=O)c1coc(=NCc2nc(C(C)(C)C)n[n-]2)[n-]1 ZINC000418960382 376061047 /nfs/dbraw/zinc/06/10/47/376061047.db2.gz FWYMYYXUQIZDKJ-UHFFFAOYSA-N -2 3 293.327 1.301 20 0 CDADHL C[C@H]([N-]S(=O)(=O)c1cccs1)[C@H](C)C(=O)[O-] ZINC000164882737 292854340 /nfs/dbraw/zinc/85/43/40/292854340.db2.gz URJOMZOGIOXGKR-BQBZGAKWSA-N -2 3 263.340 1.136 20 0 CDADHL [O-]c1ccc(F)c(CN=c2[n-]nc(C3CC3)o2)c1F ZINC000438929161 391983067 /nfs/dbraw/zinc/98/30/67/391983067.db2.gz JFOGDRMZFISKRS-UHFFFAOYSA-N -2 3 267.235 1.965 20 0 CDADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000262474701 131223929 /nfs/dbraw/zinc/22/39/29/131223929.db2.gz PWKLYGOILOMLED-SECBINFHSA-N -2 3 275.326 1.305 20 0 CDADHL Cc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)c([O-])c1 ZINC000262830553 131265604 /nfs/dbraw/zinc/26/56/04/131265604.db2.gz RIQJXYKWUJDMLO-GHMZBOCLSA-N -2 3 277.320 1.883 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)o1 ZINC000263474946 140487216 /nfs/dbraw/zinc/48/72/16/140487216.db2.gz IXEAIXHJCUTOEA-UHFFFAOYSA-N -2 3 287.337 1.510 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C=CCCC2)c(F)c1 ZINC000185041570 148383367 /nfs/dbraw/zinc/38/33/67/148383367.db2.gz PPDRUETYODUKHN-SNVBAGLBSA-N -2 3 299.323 1.911 20 0 CDADHL COc1ccc(SCC(=O)N=c2ccc([O-])n[n-]2)cc1 ZINC000361959329 159024552 /nfs/dbraw/zinc/02/45/52/159024552.db2.gz YHLDEHNCSPWLBQ-UHFFFAOYSA-N -2 3 291.332 1.344 20 0 CDADHL CC(C)(C)[C@@H](NC(=O)c1ccc(O)cc1[O-])C(=O)[O-] ZINC000035390425 172173852 /nfs/dbraw/zinc/17/38/52/172173852.db2.gz SAFIXYVDMSFZFW-JTQLQIEISA-N -2 3 267.281 1.327 20 0 CDADHL CCCC[C@H](NC(=O)c1ccccc1[O-])C(=O)[O-] ZINC000035410579 172181923 /nfs/dbraw/zinc/18/19/23/172181923.db2.gz LZAKIYGHUKQRTF-JTQLQIEISA-N -2 3 251.282 1.765 20 0 CDADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(C)cs1)C(=O)[O-] ZINC000654769866 413696251 /nfs/dbraw/zinc/69/62/51/413696251.db2.gz KTOCODWUCYIJNE-QMMMGPOBSA-N -2 3 277.367 1.446 20 0 CDADHL CSc1ccc([O-])c(C(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000663025996 413834587 /nfs/dbraw/zinc/83/45/87/413834587.db2.gz DNJQNGSVRJVJNG-SNVBAGLBSA-N -2 3 297.332 1.040 20 0 CDADHL C[C@@](NC(=O)c1ccc(O)cc1[O-])(C(=O)[O-])C1CC1 ZINC000037366374 173155575 /nfs/dbraw/zinc/15/55/75/173155575.db2.gz PMRXJHKHYXUJLU-ZDUSSCGKSA-N -2 3 265.265 1.081 20 0 CDADHL COc1ccc([O-])c(C(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC000037435640 173206987 /nfs/dbraw/zinc/20/69/87/173206987.db2.gz AUAHIYIAMWTCCE-SNVBAGLBSA-N -2 3 265.265 1.090 20 0 CDADHL CCC(CC)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000663420315 414245577 /nfs/dbraw/zinc/24/55/77/414245577.db2.gz PRBGKGWACUGAFG-UHFFFAOYSA-N -2 3 275.326 1.753 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2C)oc1C(=O)[O-] ZINC000663422129 414246118 /nfs/dbraw/zinc/24/61/18/414246118.db2.gz HUKWNVFBCKETFD-IONNQARKSA-N -2 3 287.337 1.753 20 0 CDADHL C[C@@H]1CCN(C(=O)c2ccc3n[n-]nc3c2)C[C@@H]1C(=O)[O-] ZINC000569122450 294163004 /nfs/dbraw/zinc/16/30/04/294163004.db2.gz MSPDLCUTDUUHFA-SCZZXKLOSA-N -2 3 288.307 1.141 20 0 CDADHL COc1ccc([O-])c(C(=O)N2CCC[C@H](C)[C@@H]2C(=O)[O-])c1 ZINC000234958938 295165145 /nfs/dbraw/zinc/16/51/45/295165145.db2.gz HQLDQIAAZUPALH-TVQRCGJNSA-N -2 3 293.319 1.726 20 0 CDADHL O=P([O-])([O-])CCO[C@@H](c1cccnc1)C1CC1 ZINC001224601230 1160778987 /nfs/dbraw/zinc/77/89/87/1160778987.db2.gz FIUCKPFGJQKNMZ-LLVKDONJSA-N -2 3 257.226 1.727 20 0 CDADHL O=S(=O)([N-]c1nc2c(s1)CCC2)c1ccc([O-])cc1 ZINC000049548379 527161372 /nfs/dbraw/zinc/16/13/72/527161372.db2.gz YGROVTUVSUARGZ-UHFFFAOYSA-N -2 3 296.373 1.560 20 0 CDADHL CCC[C@H]([N-]S(=O)(=O)c1sccc1OC)C(=O)[O-] ZINC000262621257 535706501 /nfs/dbraw/zinc/70/65/01/535706501.db2.gz CSBPFCCHYFMLPB-ZETCQYMHSA-N -2 3 293.366 1.288 20 0 CDADHL Cc1cc(C)c(-c2nnn[n-]2)c(N(C)C[C@@H](C)C(=O)[O-])n1 ZINC000095331352 1174525344 /nfs/dbraw/zinc/52/53/44/1174525344.db2.gz GKDOITGVXOWAEN-MRVPVSSYSA-N -2 3 290.327 1.035 20 0 CDADHL Cc1cc(C)c(-c2nn[n-]n2)c(N(C)C[C@@H](C)C(=O)[O-])n1 ZINC000095331352 1174525351 /nfs/dbraw/zinc/52/53/51/1174525351.db2.gz GKDOITGVXOWAEN-MRVPVSSYSA-N -2 3 290.327 1.035 20 0 CDADHL Cc1nocc1S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(=O)[O-] ZINC001600818323 1174628324 /nfs/dbraw/zinc/62/83/24/1174628324.db2.gz LHTQXXHHSRYNOD-QMMMGPOBSA-N -2 3 290.341 1.151 20 0 CDADHL O=C([O-])[C@H]1C[C@H]1C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000739553855 574451719 /nfs/dbraw/zinc/45/17/19/574451719.db2.gz SENLDYMOMTZLCQ-SFYZADRCSA-N -2 3 290.254 1.270 20 0 CDADHL O=C([O-])COc1cccc(C=Cc2nccc(=O)[n-]2)c1 ZINC000764437330 575907036 /nfs/dbraw/zinc/90/70/36/575907036.db2.gz YRXROQUAMJYNNG-SNAWJCMRSA-N -2 3 272.260 1.816 20 0 CDADHL Cc1[n-]ncc1S(=O)(=O)Oc1ccsc1C(=O)[O-] ZINC000738249524 576053618 /nfs/dbraw/zinc/05/36/18/576053618.db2.gz VPWZHSJPNKFGTK-UHFFFAOYSA-N -2 3 288.306 1.246 20 0 CDADHL Cc1cc(F)cc2c(=O)c(C(=O)NCCC(=O)[O-])c[n-]c12 ZINC000738396365 576068207 /nfs/dbraw/zinc/06/82/07/576068207.db2.gz DIUYBHXUMNNCNH-UHFFFAOYSA-N -2 3 292.266 1.180 20 0 CDADHL Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)c([O-])c1C ZINC000738515492 576085392 /nfs/dbraw/zinc/08/53/92/576085392.db2.gz TULKBMAQPKWMIG-NSHDSACASA-N -2 3 292.335 1.881 20 0 CDADHL O=C([O-])Nc1ccc(CCN=c2ncnc3[nH][n-]cc2-3)cc1 ZINC000740024315 576412258 /nfs/dbraw/zinc/41/22/58/576412258.db2.gz CSGNCBJWFOKKAE-UHFFFAOYSA-N -2 3 298.306 1.471 20 0 CDADHL O=C([O-])CCS(=O)(=O)[N-]c1cc(Cl)ccc1[O-] ZINC001602028523 1175114111 /nfs/dbraw/zinc/11/41/11/1175114111.db2.gz SRWBNAMSRQIEQE-UHFFFAOYSA-N -3 3 279.701 1.262 20 0 CDADHL CCC[C@@H](CC)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000050401832 599775168 /nfs/dbraw/zinc/77/51/68/599775168.db2.gz VKYVOUFWWNLQFL-MRVPVSSYSA-N -2 3 275.326 1.835 20 0 CDADHL CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000022144367 600337246 /nfs/dbraw/zinc/33/72/46/600337246.db2.gz KLRRBVSPTOHFSL-UHFFFAOYSA-N -2 3 293.291 1.740 20 0 CDADHL COc1cc(C(=O)N[C@@H](C(=O)[O-])C(C)C)cc(OC)c1[O-] ZINC000820759080 605042582 /nfs/dbraw/zinc/04/25/82/605042582.db2.gz FKGPFNPTARCXCX-LLVKDONJSA-N -2 3 297.307 1.248 20 0 CDADHL CCC[C@@H](NC(=O)c1ccc(O)cc1[O-])C(=O)[O-] ZINC000036831249 605764835 /nfs/dbraw/zinc/76/48/35/605764835.db2.gz JEOACNKUCOUOMD-SECBINFHSA-N -2 3 253.254 1.081 20 0 CDADHL O=C([O-])CC1CC(NC(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000910806462 618520638 /nfs/dbraw/zinc/52/06/38/618520638.db2.gz HWCWUXBXEKMPSG-UHFFFAOYSA-N -2 3 281.283 1.443 20 0 CDADHL C[C@](CCF)(NC(=O)c1ccc(O)cc1[O-])C(=O)[O-] ZINC001604139083 1163102103 /nfs/dbraw/zinc/10/21/03/1163102103.db2.gz FNJFDVIVBKWUHA-GFCCVEGCSA-N -2 3 271.244 1.031 20 0 CDADHL O=C([O-])CC1(Nc2cccc(F)c2-c2nnn[n-]2)CCC1 ZINC001606961429 1164039988 /nfs/dbraw/zinc/03/99/88/1164039988.db2.gz QXKYXOINAFXQHJ-UHFFFAOYSA-N -2 3 291.286 1.815 20 0 CDADHL O=C([O-])CC1(Nc2cccc(F)c2-c2nn[n-]n2)CCC1 ZINC001606961429 1164039992 /nfs/dbraw/zinc/03/99/92/1164039992.db2.gz QXKYXOINAFXQHJ-UHFFFAOYSA-N -2 3 291.286 1.815 20 0 CDADHL Nc1ccc(C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])c([O-])c1 ZINC001608271575 1164475295 /nfs/dbraw/zinc/47/52/95/1164475295.db2.gz CJWSBZCHNUTFRV-PLMOITTCSA-N -2 3 290.319 1.300 20 0 CDADHL O=C([O-])[C@H]1CC[C@H](c2nc(-c3cc(=O)[n-]cn3)no2)CC1 ZINC001610804719 1165448033 /nfs/dbraw/zinc/44/80/33/1165448033.db2.gz HZFYTDKLQZJASD-ZKCHVHJHSA-N -2 3 290.279 1.591 20 0 CDADHL O=C(Nc1cccc(Cc2nnn[n-]2)c1)c1cncc([O-])c1 ZINC001642173786 1167158947 /nfs/dbraw/zinc/15/89/47/1167158947.db2.gz WDECLDDLKJXVKS-UHFFFAOYSA-N -2 3 296.290 1.143 20 0 CDADHL O=C([O-])CCCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001593278098 1174044790 /nfs/dbraw/zinc/04/47/90/1174044790.db2.gz QRHUFNKEKWOWDG-UHFFFAOYSA-N -2 3 282.691 1.192 20 0 CDADHL O=C([O-])CCCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001593278098 1174044797 /nfs/dbraw/zinc/04/47/97/1174044797.db2.gz QRHUFNKEKWOWDG-UHFFFAOYSA-N -2 3 282.691 1.192 20 0 CDADHL O=C([O-])[C@H]1C[C@H](Nc2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC001593278812 1174049454 /nfs/dbraw/zinc/04/94/54/1174049454.db2.gz CHRMTKTZMZBJDZ-LJGSYFOKSA-N -2 3 295.249 1.420 20 0 CDADHL Cc1cc(=O)[n-]c(NC[C@@H](CC(=O)[O-])C2CC2)n1 ZINC001600285247 1174437387 /nfs/dbraw/zinc/43/73/87/1174437387.db2.gz GBIRVVVDNNVKII-SECBINFHSA-N -2 3 251.286 1.403 20 0 CDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccco1)C1CCCCC1 ZINC001601680479 1174942640 /nfs/dbraw/zinc/94/26/40/1174942640.db2.gz YGYZDECCOGKAQC-NSHDSACASA-N -2 3 287.337 1.591 20 0 CDADHL O=C([O-])c1coc(CNC(=O)c2cccc3n[n-]nc32)c1 ZINC001602554767 1175293629 /nfs/dbraw/zinc/29/36/29/1175293629.db2.gz QBDVHUIMWWFTRK-UHFFFAOYSA-N -2 3 286.247 1.179 20 0 CDADHL O=C([O-])[C@@H](F)C[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC001608801211 1164642578 /nfs/dbraw/zinc/64/25/78/1164642578.db2.gz LQDHZMSKRCKPNP-ZETCQYMHSA-N -2 3 299.682 1.180 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H]1CCCC12CC2 ZINC000871995826 751412930 /nfs/dbraw/zinc/41/29/30/751412930.db2.gz IKFUIOBFLJKYNS-SECBINFHSA-N -2 3 285.321 1.589 20 0 CDADHL Cc1n[n-]cc1C(=O)O[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001610405264 1165308491 /nfs/dbraw/zinc/30/84/91/1165308491.db2.gz WOERMHKSGMQQDY-LLVKDONJSA-N -2 3 278.239 1.840 20 0 CDADHL O=C([O-])Cc1ccc(Nc2cc(=O)[n-]c(=S)[nH]2)cc1 ZINC001174947139 913411624 /nfs/dbraw/zinc/41/16/24/913411624.db2.gz AWDKJKQXGDBMAE-UHFFFAOYSA-N -2 3 277.305 1.842 20 0 CDADHL NC(=O)c1ccc(Nc2cccc(C(=O)[O-])c2)cc1[O-] ZINC001175335312 913546134 /nfs/dbraw/zinc/54/61/34/913546134.db2.gz ZVQYQJKXIFFOBH-UHFFFAOYSA-N -2 3 272.260 1.933 20 0 CDADHL NC(=O)c1ccc(Nc2csc(C(=O)[O-])c2)cc1[O-] ZINC001176440240 914100412 /nfs/dbraw/zinc/10/04/12/914100412.db2.gz JESYBTALGUZYOZ-UHFFFAOYSA-N -2 3 278.289 1.994 20 0 CDADHL NC(=O)c1cnoc1[N-]c1c(F)cc(F)c([O-])c1F ZINC001176662874 914232139 /nfs/dbraw/zinc/23/21/39/914232139.db2.gz BMDATWDCDPHICK-UHFFFAOYSA-N -2 3 273.170 1.640 20 0 CDADHL Cc1nc(NC(=O)Cc2ccc([S-])cc2)cc(=O)[n-]1 ZINC001183186284 918334400 /nfs/dbraw/zinc/33/44/00/918334400.db2.gz LTIIUXDLUHJDST-UHFFFAOYSA-N -2 3 275.333 1.961 20 0 CDADHL Cc1cc(NC(=O)NCCP(=O)([O-])[O-])ccc1Cl ZINC001191776204 922732142 /nfs/dbraw/zinc/73/21/42/922732142.db2.gz OCQICOVQOCDFOH-UHFFFAOYSA-N -2 3 292.659 1.948 20 0 CDADHL COC(=O)c1ccc([O-])c(C(=O)Nc2ncccc2[O-])c1 ZINC001192378540 923041473 /nfs/dbraw/zinc/04/14/73/923041473.db2.gz YSFJNLRISFXVIX-UHFFFAOYSA-N -2 3 288.259 1.532 20 0 CDADHL CC1=C[C@H](Oc2nc3ncnc-3c([S-])[n-]2)CC(=O)O1 ZINC001226780376 942069117 /nfs/dbraw/zinc/06/91/17/942069117.db2.gz IAJCPNHFFABTRX-LURJTMIESA-N -2 3 278.293 1.240 20 0 CDADHL COc1ccccc1[C@@H](C)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227566956 942189662 /nfs/dbraw/zinc/18/96/62/942189662.db2.gz LCEFFPXMZBCVMH-SSDOTTSWSA-N -2 3 263.253 1.431 20 0 CDADHL Cc1ccccc1OC[C@@H](C)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227569382 942190669 /nfs/dbraw/zinc/19/06/69/942190669.db2.gz AQVRRHAGVUAQSP-SECBINFHSA-N -2 3 277.280 1.438 20 0 CDADHL CC(C)C[C@H](Nc1ccc(-c2nn[n-]n2)cn1)C(=O)[O-] ZINC000095206681 944616791 /nfs/dbraw/zinc/61/67/91/944616791.db2.gz WGVSEZDXEGGPQI-VIFPVBQESA-N -2 3 276.300 1.173 20 0 CDADHL O=S(=O)([N-]C1=CC=C[CH]1)c1cc(F)cc(F)c1 ZINC001259315112 945559135 /nfs/dbraw/zinc/55/91/35/945559135.db2.gz SGCNGFRDXAELGX-UHFFFAOYSA-N -2 3 256.253 1.901 20 0 CDADHL COC(=O)c1ccc([N-]S(=O)(=O)CC(C)C)c([O-])c1 ZINC001259885006 945680826 /nfs/dbraw/zinc/68/08/26/945680826.db2.gz SVIHYLKISXPEMA-UHFFFAOYSA-N -2 3 287.337 1.577 20 0 CDADHL Cc1ccc(-c2cncc(C(=O)[O-])c2)cc1-c1nnn[n-]1 ZINC001241802218 946475963 /nfs/dbraw/zinc/47/59/63/946475963.db2.gz MPNBPQNJSJWFBY-UHFFFAOYSA-N -2 3 281.275 1.935 20 0 CDADHL Cc1ccc(-c2cncc(C(=O)[O-])c2)cc1-c1nn[n-]n1 ZINC001241802218 946475966 /nfs/dbraw/zinc/47/59/66/946475966.db2.gz MPNBPQNJSJWFBY-UHFFFAOYSA-N -2 3 281.275 1.935 20 0 CDADHL O=C([O-])c1cc(C(=O)Nc2cc(Cl)ccc2[O-])[nH]n1 ZINC001594801287 953736879 /nfs/dbraw/zinc/73/68/79/953736879.db2.gz BXKUCRDMOFUWJD-UHFFFAOYSA-N -2 3 281.655 1.719 20 0 CDADHL CC(C)OC(=O)c1cc(NC(=O)[C@H](C(=O)[O-])C2CC2)[n-]n1 ZINC001603074708 972141781 /nfs/dbraw/zinc/14/17/81/972141781.db2.gz VLPIGHJXEDATLX-SNVBAGLBSA-N -2 3 295.295 1.024 20 0 CDADHL CC(C)OC(=O)c1cc(NC(=O)[C@H](C(=O)[O-])C2CC2)n[n-]1 ZINC001603074708 972141785 /nfs/dbraw/zinc/14/17/85/972141785.db2.gz VLPIGHJXEDATLX-SNVBAGLBSA-N -2 3 295.295 1.024 20 0 CDADHL CCS(=O)(=O)[N-]c1sc(C)c(C)c1C(=O)[O-] ZINC000106793939 958369515 /nfs/dbraw/zinc/36/95/15/958369515.db2.gz KCGMWLKOVUXGTK-UHFFFAOYSA-N -2 3 263.340 1.825 20 0 CDADHL C[C@@H]1CCN(C(=O)c2cccc(O)c2[O-])[C@@H](C(=O)[O-])C1 ZINC000125523227 958567628 /nfs/dbraw/zinc/56/76/28/958567628.db2.gz OTDIKGPPULBHND-PSASIEDQSA-N -2 3 279.292 1.423 20 0 CDADHL CC(C)C(C)(C)C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000232737973 960293932 /nfs/dbraw/zinc/29/39/32/960293932.db2.gz HTHAEDVTYYGPAG-UHFFFAOYSA-N -2 3 289.357 1.068 20 0 CDADHL O=C([O-])[C@@H]1CCC[C@@H]1[N-]C(=O)C(F)(F)C(F)F ZINC000236442065 960604818 /nfs/dbraw/zinc/60/48/18/960604818.db2.gz VRVJJKDEPWZZJH-UHNVWZDZSA-N -2 3 257.183 1.256 20 0 CDADHL CC(C)Cn1[n-]c(CC(=O)Nc2ncccc2[O-])cc1=O ZINC001447602622 966828285 /nfs/dbraw/zinc/82/82/85/966828285.db2.gz JHRFZKGREQJHQO-UHFFFAOYSA-N -2 3 290.323 1.114 20 0 CDADHL COc1cccc([O-])c1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000404654713 968327069 /nfs/dbraw/zinc/32/70/69/968327069.db2.gz STZHOQIAWHOLIQ-VIFPVBQESA-N -2 3 279.292 1.338 20 0 CDADHL CSCCO[N-]C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000848020906 968533646 /nfs/dbraw/zinc/53/36/46/968533646.db2.gz NJHDUCNYRSAREE-UHFFFAOYSA-N -2 3 269.326 1.084 20 0 CDADHL CCN(C(=O)c1cc(OC)c([O-])c(OC)c1)[C@@H](C)C(=O)[O-] ZINC001603716077 974141972 /nfs/dbraw/zinc/14/19/72/974141972.db2.gz XDRDFCMQGQTXFC-QMMMGPOBSA-N -2 3 297.307 1.345 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]C2CC3(CCC3)C2)c1 ZINC000697718881 976858972 /nfs/dbraw/zinc/85/89/72/976858972.db2.gz LNRBTUMJRZTDSD-UHFFFAOYSA-N -2 3 285.321 1.589 20 0 CDADHL CC1(C)SC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000710640835 977517199 /nfs/dbraw/zinc/51/71/99/977517199.db2.gz JSJYLBVKBXIWJO-SSDOTTSWSA-N -2 3 291.350 1.150 20 0 CDADHL CCc1cccc(C(=O)N2CC(F)(F)C[C@H]2C(=O)[O-])c1[O-] ZINC001597570571 988346293 /nfs/dbraw/zinc/34/62/93/988346293.db2.gz QELXHLLINGAREX-JTQLQIEISA-N -2 3 299.273 1.889 20 0 CDADHL CCc1cccc(C(=O)N2CC(F)(F)C[C@@H]2C(=O)[O-])c1[O-] ZINC001597570572 988346672 /nfs/dbraw/zinc/34/66/72/988346672.db2.gz QELXHLLINGAREX-SNVBAGLBSA-N -2 3 299.273 1.889 20 0 CDADHL CCc1cccc(C(=O)N[C@]2(CC(=O)[O-])CCOC2)c1[O-] ZINC001597577023 988370425 /nfs/dbraw/zinc/37/04/25/988370425.db2.gz YQLBUPQMPSCOAU-HNNXBMFYSA-N -2 3 293.319 1.318 20 0 CDADHL CC(C)(CSCc1nc2c(c(=O)[n-]1)COCC2)C(=O)[O-] ZINC001590819938 990652298 /nfs/dbraw/zinc/65/22/98/990652298.db2.gz BMRGUGQZFRUELO-UHFFFAOYSA-N -2 3 298.364 1.599 20 0 CDADHL O=C([O-])CCCOc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001593278280 1174048868 /nfs/dbraw/zinc/04/88/68/1174048868.db2.gz XISQWBHSLPOCHD-UHFFFAOYSA-N -2 3 282.687 1.764 20 0 CDADHL O=C([O-])CCCOc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001593278280 1174048872 /nfs/dbraw/zinc/04/88/72/1174048872.db2.gz XISQWBHSLPOCHD-UHFFFAOYSA-N -2 3 282.687 1.764 20 0 CDADHL CCc1ccc(C(=O)N[C@@H](CSC)C(=O)[O-])c([O-])c1 ZINC001573827980 1170792978 /nfs/dbraw/zinc/79/29/78/1170792978.db2.gz PLPUOKYOPTUWRW-JTQLQIEISA-N -2 3 283.349 1.501 20 0 CDADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H]2CCCC23CC3)c1C(=O)[O-] ZINC001574181914 1170908204 /nfs/dbraw/zinc/90/82/04/1170908204.db2.gz FQWFEBXDEBAXOP-QMMMGPOBSA-N -2 3 299.352 1.027 20 0 CDADHL COc1ccsc1S(=O)(=O)[N-]C[C@@H](C)CC(=O)[O-] ZINC000274997133 365885148 /nfs/dbraw/zinc/88/51/48/365885148.db2.gz LIQYPSBIBTXNHR-ZETCQYMHSA-N -2 3 293.366 1.146 20 0 CDADHL Cc1ccc([O-])c(CN(CC(=O)[O-])CC2CC2)n1 ZINC000091996640 482595783 /nfs/dbraw/zinc/59/57/83/482595783.db2.gz GRSNDPMLUJNIMU-UHFFFAOYSA-N -2 3 250.298 1.392 20 0 CDADHL CC(C)(C[N-]S(=O)(=O)c1cncc(Cl)c1)C(=O)[O-] ZINC000275190333 365957567 /nfs/dbraw/zinc/95/75/67/365957567.db2.gz FLGVZJDJGRCVTR-UHFFFAOYSA-N -2 3 292.744 1.124 20 0 CDADHL CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000088298408 349263951 /nfs/dbraw/zinc/26/39/51/349263951.db2.gz ZEVFHHNYAUXVFN-HTQZYQBOSA-N -2 3 289.357 1.211 20 0 CDADHL CCCS(=O)(=O)[N-]c1n[n-]c(SC(C)C)n1 ZINC000152835344 188047589 /nfs/dbraw/zinc/04/75/89/188047589.db2.gz YCBBGUSLZYEGJO-UHFFFAOYSA-N -2 3 264.376 1.457 20 0 CDADHL CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000399519552 356008705 /nfs/dbraw/zinc/00/87/05/356008705.db2.gz OEPMJEGSNDWUCD-SCZZXKLOSA-N -2 3 291.394 1.772 20 0 CDADHL Cc1cccc(C(=O)N[C@@H](C(=O)[O-])C(C)C)c1[O-] ZINC000019470467 356486835 /nfs/dbraw/zinc/48/68/35/356486835.db2.gz BBMYGPSXTFXPRU-SNVBAGLBSA-N -2 3 251.282 1.540 20 0 CDADHL Cc1nnc(-n2[n-]c3c(c2=O)C[C@@H](C(C)C)CC3)[n-]c1=O ZINC000634586881 356465935 /nfs/dbraw/zinc/46/59/35/356465935.db2.gz ZDPJAAXADXFARM-VHSXEESVSA-N -2 3 289.339 1.661 20 0 CDADHL Cc1cccc(C(=O)N(CC(=O)[O-])C(C)C)c1[O-] ZINC000037993472 356950992 /nfs/dbraw/zinc/95/09/92/356950992.db2.gz RYAUAVRFCPXSBZ-UHFFFAOYSA-N -2 3 251.282 1.636 20 0 CDADHL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccccc2[O-])C1 ZINC000263348390 357442474 /nfs/dbraw/zinc/44/24/74/357442474.db2.gz PDJFOCCFWBQZQQ-ZJUUUORDSA-N -2 3 263.293 1.575 20 0 CDADHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccco1 ZINC000277350113 366418314 /nfs/dbraw/zinc/41/83/14/366418314.db2.gz XGMUEFVIOGWMIO-QMMMGPOBSA-N -2 3 275.326 1.447 20 0 CDADHL O=C([O-])[C@H]1CCC[C@H]1C(=O)Nc1cc(F)ccc1[O-] ZINC000634824238 359405551 /nfs/dbraw/zinc/40/55/51/359405551.db2.gz OLMCNNPHSLNHQX-BDAKNGLRSA-N -2 3 267.256 1.971 20 0 CDADHL C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000131758355 361141666 /nfs/dbraw/zinc/14/16/66/361141666.db2.gz GIOLGGKYNYCGCC-IONNQARKSA-N -2 3 287.312 1.458 20 0 CDADHL CC[C@H](C)CO[N-]C(=O)c1c(C)[n-]c(=O)nc1SC ZINC000293800473 370803392 /nfs/dbraw/zinc/80/33/92/370803392.db2.gz SVAJZXUZGMALKM-ZETCQYMHSA-N -2 3 285.369 1.920 20 0 CDADHL Cc1nc(C)c(S(=O)(=O)[N-][C@H](C)[C@H](C)C(=O)[O-])s1 ZINC000564178740 367303627 /nfs/dbraw/zinc/30/36/27/367303627.db2.gz PCPFQUILIHDOFZ-NTSWFWBYSA-N -2 3 292.382 1.147 20 0 CDADHL O=C(c1c([O-])cccc1F)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000163377055 371261015 /nfs/dbraw/zinc/26/10/15/371261015.db2.gz FWLPDRYNCYQQCV-MRVPVSSYSA-N -2 3 291.286 1.064 20 0 CDADHL O=C(c1c([O-])cccc1F)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000163377055 371261020 /nfs/dbraw/zinc/26/10/20/371261020.db2.gz FWLPDRYNCYQQCV-MRVPVSSYSA-N -2 3 291.286 1.064 20 0 CDADHL Cc1noc(C)c1S(=O)(=O)[N-]CCC[C@H](C)C(=O)[O-] ZINC000229516993 373199285 /nfs/dbraw/zinc/19/92/85/373199285.db2.gz OQFQDRBOQQPIRN-ZETCQYMHSA-N -2 3 290.341 1.071 20 0 CDADHL CCc1ccc([O-])c(C(=O)N(C)C[C@H](C)c2nnn[n-]2)c1 ZINC000124120161 374763157 /nfs/dbraw/zinc/76/31/57/374763157.db2.gz OYITZNNATSIXPG-VIFPVBQESA-N -2 3 289.339 1.343 20 0 CDADHL CCc1ccc([O-])c(C(=O)N(C)C[C@H](C)c2nn[n-]n2)c1 ZINC000124120161 374763162 /nfs/dbraw/zinc/76/31/62/374763162.db2.gz OYITZNNATSIXPG-VIFPVBQESA-N -2 3 289.339 1.343 20 0 CDADHL CCc1ccc([O-])c(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)c1 ZINC000124119946 374762012 /nfs/dbraw/zinc/76/20/12/374762012.db2.gz OYITZNNATSIXPG-SECBINFHSA-N -2 3 289.339 1.343 20 0 CDADHL CCc1ccc([O-])c(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c1 ZINC000124119946 374762013 /nfs/dbraw/zinc/76/20/13/374762013.db2.gz OYITZNNATSIXPG-SECBINFHSA-N -2 3 289.339 1.343 20 0 CDADHL CO[C@@H](C)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000336797261 377780049 /nfs/dbraw/zinc/78/00/49/377780049.db2.gz ZYXWQUQKPPIDOL-ZETCQYMHSA-N -2 3 293.366 1.150 20 0 CDADHL O=S(=O)(C[C@@H]1CCCCO1)[N-]c1ccccc1[O-] ZINC000080928614 377823223 /nfs/dbraw/zinc/82/32/23/377823223.db2.gz FGQPEJKVCLJSQE-JTQLQIEISA-N -2 3 271.338 1.703 20 0 CDADHL CC(C)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000519649966 391677260 /nfs/dbraw/zinc/67/72/60/391677260.db2.gz VBJDKYRIIQOEGD-UHFFFAOYSA-N -2 3 261.299 1.302 20 0 CDADHL CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000645955975 393431392 /nfs/dbraw/zinc/43/13/92/393431392.db2.gz PSYGOIREGHWCGI-JGVFFNPUSA-N -2 3 289.353 1.999 20 0 CDADHL O=C([O-])CCCCCNC(=O)c1ccc(O)cc1[O-] ZINC000005756828 170137503 /nfs/dbraw/zinc/13/75/03/170137503.db2.gz FHWGMBJGIVGIAX-UHFFFAOYSA-N -2 3 267.281 1.473 20 0 CDADHL O=C([O-])CCS(=O)(=O)[N-]c1cc(F)ccc1F ZINC000020245442 171098419 /nfs/dbraw/zinc/09/84/19/171098419.db2.gz PNDAJUKXWDECGM-UHFFFAOYSA-N -2 3 265.237 1.181 20 0 CDADHL O=C([O-])CCCCCNC(=O)c1cccc([O-])c1 ZINC000022215020 171375180 /nfs/dbraw/zinc/37/51/80/171375180.db2.gz YDRCEGNZWQNAIK-UHFFFAOYSA-N -2 3 251.282 1.767 20 0 CDADHL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000037413030 173189638 /nfs/dbraw/zinc/18/96/38/173189638.db2.gz HCPJSQCJJVXJIH-ZCFIWIBFSA-N -2 3 279.264 1.106 20 0 CDADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C)cc1C(=O)[O-] ZINC000517931054 260322663 /nfs/dbraw/zinc/32/26/63/260322663.db2.gz VEENLZSFCZGCCY-GMSGAONNSA-N -2 3 287.337 1.753 20 0 CDADHL CC[C@H]([N-]S(=O)(=O)c1cc(C)cs1)C(=O)[O-] ZINC000567446190 293783758 /nfs/dbraw/zinc/78/37/58/293783758.db2.gz UJHZCKWJEBJQGC-ZETCQYMHSA-N -2 3 263.340 1.198 20 0 CDADHL CCC(C)(C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000582963283 325078567 /nfs/dbraw/zinc/07/85/67/325078567.db2.gz VLYTXXIZAFBPLE-UHFFFAOYSA-N -2 3 278.355 1.308 20 0 CDADHL CC1(C)C[C@@H]1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000232949060 482887009 /nfs/dbraw/zinc/88/70/09/482887009.db2.gz JGYYCQMXFWECED-SSDOTTSWSA-N -2 3 273.310 1.302 20 0 CDADHL COc1ccc([O-])c(C(=O)N(C)C(C)(C)C(=O)[O-])c1 ZINC000061150688 524725696 /nfs/dbraw/zinc/72/56/96/524725696.db2.gz COVLPYFBHKTUSJ-UHFFFAOYSA-N -2 3 267.281 1.336 20 0 CDADHL O=C([O-])[C@H](CNC(=O)c1c[n-]ncc1=O)CC1CCCC1 ZINC001601462136 1174875680 /nfs/dbraw/zinc/87/56/80/1174875680.db2.gz SNRXKOPJRHTOCO-JTQLQIEISA-N -2 3 293.323 1.193 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccsc2)o1 ZINC000063153059 599770293 /nfs/dbraw/zinc/77/02/93/599770293.db2.gz RXGIUOOGICPYPM-UHFFFAOYSA-N -2 3 287.318 1.518 20 0 CDADHL O=C([O-])C1CCC(NC(=O)c2ccc(O)cc2[O-])CC1 ZINC000037561202 600049415 /nfs/dbraw/zinc/04/94/15/600049415.db2.gz XLEIOCFLAROPOA-UHFFFAOYSA-N -2 3 279.292 1.471 20 0 CDADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)ccn1 ZINC000074932201 600519778 /nfs/dbraw/zinc/51/97/78/600519778.db2.gz GUWSBFJOPDOVMD-UHFFFAOYSA-N -2 3 292.316 1.889 20 0 CDADHL CN(C(=O)Cc1ccc([O-])c(F)c1)C(C)(C)CC(=O)[O-] ZINC001605965352 1163730000 /nfs/dbraw/zinc/73/00/00/1163730000.db2.gz CXANWJNSJCADTD-UHFFFAOYSA-N -2 3 283.299 1.786 20 0 CDADHL O=C([O-])c1cccc(C(=O)NCc2ncccc2[O-])c1 ZINC001610844471 1165460035 /nfs/dbraw/zinc/46/00/35/1165460035.db2.gz CZVHDDZLDFOWNZ-UHFFFAOYSA-N -2 3 272.260 1.415 20 0 CDADHL Cc1c(C(=O)[O-])n[nH]c1NC(=O)c1ccc(C)c(C)c1[O-] ZINC001574151888 1170897942 /nfs/dbraw/zinc/89/79/42/1170897942.db2.gz FGALYYCSDAAZQC-UHFFFAOYSA-N -2 3 289.291 1.991 20 0 CDADHL COc1nscc1[N-]C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001591671707 1173678642 /nfs/dbraw/zinc/67/86/42/1173678642.db2.gz XMWSJSXRQOTJJB-UHFFFAOYSA-N -2 3 292.280 1.177 20 0 CDADHL O=C([O-])CCCCCNc1cccnc1-c1nnn[n-]1 ZINC001593277779 1174045416 /nfs/dbraw/zinc/04/54/16/1174045416.db2.gz HQELUGLLLHISTA-UHFFFAOYSA-N -2 3 276.300 1.319 20 0 CDADHL Cc1c([N-]S(=O)(=O)CCC(=O)[O-])cnn1CC(C)C ZINC001600055245 1174347760 /nfs/dbraw/zinc/34/77/60/1174347760.db2.gz PTHLIPHPVRQMPQ-UHFFFAOYSA-N -2 3 289.357 1.064 20 0 CDADHL O=C([O-])[C@H]1CCC[C@H](C(=O)NCc2ncccc2[O-])C1 ZINC001601803844 1175014353 /nfs/dbraw/zinc/01/43/53/1175014353.db2.gz UCPDOUCFVFHWEV-UWVGGRQHSA-N -2 3 278.308 1.294 20 0 CDADHL O=C([O-])C[C@H]1CCCCN1Cc1cc(C(=O)[O-])no1 ZINC001601949670 1175081839 /nfs/dbraw/zinc/08/18/39/1175081839.db2.gz UGXKTQRANZGHND-MRVPVSSYSA-N -2 3 268.269 1.202 20 0 CDADHL COC(=O)c1ccc([N-]S(=O)(=O)C2CC2)c([O-])c1 ZINC000170552127 1181215810 /nfs/dbraw/zinc/21/58/10/1181215810.db2.gz LFCZZLJQXSUNRH-UHFFFAOYSA-N -2 3 271.294 1.083 20 0 CDADHL O=C([O-])c1cccc(Cl)c1COC(=O)c1cnn[n-]1 ZINC001609024014 1164732819 /nfs/dbraw/zinc/73/28/19/1164732819.db2.gz KDBSJBSMTGBKJR-UHFFFAOYSA-N -2 3 281.655 1.513 20 0 CDADHL O=C([O-])c1cccc(Cl)c1COC(=O)c1c[n-]nn1 ZINC001609024014 1164732825 /nfs/dbraw/zinc/73/28/25/1164732825.db2.gz KDBSJBSMTGBKJR-UHFFFAOYSA-N -2 3 281.655 1.513 20 0 CDADHL CCc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]2C)c([O-])c1 ZINC001610060248 1165199424 /nfs/dbraw/zinc/19/94/24/1165199424.db2.gz KJNYDZRIZCAZMT-KOLCDFICSA-N -2 3 277.320 1.890 20 0 CDADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]CCC1CCC1 ZINC000133865758 754962405 /nfs/dbraw/zinc/96/24/05/754962405.db2.gz ZDSLMLSGHKLGRA-UHFFFAOYSA-N -2 3 290.366 1.310 20 0 CDADHL CCC(=O)[N-][N-]S(=O)(=O)c1ccccc1Cl ZINC000007409887 755426714 /nfs/dbraw/zinc/42/67/14/755426714.db2.gz KQHRHFRMBYLKQP-UHFFFAOYSA-N -2 3 262.718 1.060 20 0 CDADHL O=C([O-])[C@H]1CCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000236453277 756565261 /nfs/dbraw/zinc/56/52/61/756565261.db2.gz OVQGPWRHDZUQJW-QMMMGPOBSA-N -2 3 283.711 1.982 20 0 CDADHL CC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cnc(C)s1 ZINC000829835197 756577200 /nfs/dbraw/zinc/57/72/00/756577200.db2.gz ZBKMCTHDRRJHNL-SNVBAGLBSA-N -2 3 292.382 1.373 20 0 CDADHL CC1([N-]S(=O)(=O)c2occc2C(=O)[O-])CCCC1 ZINC000871993600 756625065 /nfs/dbraw/zinc/62/50/65/756625065.db2.gz PKVZYNMGWFCNHS-UHFFFAOYSA-N -2 3 273.310 1.589 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@@H]2C=CCC2)oc1C(=O)[O-] ZINC000853231412 757756443 /nfs/dbraw/zinc/75/64/43/757756443.db2.gz VLAFHHCVAHGRKO-MRVPVSSYSA-N -2 3 271.294 1.283 20 0 CDADHL CC1(C(=O)[O-])CN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000399387997 758552826 /nfs/dbraw/zinc/55/28/26/758552826.db2.gz BUEVGCITGXJJAA-UHFFFAOYSA-N -2 3 269.684 1.592 20 0 CDADHL O=C([N-]N1CCOC1=O)c1c([O-])cccc1Cl ZINC001645478993 1167407037 /nfs/dbraw/zinc/40/70/37/1167407037.db2.gz XMHSDNOKRWZKDP-UHFFFAOYSA-N -2 3 256.645 1.143 20 0 CDADHL O=C1CCCC[C@@H]1OCCCCP(=O)([O-])[O-] ZINC001225019679 911595217 /nfs/dbraw/zinc/59/52/17/911595217.db2.gz ZSLOCOAZVMDWJH-JTQLQIEISA-N -2 3 250.231 1.473 20 0 CDADHL O=C(NCCP(=O)([O-])[O-])Nc1ccc(F)c(F)c1F ZINC001185342868 919560808 /nfs/dbraw/zinc/56/08/08/919560808.db2.gz RDFZNUCUNRUZOV-UHFFFAOYSA-N -2 3 298.157 1.403 20 0 CDADHL O=S(=O)([N-]c1c([O-])cc(F)cc1F)C1CCC1 ZINC001188131197 920848497 /nfs/dbraw/zinc/84/84/97/920848497.db2.gz WQHDJKHHZFKYGD-UHFFFAOYSA-N -2 3 263.265 1.965 20 0 CDADHL COc1ccc(N)cc1S(=O)(=O)[N-]c1cncc([O-])c1 ZINC001201641843 926371768 /nfs/dbraw/zinc/37/17/68/926371768.db2.gz TVIRYDLXTRJREX-UHFFFAOYSA-N -2 3 295.320 1.179 20 0 CDADHL CCC[C@@H](NC(=O)c1cccc(F)c1[O-])c1nn[n-]n1 ZINC001362069917 970845536 /nfs/dbraw/zinc/84/55/36/970845536.db2.gz PCNNQSKPLAKHKX-SECBINFHSA-N -2 3 279.275 1.316 20 0 CDADHL C[C@H](Oc1nc2ncnc-2c([S-])[n-]1)c1ncccn1 ZINC001226780159 942068549 /nfs/dbraw/zinc/06/85/49/942068549.db2.gz FKEMFIOQRSUCEC-LURJTMIESA-N -2 3 274.309 1.572 20 0 CDADHL C[C@H](Oc1[n-]c(=O)nc2nccnc21)C1=CC=C[CH]1 ZINC001226989523 942109898 /nfs/dbraw/zinc/10/98/98/942109898.db2.gz LJRYYFUAYOAOOM-QMMMGPOBSA-N -2 3 255.257 1.593 20 0 CDADHL C[C@@H]1CCC[C@H](Oc2[n-]c(=O)nc3cn[n-]c32)[C@H]1C ZINC001233939045 943695454 /nfs/dbraw/zinc/69/54/54/943695454.db2.gz GNNXRJQZTXFVJI-WEDXCCLWSA-N -2 3 262.313 1.850 20 0 CDADHL O=c1nc2cn[n-]c2c(O[C@H]2CCc3cc(F)ccc32)[n-]1 ZINC001233939748 943697056 /nfs/dbraw/zinc/69/70/56/943697056.db2.gz NVRQLOUHCCWKFU-NSHDSACASA-N -2 3 286.266 1.852 20 0 CDADHL O=P([O-])([O-])Oc1ccc(O[C@H]2CN3CCC2CC3)cc1 ZINC001234331788 943802870 /nfs/dbraw/zinc/80/28/70/943802870.db2.gz KBHXAGFPRMJQIQ-ZDUSSCGKSA-N -2 3 299.263 1.631 20 0 CDADHL C[C@H](CC(=O)[O-])Nc1cccc(F)c1-c1nnn[n-]1 ZINC000095241512 944618991 /nfs/dbraw/zinc/61/89/91/944618991.db2.gz VGRABWPBDYTBOA-ZCFIWIBFSA-N -2 3 265.248 1.281 20 0 CDADHL C[C@H](CC(=O)[O-])Nc1cccc(F)c1-c1nn[n-]n1 ZINC000095241512 944618996 /nfs/dbraw/zinc/61/89/96/944618996.db2.gz VGRABWPBDYTBOA-ZCFIWIBFSA-N -2 3 265.248 1.281 20 0 CDADHL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(F)c([O-])c1 ZINC001260110710 945800364 /nfs/dbraw/zinc/80/03/64/945800364.db2.gz TUEKZXWWQRPGGA-UHFFFAOYSA-N -2 3 299.327 1.682 20 0 CDADHL O=C1[N-]S(=O)(=O)c2cc(-c3cc([O-])cc(F)c3)ccc21 ZINC001241270879 946208365 /nfs/dbraw/zinc/20/83/65/946208365.db2.gz FBGWMCQNOMDDPI-UHFFFAOYSA-N -2 3 293.275 1.630 20 0 CDADHL CN1CCC=C(c2c(C(=O)[O-])cccc2C(=O)[O-])C1 ZINC001241568148 946351015 /nfs/dbraw/zinc/35/10/15/946351015.db2.gz BQERVMJLMSMIAZ-UHFFFAOYSA-N -2 3 261.277 1.802 20 0 CDADHL O=C1[N-]S(=O)(=O)c2ccc(-c3cccc(F)c3[O-])cc21 ZINC001242351030 946689015 /nfs/dbraw/zinc/68/90/15/946689015.db2.gz NLUFOCKOKOWDHD-UHFFFAOYSA-N -2 3 293.275 1.630 20 0 CDADHL [O-]c1c(F)cc(-c2cncc(-c3nnn[n-]3)c2)cc1F ZINC001244097526 947315714 /nfs/dbraw/zinc/31/57/14/947315714.db2.gz QGGUEPOTZHOSCK-UHFFFAOYSA-N -2 3 275.218 1.913 20 0 CDADHL O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1c([O-])cccc1O ZINC000232429493 949769328 /nfs/dbraw/zinc/76/93/28/949769328.db2.gz LYJDHZZFDQOVPB-SFYZADRCSA-N -2 3 265.265 1.081 20 0 CDADHL O=C([O-])c1cccc(CS(=O)(=O)[N-]c2cn[nH]c2)c1 ZINC000035764145 957223208 /nfs/dbraw/zinc/22/32/08/957223208.db2.gz XAYIUGNGXUXLCT-UHFFFAOYSA-N -2 3 281.293 1.050 20 0 CDADHL COc1ccc([O-])c(-c2nc(CC(=O)[O-])no2)c1 ZINC001594105494 958462896 /nfs/dbraw/zinc/46/28/96/958462896.db2.gz MNYASEATIDRGAQ-UHFFFAOYSA-N -2 3 250.210 1.078 20 0 CDADHL CCC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000233309144 960316861 /nfs/dbraw/zinc/31/68/61/960316861.db2.gz JNGGLHZPOGMOPZ-RNFRBKRXSA-N -2 3 290.366 1.308 20 0 CDADHL CN(C(=O)c1ccc2ccc(O)cc2c1[O-])c1nnn[n-]1 ZINC001557695613 965196827 /nfs/dbraw/zinc/19/68/27/965196827.db2.gz CAEQZSWQZJDNRG-UHFFFAOYSA-N -2 3 285.263 1.041 20 0 CDADHL CN(C(=O)c1ccc2ccc(O)cc2c1[O-])c1nn[n-]n1 ZINC001557695613 965196838 /nfs/dbraw/zinc/19/68/38/965196838.db2.gz CAEQZSWQZJDNRG-UHFFFAOYSA-N -2 3 285.263 1.041 20 0 CDADHL CCOc1nnc(NC(=O)c2ccc(C(=O)[O-])cc2F)[n-]1 ZINC001597193474 987077350 /nfs/dbraw/zinc/07/73/50/987077350.db2.gz BKYZKSYYOMXIJE-UHFFFAOYSA-N -2 3 294.242 1.293 20 0 CDADHL CCOc1nc(NC(=O)c2ccc(C(=O)[O-])cc2F)n[n-]1 ZINC001597193474 987077360 /nfs/dbraw/zinc/07/73/60/987077360.db2.gz BKYZKSYYOMXIJE-UHFFFAOYSA-N -2 3 294.242 1.293 20 0 CDADHL CCOc1n[n-]c(NC(=O)c2ccc(C(=O)[O-])cc2F)n1 ZINC001597193474 987077367 /nfs/dbraw/zinc/07/73/67/987077367.db2.gz BKYZKSYYOMXIJE-UHFFFAOYSA-N -2 3 294.242 1.293 20 0 CDADHL CC(C)(O)c1nnc([N-]Cc2ccc(C(=O)[O-])o2)o1 ZINC001590904785 990866745 /nfs/dbraw/zinc/86/67/45/990866745.db2.gz NQQIVSNTOQFMKZ-UHFFFAOYSA-N -2 3 267.241 1.200 20 0 CDADHL CCc1ccc(C(=O)N[C@H](C)/C=C\C(=O)[O-])c([O-])c1 ZINC001605804850 1163676275 /nfs/dbraw/zinc/67/62/75/1163676275.db2.gz NQUMWJZQNYAJHE-WQAKUFEDSA-N -2 3 263.293 1.714 20 0 CDADHL Cc1nc(=NCc2cc(=O)[n-]c(C3CCC3)n2)s[n-]1 ZINC000641683141 365721793 /nfs/dbraw/zinc/72/17/93/365721793.db2.gz JGDANIZTFVULOM-UHFFFAOYSA-N -2 3 277.353 1.644 20 0 CDADHL COCC1(S(=O)(=O)[N-]c2cccc(C(C)=O)c2[O-])CC1 ZINC000641685895 365724885 /nfs/dbraw/zinc/72/48/85/365724885.db2.gz KYYXTLBAXIWVOJ-UHFFFAOYSA-N -2 3 299.348 1.516 20 0 CDADHL Cc1cccc(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])c1[O-] ZINC000085321372 179014915 /nfs/dbraw/zinc/01/49/15/179014915.db2.gz VSBGSELGNMAVAK-KOLCDFICSA-N -2 3 263.293 1.684 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@]23C[C@@H]2CCCC3)c1 ZINC000634654731 356644580 /nfs/dbraw/zinc/64/45/80/356644580.db2.gz RTGJCSBTVKGYOS-CABZTGNLSA-N -2 3 285.321 1.589 20 0 CDADHL CC[C@@H](COC)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000079742110 358079920 /nfs/dbraw/zinc/07/99/20/358079920.db2.gz IBNIOVCGCHYGDN-QMMMGPOBSA-N -2 3 293.366 1.150 20 0 CDADHL CO[C@@H](C)CS(=O)(=O)[N-]c1ccc(C)cc1[O-] ZINC000193307033 358284036 /nfs/dbraw/zinc/28/40/36/358284036.db2.gz JMUGFKHACVICSS-VIFPVBQESA-N -2 3 259.327 1.477 20 0 CDADHL CC(=O)c1ccc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1[O-] ZINC000564967910 359325583 /nfs/dbraw/zinc/32/55/83/359325583.db2.gz WBYYPZFJXSUMEG-HNNXBMFYSA-N -2 3 291.303 1.532 20 0 CDADHL CCc1ccc([O-])c([N-]S(=O)(=O)CCC(=O)OC)c1 ZINC000094575353 360198139 /nfs/dbraw/zinc/19/81/39/360198139.db2.gz OKRKLQMKRUVNAG-UHFFFAOYSA-N -2 3 287.337 1.259 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]CCCCCC(=O)[O-])o1 ZINC000417434886 242468773 /nfs/dbraw/zinc/46/87/73/242468773.db2.gz XXKOMJJFFFFUEB-UHFFFAOYSA-N -2 3 275.326 1.511 20 0 CDADHL CC[C@@H](CS(=O)(=O)[N-]c1cccc([O-])c1F)OC ZINC000567101578 372070165 /nfs/dbraw/zinc/07/01/65/372070165.db2.gz ATLDCVUWRWEUND-QMMMGPOBSA-N -2 3 277.317 1.698 20 0 CDADHL [O-]c1ccc(F)c(CN=c2[n-]nc(CO)s2)c1F ZINC000574804868 295056229 /nfs/dbraw/zinc/05/62/29/295056229.db2.gz WVNAHADNQAFWMD-UHFFFAOYSA-N -2 3 273.264 1.048 20 0 CDADHL O=C([O-])CCCC[N-]S(=O)(=O)c1cccs1 ZINC000005769858 170138853 /nfs/dbraw/zinc/13/88/53/170138853.db2.gz IMGSGFZKBRSGOQ-UHFFFAOYSA-N -2 3 263.340 1.281 20 0 CDADHL CCCC[C@@H](NC(=O)c1cccc(OC)c1[O-])C(=O)[O-] ZINC000035410482 172181617 /nfs/dbraw/zinc/18/16/17/172181617.db2.gz VCJBXLREVKJKOK-SNVBAGLBSA-N -2 3 281.308 1.774 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CC[C@H](C(=O)[O-])[C@@H](C)C2)n1 ZINC000652496291 424494009 /nfs/dbraw/zinc/49/40/09/424494009.db2.gz QXMOJWVRPWXWMT-ONGXEEELSA-N -2 3 279.340 1.287 20 0 CDADHL Cc1cccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CC2)c1F ZINC000313207707 289429736 /nfs/dbraw/zinc/42/97/36/289429736.db2.gz KUXKKTKQTAVXAD-LLVKDONJSA-N -2 3 287.312 1.276 20 0 CDADHL COc1ccsc1S(=O)(=O)[N-][C@H](C)[C@H](C)C(=O)[O-] ZINC000556702042 290284697 /nfs/dbraw/zinc/28/46/97/290284697.db2.gz BOSGBMUYGZANGU-NKWVEPMBSA-N -2 3 293.366 1.144 20 0 CDADHL CC[C@](C)([N-]S(=O)(=O)c1sccc1OC)C(=O)[O-] ZINC000565831174 293692704 /nfs/dbraw/zinc/69/27/04/293692704.db2.gz IADQCOODLUOMLK-JTQLQIEISA-N -2 3 293.366 1.288 20 0 CDADHL CCc1ccc(S(=O)(=O)[N-][C@H](CF)C(=O)[O-])s1 ZINC000572118039 294560272 /nfs/dbraw/zinc/56/02/72/294560272.db2.gz IPPGEADEWQOZNT-SSDOTTSWSA-N -2 3 281.330 1.012 20 0 CDADHL COc1ccc([O-])c(C(=O)N(C)CCCC(=O)[O-])c1 ZINC000037456207 295165097 /nfs/dbraw/zinc/16/50/97/295165097.db2.gz SMYKOIGJNGAVCQ-UHFFFAOYSA-N -2 3 267.281 1.338 20 0 CDADHL CC(C)(NC(=O)c1ccccc1[O-])c1cc(C(=O)[O-])on1 ZINC001590864246 1173532925 /nfs/dbraw/zinc/53/29/25/1173532925.db2.gz YJZFHQUGDHIVGG-UHFFFAOYSA-N -2 3 290.275 1.744 20 0 CDADHL Cc1cc(-c2nn[n-]n2)cc(NCCCCC(=O)[O-])n1 ZINC001591858394 1173723066 /nfs/dbraw/zinc/72/30/66/1173723066.db2.gz PCJIDKQIWFLKKL-UHFFFAOYSA-N -2 3 276.300 1.237 20 0 CDADHL Cc1cccc(-c2nnn[n-]2)c1SCc1n[nH]c(=O)[n-]1 ZINC001592215295 1173834128 /nfs/dbraw/zinc/83/41/28/1173834128.db2.gz LUSJWAAZFPCQIZ-UHFFFAOYSA-N -2 3 289.324 1.291 20 0 CDADHL Cc1cccc(-c2nn[n-]n2)c1SCc1n[nH]c(=O)[n-]1 ZINC001592215295 1173834133 /nfs/dbraw/zinc/83/41/33/1173834133.db2.gz LUSJWAAZFPCQIZ-UHFFFAOYSA-N -2 3 289.324 1.291 20 0 CDADHL CC(C)[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001603967083 1175703706 /nfs/dbraw/zinc/70/37/06/1175703706.db2.gz KGMPROPESWQJOO-IUCAKERBSA-N -2 3 287.337 1.548 20 0 CDADHL COc1ccc(C(=O)N(C)C(C)(C)C(=O)[O-])c([O-])c1 ZINC000061150063 523596633 /nfs/dbraw/zinc/59/66/33/523596633.db2.gz JKSLUUFQJMGADQ-UHFFFAOYSA-N -2 3 267.281 1.336 20 0 CDADHL Cc1cc(=O)[n-]c(N(C)Cc2ccc(C(=O)[O-])cc2)n1 ZINC001600286432 1174439221 /nfs/dbraw/zinc/43/92/21/1174439221.db2.gz YZUPDWTWYPNLLA-UHFFFAOYSA-N -2 3 273.292 1.825 20 0 CDADHL C[C@H](CN(C(=O)c1ccccc1[O-])C1CC1)C(=O)[O-] ZINC000736571787 575693555 /nfs/dbraw/zinc/69/35/55/575693555.db2.gz UWPJFQQJPZNBPQ-SECBINFHSA-N -2 3 263.293 1.718 20 0 CDADHL O=C([O-])c1ccc(C(=O)N2CCc3nc[n-]c(=O)c3C2)cc1 ZINC000821544583 598157356 /nfs/dbraw/zinc/15/73/56/598157356.db2.gz HAIGWLWDNUVPBJ-UHFFFAOYSA-N -2 3 299.286 1.079 20 0 CDADHL COCCO[N-]C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000831767039 601149002 /nfs/dbraw/zinc/14/90/02/601149002.db2.gz FOZBLUHJTKNZQS-UHFFFAOYSA-N -2 3 267.281 1.012 20 0 CDADHL C[C@H]1CN(C(=O)NCc2ccc([O-])c(F)c2)C[C@H]1C(=O)[O-] ZINC000828363617 601547032 /nfs/dbraw/zinc/54/70/32/601547032.db2.gz XFRVNSGHQVKVBK-WCBMZHEXSA-N -2 3 296.298 1.393 20 0 CDADHL CCc1ccc([O-])c(C(=O)N2C[C@H](C(=O)[O-])[C@H](C)C2)c1 ZINC000830253642 601801437 /nfs/dbraw/zinc/80/14/37/601801437.db2.gz JIBIRNFKZAKVMQ-SKDRFNHKSA-N -2 3 277.320 1.747 20 0 CDADHL C[C@H](CSCCC[N-]C(=O)C(F)(F)F)C(=O)[O-] ZINC000827574469 604361945 /nfs/dbraw/zinc/36/19/45/604361945.db2.gz BPEJZVJCQVXWRE-ZCFIWIBFSA-N -2 3 273.276 1.509 20 0 CDADHL C[C@]1(NC(=O)c2ccc(O)cc2[O-])CCCC[C@H]1C(=O)[O-] ZINC000833567067 604963865 /nfs/dbraw/zinc/96/38/65/604963865.db2.gz FWPWEVVAMMADAP-NHYWBVRUSA-N -2 3 293.319 1.861 20 0 CDADHL O=C([O-])CCCC(=O)[N-]OCc1ccc(F)cc1 ZINC000911807038 629537605 /nfs/dbraw/zinc/53/76/05/629537605.db2.gz TWYFIGQLLQRAKZ-UHFFFAOYSA-N -2 3 255.245 1.628 20 0 CDADHL CCC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001605355306 1163532027 /nfs/dbraw/zinc/53/20/27/1163532027.db2.gz POIKGTLMGWVSIF-RNFRBKRXSA-N -2 3 290.366 1.308 20 0 CDADHL CCN(CC(=O)[O-])Cc1nnc(-c2ccccc2[O-])o1 ZINC001605417373 1163559183 /nfs/dbraw/zinc/55/91/83/1163559183.db2.gz PVVGYDPVPDFRGV-UHFFFAOYSA-N -2 3 277.280 1.349 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)CC[C@@H]1CCCCO1 ZINC001608715941 1164617780 /nfs/dbraw/zinc/61/77/80/1164617780.db2.gz MXRIEWBNMSWHBF-JTQLQIEISA-N -2 3 259.302 1.248 20 0 CDADHL O=C([O-])[C@@H]1CCCN1c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001609572314 1164991580 /nfs/dbraw/zinc/99/15/80/1164991580.db2.gz QFNWQACCAPOQMX-VIFPVBQESA-N -2 3 295.249 1.198 20 0 CDADHL Cc1cc(-c2nnn[n-]2)cc(NCCCCC(=O)[O-])n1 ZINC001591858394 1173723061 /nfs/dbraw/zinc/72/30/61/1173723061.db2.gz PCJIDKQIWFLKKL-UHFFFAOYSA-N -2 3 276.300 1.237 20 0 CDADHL O=C([O-])c1ccn(CC(=O)Nc2cc(F)ccc2[O-])n1 ZINC001601385903 1174852806 /nfs/dbraw/zinc/85/28/06/1174852806.db2.gz WRUHHTUYHMVYRU-UHFFFAOYSA-N -2 3 279.227 1.065 20 0 CDADHL O=C([O-])c1nc(C[N-]C(=O)C(F)F)ccc1Cl ZINC001602567234 1175300280 /nfs/dbraw/zinc/30/02/80/1175300280.db2.gz OZXGIGXIMYQSGY-UHFFFAOYSA-N -2 3 264.615 1.315 20 0 CDADHL CC(C)(C)ONC(=O)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001603104759 1175491233 /nfs/dbraw/zinc/49/12/33/1175491233.db2.gz SEPIYEDCFTZMDI-UHFFFAOYSA-N -2 3 277.284 1.032 20 0 CDADHL CC(C)[C@@H](CNc1cc(-c2nnn[n-]2)ccn1)C(=O)[O-] ZINC001603220016 1175517347 /nfs/dbraw/zinc/51/73/47/1175517347.db2.gz YANZWKURLIXUDX-SECBINFHSA-N -2 3 276.300 1.030 20 0 CDADHL CC(C)[C@@H](CNc1cc(-c2nn[n-]n2)ccn1)C(=O)[O-] ZINC001603220016 1175517352 /nfs/dbraw/zinc/51/73/52/1175517352.db2.gz YANZWKURLIXUDX-SECBINFHSA-N -2 3 276.300 1.030 20 0 CDADHL O=C([O-])/C=C/c1ccc(C(=O)Nc2ncccc2[O-])o1 ZINC001608659101 1164593374 /nfs/dbraw/zinc/59/33/74/1164593374.db2.gz LDBMAAVMYAZBSO-GQCTYLIASA-N -2 3 274.232 1.730 20 0 CDADHL O=C([O-])Cc1cccc(NC([O-])=NO[C@H]2CCCCO2)n1 ZINC001608786787 1164636877 /nfs/dbraw/zinc/63/68/77/1164636877.db2.gz PTUMGWCCDRMYTH-LBPRGKRZSA-N -2 3 295.295 1.288 20 0 CDADHL O=C([O-])c1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c[nH]1 ZINC001610713379 1165411057 /nfs/dbraw/zinc/41/10/57/1165411057.db2.gz IYJPRRWWLVENDX-UHFFFAOYSA-N -2 3 289.173 1.102 20 0 CDADHL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2ccc(N)cc2[O-])C1 ZINC000844934998 771132687 /nfs/dbraw/zinc/13/26/87/771132687.db2.gz QRZNRJXWPPBLQI-IUCAKERBSA-N -2 3 278.308 1.157 20 0 CDADHL CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](C)C(=O)[O-])nc2)n1 ZINC000263439273 772313689 /nfs/dbraw/zinc/31/36/89/772313689.db2.gz WJEHRNBEWWGNDB-QMMMGPOBSA-N -2 3 288.307 1.692 20 0 CDADHL CC(C)(NC(=O)NCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000780686089 772394840 /nfs/dbraw/zinc/39/48/40/772394840.db2.gz JCTOIDRXZKKREW-UHFFFAOYSA-N -2 3 270.260 1.194 20 0 CDADHL CCc1cccc(C(=O)NNc2[n-]cnc3ncnc2-3)c1[O-] ZINC000081785255 772772864 /nfs/dbraw/zinc/77/28/64/772772864.db2.gz KLLGLKADCBUVFE-UHFFFAOYSA-N -2 3 298.306 1.378 20 0 CDADHL COCCCO[N-]C(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000805043500 772936059 /nfs/dbraw/zinc/93/60/59/772936059.db2.gz VPLVCQSKMRDBAW-UHFFFAOYSA-N -2 3 283.328 1.312 20 0 CDADHL CC[C@H](C(=O)[O-])N(C)Cc1ccc(C(=O)[O-])s1 ZINC001594769979 981734162 /nfs/dbraw/zinc/73/41/62/981734162.db2.gz INNFSZJTRONQFB-MRVPVSSYSA-N -2 3 257.311 1.741 20 0 CDADHL C[C@@H]1C[C@H]([N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-])CCO1 ZINC001180176889 916173450 /nfs/dbraw/zinc/17/34/50/916173450.db2.gz QMGNYOPXZNXJSZ-PHDIDXHHSA-N -2 3 287.209 1.025 20 0 CDADHL CN(C)c1nc(Nc2ccc(C(=O)[O-])cc2F)cc(=O)[n-]1 ZINC001203286949 921815838 /nfs/dbraw/zinc/81/58/38/921815838.db2.gz ZCYANWSBGJDZSJ-UHFFFAOYSA-N -2 3 292.270 1.829 20 0 CDADHL O=C([N-]c1noc2nccnc12)c1c(F)ccc([O-])c1F ZINC001192523627 923121173 /nfs/dbraw/zinc/12/11/73/923121173.db2.gz DQSLUQPBOUTBEZ-UHFFFAOYSA-N -2 3 292.201 1.854 20 0 CDADHL CC(C)COC(=O)NCCCCP(=O)([O-])[O-] ZINC001193859098 923939715 /nfs/dbraw/zinc/93/97/15/923939715.db2.gz FPYOPHRYLSPXDS-UHFFFAOYSA-N -2 3 253.235 1.327 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1ccc(C2CC2)cn1 ZINC001195623108 924671894 /nfs/dbraw/zinc/67/18/94/924671894.db2.gz XLTQFVSYRQIQMU-UHFFFAOYSA-N -2 3 298.279 1.647 20 0 CDADHL O=S(=O)([N-]c1cncc([O-])c1)c1cccc(Cl)n1 ZINC001198198478 925368502 /nfs/dbraw/zinc/36/85/02/925368502.db2.gz VQZRKYYSZHNFJF-UHFFFAOYSA-N -2 3 285.712 1.636 20 0 CDADHL Cc1ncsc1C(=O)NCCCCP(=O)([O-])[O-] ZINC001147391669 932491161 /nfs/dbraw/zinc/49/11/61/932491161.db2.gz DJGGDNPUYCRQTQ-UHFFFAOYSA-N -2 3 278.270 1.139 20 0 CDADHL O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1ccc([O-])cn1 ZINC001157355424 938482467 /nfs/dbraw/zinc/48/24/67/938482467.db2.gz LJZKVWXDOLZITC-UHFFFAOYSA-N -2 3 297.274 1.530 20 0 CDADHL COC(=O)C[C@@H]1CCC[C@H](OCCP(=O)([O-])[O-])C1 ZINC001224602963 941773965 /nfs/dbraw/zinc/77/39/65/941773965.db2.gz UKKCHFXJDNQEIP-ZJUUUORDSA-N -2 3 280.257 1.303 20 0 CDADHL CCOC(=O)[C@@H](OCCCCP(=O)([O-])[O-])C1CC1 ZINC001225018851 941814915 /nfs/dbraw/zinc/81/49/15/941814915.db2.gz JMKNDOQNEYSZGL-JTQLQIEISA-N -2 3 280.257 1.303 20 0 CDADHL CCC(=O)[C@@H](CC)OCCCCP(=O)([O-])[O-] ZINC001225019482 941815025 /nfs/dbraw/zinc/81/50/25/941815025.db2.gz XFBUACFRZWPKDB-SNVBAGLBSA-N -2 3 252.247 1.719 20 0 CDADHL CCC[C@H](OCCCCP(=O)([O-])[O-])C(=O)OCC ZINC001225022417 941815805 /nfs/dbraw/zinc/81/58/05/941815805.db2.gz OWGOIKRPVWRFKQ-JTQLQIEISA-N -2 3 282.273 1.693 20 0 CDADHL C[C@@H](Oc1[n-]c(=O)nc2cnncc21)C1=CC=C[CH]1 ZINC001226690776 942050353 /nfs/dbraw/zinc/05/03/53/942050353.db2.gz IRLNUDKHIHGTPP-MRVPVSSYSA-N -2 3 255.257 1.593 20 0 CDADHL Cc1nn(C)cc1[C@@H](C)Oc1nc2ncnc-2c([S-])[n-]1 ZINC001226780357 942068028 /nfs/dbraw/zinc/06/80/28/942068028.db2.gz HGNFGIOUUKXMEJ-SSDOTTSWSA-N -2 3 290.352 1.824 20 0 CDADHL COC(=O)c1ccc([C@H](C)Oc2nc(=O)[n-]c(=O)[n-]2)cc1 ZINC001227568509 942190767 /nfs/dbraw/zinc/19/07/67/942190767.db2.gz NICQAEGAQHWWAR-ZETCQYMHSA-N -2 3 291.263 1.209 20 0 CDADHL Cc1cn2c(n1)[C@@H](Oc1[n-]c(=O)nc3cn[n-]c31)CCC2 ZINC001233939091 943694790 /nfs/dbraw/zinc/69/47/90/943694790.db2.gz HRGOCJKGJHRSHU-VIFPVBQESA-N -2 3 286.295 1.065 20 0 CDADHL C[C@H](Cc1ccco1)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233939606 943695232 /nfs/dbraw/zinc/69/52/32/943695232.db2.gz LKYGKZWYRDRDON-SSDOTTSWSA-N -2 3 260.253 1.249 20 0 CDADHL O=c1nc2cn[n-]c2c(O[C@@H]2CCc3ccccc3C2)[n-]1 ZINC001233939494 943695417 /nfs/dbraw/zinc/69/54/17/943695417.db2.gz KHSYQAARAASBTO-LLVKDONJSA-N -2 3 282.303 1.583 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](C2CC2)C2CCC2)o1 ZINC000324438257 971120285 /nfs/dbraw/zinc/12/02/85/971120285.db2.gz BDHMHEZVWVTWJY-LBPRGKRZSA-N -2 3 299.348 1.835 20 0 CDADHL O=C([O-])c1cnc(F)c(-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001244762393 947462026 /nfs/dbraw/zinc/46/20/26/947462026.db2.gz KNRYEGOQCJYJLA-UHFFFAOYSA-N -2 3 285.238 1.766 20 0 CDADHL O=C([O-])c1cnc(F)c(-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001244762393 947462034 /nfs/dbraw/zinc/46/20/34/947462034.db2.gz KNRYEGOQCJYJLA-UHFFFAOYSA-N -2 3 285.238 1.766 20 0 CDADHL O=P([O-])([O-])CCNC(=S)Nc1cc(F)ccc1F ZINC001248614204 949084766 /nfs/dbraw/zinc/08/47/66/949084766.db2.gz GGVDQCFPJNWDEE-UHFFFAOYSA-N -2 3 296.235 1.429 20 0 CDADHL COc1cccc([O-])c1C(=O)NCCC(C)(C)C(=O)[O-] ZINC000404734850 953381344 /nfs/dbraw/zinc/38/13/44/953381344.db2.gz SWKXWILNQSBZLD-UHFFFAOYSA-N -2 3 281.308 1.632 20 0 CDADHL O=C([O-])[C@H](CNC(=O)Cc1ccc([O-])c(F)c1)C1CCC1 ZINC001594707575 956850302 /nfs/dbraw/zinc/85/03/02/956850302.db2.gz JWWIDFPZWAPPSL-LLVKDONJSA-N -2 3 295.310 1.691 20 0 CDADHL CC(C)[C@H](CNC(=O)c1cc(=O)[n-]c(C2CC2)n1)C(=O)[O-] ZINC001588829562 961686189 /nfs/dbraw/zinc/68/61/89/961686189.db2.gz JJMBPHPLIAULGO-VIFPVBQESA-N -2 3 293.323 1.146 20 0 CDADHL C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)CC(=O)[O-])c1 ZINC001588450482 964097086 /nfs/dbraw/zinc/09/70/86/964097086.db2.gz NGNNIFNYZIMFGF-MRVPVSSYSA-N -2 3 292.291 1.110 20 0 CDADHL CSc1nc(NC(=O)CCCCC(=O)[O-])n[n-]1 ZINC001604978956 972568336 /nfs/dbraw/zinc/56/83/36/972568336.db2.gz GLQIQQBGZHEPPT-UHFFFAOYSA-N -2 3 258.303 1.110 20 0 CDADHL C[C@H](C1CC1)n1cc([N-]S(=O)(=O)CCC(=O)[O-])cn1 ZINC001592180737 977097248 /nfs/dbraw/zinc/09/72/48/977097248.db2.gz FGQSKJYLFYDCDE-MRVPVSSYSA-N -2 3 287.341 1.071 20 0 CDADHL Cc1cccc([O-])c1C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000706595219 977355804 /nfs/dbraw/zinc/35/58/04/977355804.db2.gz OMKIFDHWFZQJSU-NXEZZACHSA-N -2 3 263.293 1.493 20 0 CDADHL CC[C@@H](C(=O)[O-])N(C)Cc1ccc(C(=O)[O-])s1 ZINC001594769980 981734519 /nfs/dbraw/zinc/73/45/19/981734519.db2.gz INNFSZJTRONQFB-QMMMGPOBSA-N -2 3 257.311 1.741 20 0 CDADHL CC[C@H]([N-]S(=O)(=O)c1cncc(C(=O)[O-])c1)C(F)F ZINC001605104561 1163452516 /nfs/dbraw/zinc/45/25/16/1163452516.db2.gz GPMSICIJMJXYCP-QMMMGPOBSA-N -2 3 294.279 1.102 20 0 CDADHL CC(C)C[C@](C)(CNC(=O)c1c[n-]ncc1=O)C(=O)[O-] ZINC001573502715 1170676217 /nfs/dbraw/zinc/67/62/17/1170676217.db2.gz QANWMDVVLLUURP-CYBMUJFWSA-N -2 3 281.312 1.049 20 0 CDADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccoc1)c1cccs1 ZINC000551910742 290024894 /nfs/dbraw/zinc/02/48/94/290024894.db2.gz QJXRZVAPUNFMQH-SECBINFHSA-N -2 3 287.318 1.445 20 0 CDADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(C)(C)CC(=O)[O-] ZINC000275009137 365889559 /nfs/dbraw/zinc/88/95/59/365889559.db2.gz NAGMQWQNSLTXHA-UHFFFAOYSA-N -2 3 290.341 1.071 20 0 CDADHL C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000131771540 187586518 /nfs/dbraw/zinc/58/65/18/187586518.db2.gz MENQOHJRTWIIGV-NKWVEPMBSA-N -2 3 275.351 1.381 20 0 CDADHL COc1ccc(C(=O)N[C@H](C(=O)[O-])C(C)C)c([O-])c1 ZINC000019479697 356486788 /nfs/dbraw/zinc/48/67/88/356486788.db2.gz KCXGLNXPEHBJFC-NSHDSACASA-N -2 3 267.281 1.240 20 0 CDADHL Cc1nnc(-n2[n-]c3c(c2=O)CCCCCC3)[n-]c1=O ZINC000634586102 356465406 /nfs/dbraw/zinc/46/54/06/356465406.db2.gz BTTAYWXLKDUNGW-SECBINFHSA-N -2 3 275.312 1.559 20 0 CDADHL CC[C@](C)(C[N-]S(=O)(=O)c1c(C)noc1C)C(=O)[O-] ZINC000217094005 358979535 /nfs/dbraw/zinc/97/95/35/358979535.db2.gz PIXBKQUBUNCRJJ-LLVKDONJSA-N -2 3 290.341 1.071 20 0 CDADHL Cc1nc(C)c(S(=O)(=O)[N-][C@@H](C)CCC(=O)[O-])s1 ZINC000275011451 192876317 /nfs/dbraw/zinc/87/63/17/192876317.db2.gz NJBPZSXYYDCWJT-LURJTMIESA-N -2 3 292.382 1.292 20 0 CDADHL CC[C@H](CC[N-]S(=O)(=O)c1cnc(C)s1)C(=O)[O-] ZINC000297239864 200122498 /nfs/dbraw/zinc/12/24/98/200122498.db2.gz PRZBXCQNXZXNKW-MRVPVSSYSA-N -2 3 292.382 1.231 20 0 CDADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2CCSC2)c1 ZINC000231345771 360448226 /nfs/dbraw/zinc/44/82/26/360448226.db2.gz WDZBRSPKTVAFNA-ZETCQYMHSA-N -2 3 293.391 1.230 20 0 CDADHL Cc1[n-][nH]c(=O)c1CCN=c1nc(C2CCCC2)[n-]s1 ZINC000572949794 361191373 /nfs/dbraw/zinc/19/13/73/361191373.db2.gz GFSNBOKHWGQTNC-SNVBAGLBSA-N -2 3 293.396 1.542 20 0 CDADHL O=C(Nc1ccncc1[O-])c1cc(F)c([O-])c(F)c1 ZINC000436969621 361625164 /nfs/dbraw/zinc/62/51/64/361625164.db2.gz ZLGKKSWZZVWWFE-UHFFFAOYSA-N -2 3 266.203 1.445 20 0 CDADHL O=c1[n-]c([C@@H]2CCCCN2Cc2ncccc2[O-])n[nH]1 ZINC000566424975 370716656 /nfs/dbraw/zinc/71/66/56/370716656.db2.gz UCWTYOJCHPNXPS-JTQLQIEISA-N -2 3 275.312 1.338 20 0 CDADHL CCC1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000233073688 482903738 /nfs/dbraw/zinc/90/37/38/482903738.db2.gz WZNRIIMXBIMLNI-UHFFFAOYSA-N -2 3 273.310 1.446 20 0 CDADHL CN(CCCC(=O)[O-])C(=O)NCc1ccc([O-])c(F)c1 ZINC000414628198 241284517 /nfs/dbraw/zinc/28/45/17/241284517.db2.gz MIXDGHOPQUQCMM-UHFFFAOYSA-N -2 3 284.287 1.538 20 0 CDADHL O=C([N-]OC[C@H]1CCOC1)c1c(F)ccc([O-])c1F ZINC000290206081 369827225 /nfs/dbraw/zinc/82/72/25/369827225.db2.gz QABKYOMRZNQEPC-ZETCQYMHSA-N -2 3 273.235 1.368 20 0 CDADHL C[C@@]1([N-]S(=O)(=O)c2ccco2)CCCC[C@@H]1C(=O)[O-] ZINC000565361188 370428064 /nfs/dbraw/zinc/42/80/64/370428064.db2.gz IEZXNXYQBWXRMA-BXKDBHETSA-N -2 3 287.337 1.591 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]CC2CCCCC2)c1 ZINC000566180487 370637279 /nfs/dbraw/zinc/63/72/79/370637279.db2.gz NARJAAACMHRKDC-UHFFFAOYSA-N -2 3 287.337 1.836 20 0 CDADHL CC(C)CC[C@H](C)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000037732066 374031569 /nfs/dbraw/zinc/03/15/69/374031569.db2.gz PTOJHHWIRDFZRG-QMMMGPOBSA-N -2 3 289.357 1.211 20 0 CDADHL CCOc1ccc(C=CC(=O)N=c2ccc([O-])n[n-]2)cc1 ZINC000492646768 253263875 /nfs/dbraw/zinc/26/38/75/253263875.db2.gz IJCSFIFIHBEXOQ-UITAMQMPSA-N -2 3 285.303 1.655 20 0 CDADHL CC1CCC([N-]S(=O)(=O)c2ccco2)(C(=O)[O-])CC1 ZINC000282905552 391472509 /nfs/dbraw/zinc/47/25/09/391472509.db2.gz RMZJLYKKSCZJFH-UHFFFAOYSA-N -2 3 287.337 1.591 20 0 CDADHL CC[C@H](CS(=O)(=O)[N-]c1cc(C)ccc1[O-])OC ZINC000421162088 391826131 /nfs/dbraw/zinc/82/61/31/391826131.db2.gz YRDPLQVAOJVBTH-SNVBAGLBSA-N -2 3 273.354 1.867 20 0 CDADHL Cc1cccc(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)c1F ZINC000262411699 131219200 /nfs/dbraw/zinc/21/92/00/131219200.db2.gz LNLFJFVHRXWPPJ-NSHDSACASA-N -2 3 289.328 1.522 20 0 CDADHL CCc1ccc([O-])c(C(=O)Nc2c(C)[n-][nH]c2=O)c1 ZINC000646412457 392422289 /nfs/dbraw/zinc/42/22/89/392422289.db2.gz IVPVEZNQUMKFRE-UHFFFAOYSA-N -2 3 261.281 1.944 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]C[C@H]2CC=CCC2)cc1C(=O)[O-] ZINC000574319919 392570491 /nfs/dbraw/zinc/57/04/91/392570491.db2.gz UNEOQOZDUPNTQY-JTQLQIEISA-N -2 3 299.348 1.921 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]C[C@H]2C[C@H]2C)cc1C(=O)[O-] ZINC000516968705 392802477 /nfs/dbraw/zinc/80/24/77/392802477.db2.gz ZJDHKJLYGRKEMN-HTRCEHHLSA-N -2 3 273.310 1.221 20 0 CDADHL COC(=O)c1ccc(C(=O)N=c2[n-]oc(C)c2C)[n-]1 ZINC000452158713 393500892 /nfs/dbraw/zinc/50/08/92/393500892.db2.gz DCRVIDWULQFNFH-UHFFFAOYSA-N -2 3 263.253 1.080 20 0 CDADHL COc1ccc([O-])c([N-]S(=O)(=O)C[C@H]2CCCO2)c1 ZINC000229948547 140205018 /nfs/dbraw/zinc/20/50/18/140205018.db2.gz KXDGPBLQBBYIEJ-SNVBAGLBSA-N -2 3 287.337 1.322 20 0 CDADHL Cc1ccc(C(=O)NCCCCC(=O)[O-])c([O-])c1 ZINC000070197031 397896044 /nfs/dbraw/zinc/89/60/44/397896044.db2.gz LHILLEFAJFJRCZ-UHFFFAOYSA-N -2 3 251.282 1.685 20 0 CDADHL O=C([O-])C1(C(=O)Nc2cc(F)ccc2[O-])CCC1 ZINC000663060917 413876780 /nfs/dbraw/zinc/87/67/80/413876780.db2.gz QNOGMMISHHLBMI-UHFFFAOYSA-N -2 3 253.229 1.725 20 0 CDADHL O=C([O-])[C@@H](C(=O)Nc1ncccc1[O-])C1CCCC1 ZINC000663117474 413957777 /nfs/dbraw/zinc/95/77/77/413957777.db2.gz YFLLZNWRDKYDTE-SNVBAGLBSA-N -2 3 264.281 1.617 20 0 CDADHL COc1ccc(C(=O)N2CCCC[C@H]2CC(=O)[O-])c([O-])c1 ZINC000038026048 174011047 /nfs/dbraw/zinc/01/10/47/174011047.db2.gz FJIDWBWWGIIWLD-JTQLQIEISA-N -2 3 293.319 1.870 20 0 CDADHL Cc1cnn(C)c1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000519782711 265592388 /nfs/dbraw/zinc/59/23/88/265592388.db2.gz AUXFIJINEJRMCN-UHFFFAOYSA-N -2 3 285.300 1.374 20 0 CDADHL CCN(C(=O)c1cccc(OC)c1[O-])[C@@H](C)C(=O)[O-] ZINC000659774558 424516106 /nfs/dbraw/zinc/51/61/06/424516106.db2.gz IFQXBTXPYLMSJX-QMMMGPOBSA-N -2 3 267.281 1.336 20 0 CDADHL Cc1csc(S(=O)(=O)[N-]C2([C@H](C)C(=O)[O-])CC2)c1 ZINC000650427141 424607735 /nfs/dbraw/zinc/60/77/35/424607735.db2.gz ASVVICQKUYDWDX-MRVPVSSYSA-N -2 3 289.378 1.588 20 0 CDADHL CC(=O)c1ccc(C(=O)N2CCC(C(=O)[O-])CC2)cc1[O-] ZINC000516181666 270461390 /nfs/dbraw/zinc/46/13/90/270461390.db2.gz PUOFWSASHIDPQQ-UHFFFAOYSA-N -2 3 291.303 1.532 20 0 CDADHL CC/C=C(\F)C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001590534919 1173456201 /nfs/dbraw/zinc/45/62/01/1173456201.db2.gz VMMVFKFRKVKHLO-WMZJFQQLSA-N -2 3 277.259 1.540 20 0 CDADHL CC/C=C(\F)C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001590534919 1173456204 /nfs/dbraw/zinc/45/62/04/1173456204.db2.gz VMMVFKFRKVKHLO-WMZJFQQLSA-N -2 3 277.259 1.540 20 0 CDADHL Cc1csc(S(=O)(=O)[N-][C@@H](C)[C@H](C)C(=O)[O-])c1 ZINC000568361526 294020416 /nfs/dbraw/zinc/02/04/16/294020416.db2.gz ZOSOFAWUGJDJCA-YUMQZZPRSA-N -2 3 277.367 1.444 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)C2CC2)o1 ZINC000575049510 295091963 /nfs/dbraw/zinc/09/19/63/295091963.db2.gz DYWLMSZCMGQJEE-LDYMZIIASA-N -2 3 287.337 1.366 20 0 CDADHL COC(C)(C)CC(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001591315921 1173600789 /nfs/dbraw/zinc/60/07/89/1173600789.db2.gz ITMFGDLDYGBUSR-UHFFFAOYSA-N -2 3 291.311 1.092 20 0 CDADHL COC(C)(C)CC(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001591315921 1173600793 /nfs/dbraw/zinc/60/07/93/1173600793.db2.gz ITMFGDLDYGBUSR-UHFFFAOYSA-N -2 3 291.311 1.092 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]C[C@@H]2CC2(C)C)cc1C(=O)[O-] ZINC000575985211 317051842 /nfs/dbraw/zinc/05/18/42/317051842.db2.gz AGLIAXMYZXARRI-QMMMGPOBSA-N -2 3 287.337 1.611 20 0 CDADHL CCOC(=O)c1cc(NC(=O)c2ccc(C)cc2[O-])n[n-]1 ZINC000180936703 323223320 /nfs/dbraw/zinc/22/33/20/323223320.db2.gz BLNXOBCIPARMGA-UHFFFAOYSA-N -2 3 289.291 1.853 20 0 CDADHL O=C([O-])c1cnc(C=Cc2cccc(O)c2)[n-]c1=O ZINC000670370187 482845815 /nfs/dbraw/zinc/84/58/15/482845815.db2.gz LLAXTEIXELCKLD-PLNGDYQASA-N -2 3 258.233 1.756 20 0 CDADHL CCCc1ncc(C(=O)[N-]c2n[nH]c(CC(=O)[O-])n2)s1 ZINC000737046913 575802926 /nfs/dbraw/zinc/80/29/26/575802926.db2.gz MJCOIZYAJWITBP-UHFFFAOYSA-N -2 3 295.324 1.093 20 0 CDADHL CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])c([O-])c1 ZINC000737154813 575833232 /nfs/dbraw/zinc/83/32/32/575833232.db2.gz DIOGDQOLOAPENC-IUCAKERBSA-N -2 3 293.275 1.228 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)CCc1cccc(F)c1F ZINC001601995274 1175103499 /nfs/dbraw/zinc/10/34/99/1175103499.db2.gz NOPLLOUEOOCBBJ-UHFFFAOYSA-N -2 3 287.262 1.810 20 0 CDADHL C[C@@H](CC(=O)[O-])SCCC[N-]C(=O)C(F)(F)F ZINC000827386601 601902206 /nfs/dbraw/zinc/90/22/06/601902206.db2.gz VXCHWCRELTWVMA-LURJTMIESA-N -2 3 273.276 1.651 20 0 CDADHL CC(C)N(C)S(=O)(=O)[N-]c1cc(C(=O)[O-])cs1 ZINC000826930142 602115157 /nfs/dbraw/zinc/11/51/57/602115157.db2.gz FWQPNSUQODMWTG-UHFFFAOYSA-N -2 3 278.355 1.443 20 0 CDADHL CC(C)(CC(=O)[O-])CC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000833456077 605680051 /nfs/dbraw/zinc/68/00/51/605680051.db2.gz CVVCSPRABAPQAE-UHFFFAOYSA-N -2 3 292.295 1.894 20 0 CDADHL CC[C@H]([N-]S(=O)(=O)c1cnc(Cl)c(F)c1)C(=O)[O-] ZINC000843304393 618702575 /nfs/dbraw/zinc/70/25/75/618702575.db2.gz GMMCBTXPISPVDI-ZETCQYMHSA-N -2 3 296.707 1.016 20 0 CDADHL CC(=O)c1ccc(C(=O)N2CCC[C@H]2CC(=O)[O-])cc1[O-] ZINC000909741095 628657477 /nfs/dbraw/zinc/65/74/77/628657477.db2.gz YFEBMXSLCRCJNU-NSHDSACASA-N -2 3 291.303 1.674 20 0 CDADHL CC[C@H](C(=O)[O-])C(=O)NCc1ccc([O-])c(F)c1 ZINC000909922267 628775772 /nfs/dbraw/zinc/77/57/72/628775772.db2.gz FKJGKNBBTKIYEF-QMMMGPOBSA-N -2 3 255.245 1.258 20 0 CDADHL CCCN(C(=O)Cc1ccc([O-])c(F)c1)[C@@H](C)C(=O)[O-] ZINC000911718137 629434167 /nfs/dbraw/zinc/43/41/67/629434167.db2.gz QJSPULWLIZDMQS-VIFPVBQESA-N -2 3 283.299 1.786 20 0 CDADHL Cc1cccc(CO[N-]C(=O)CCCC(=O)[O-])n1 ZINC000911820961 629549179 /nfs/dbraw/zinc/54/91/79/629549179.db2.gz GAEKYYIYBFPNRM-UHFFFAOYSA-N -2 3 252.270 1.193 20 0 CDADHL C[C@@H](Cc1ccco1)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001604234498 1163131418 /nfs/dbraw/zinc/13/14/18/1163131418.db2.gz QMVFROGTCCOPEK-QMMMGPOBSA-N -2 3 299.304 1.480 20 0 CDADHL Cc1ccc(-c2cc(C(=O)O[C@@H](C)CC(=O)[O-])n[n-]2)o1 ZINC001607715644 1164278332 /nfs/dbraw/zinc/27/83/32/1164278332.db2.gz SJBBMHDGCQKEBH-QMMMGPOBSA-N -2 3 278.264 1.998 20 0 CDADHL O=C([O-])[C@@H](Cc1ccncc1)NC(=O)c1ccccc1[O-] ZINC001608403137 1164508814 /nfs/dbraw/zinc/50/88/14/1164508814.db2.gz ZTWTWZHLUQXQRO-GFCCVEGCSA-N -2 3 286.287 1.213 20 0 CDADHL O=C([O-])c1ccc(C(=O)N2CCCc3c(=O)[n-]cnc32)cc1 ZINC001608872913 1164668179 /nfs/dbraw/zinc/66/81/79/1164668179.db2.gz XSHDXWPXNWPBJB-UHFFFAOYSA-N -2 3 299.286 1.473 20 0 CDADHL O=C([O-])c1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c[nH]1 ZINC001610713379 1165411052 /nfs/dbraw/zinc/41/10/52/1165411052.db2.gz IYJPRRWWLVENDX-UHFFFAOYSA-N -2 3 289.173 1.102 20 0 CDADHL C[C@]1(C(=O)[O-])CCC[C@@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC001590071830 1173246448 /nfs/dbraw/zinc/24/64/48/1173246448.db2.gz YTALUQBORRJJAJ-ZANVPECISA-N -2 3 288.311 1.317 20 0 CDADHL Cc1cc(NCCC(C)(C)C(=O)[O-])nc(-c2nnn[n-]2)c1 ZINC001592047362 1173786462 /nfs/dbraw/zinc/78/64/62/1173786462.db2.gz RSDZSRJMUSHGPG-UHFFFAOYSA-N -2 3 290.327 1.483 20 0 CDADHL O=C([O-])[C@H](CNc1cnccc1-c1nnn[n-]1)C1CCC1 ZINC001593277090 1174045885 /nfs/dbraw/zinc/04/58/85/1174045885.db2.gz YROGLIMGNNAEHA-SNVBAGLBSA-N -2 3 288.311 1.175 20 0 CDADHL O=C([O-])[C@H](CNc1cnccc1-c1nn[n-]n1)C1CCC1 ZINC001593277090 1174045891 /nfs/dbraw/zinc/04/58/91/1174045891.db2.gz YROGLIMGNNAEHA-SNVBAGLBSA-N -2 3 288.311 1.175 20 0 CDADHL O=C([O-])c1cc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)c[nH]1 ZINC001601629048 1174916270 /nfs/dbraw/zinc/91/62/70/1174916270.db2.gz WLBAMORCPSTAOR-UHFFFAOYSA-N -2 3 286.247 1.547 20 0 CDADHL O=C([O-])c1ccsc1NC(=O)c1cc(=O)[n-]cn1 ZINC001601635500 1174918005 /nfs/dbraw/zinc/91/80/05/1174918005.db2.gz SQJYGTSFWXSKDO-UHFFFAOYSA-N -2 3 265.250 1.194 20 0 CDADHL O=C([O-])c1nsc([N-]C(=O)c2ccc(F)cc2F)n1 ZINC001602586368 1175309606 /nfs/dbraw/zinc/30/96/06/1175309606.db2.gz COAJBFWBFWOFEU-UHFFFAOYSA-N -2 3 285.231 1.767 20 0 CDADHL O=C([O-])c1coc(/C=C2\C(=O)[N-]C(=O)c3ccccc32)c1 ZINC001602655573 1175339730 /nfs/dbraw/zinc/33/97/30/1175339730.db2.gz FLMFUJUTWDXTLP-SDQBBNPISA-N -2 3 283.239 1.788 20 0 CDADHL CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nc1)C(=O)[O-] ZINC001603262618 1175528572 /nfs/dbraw/zinc/52/85/72/1175528572.db2.gz GVXYVVRMFCUIHL-SECBINFHSA-N -2 3 290.327 1.421 20 0 CDADHL CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nc1)C(=O)[O-] ZINC001603262618 1175528577 /nfs/dbraw/zinc/52/85/77/1175528577.db2.gz GVXYVVRMFCUIHL-SECBINFHSA-N -2 3 290.327 1.421 20 0 CDADHL CC[C@@H](C(=O)[O-])N(C)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001603979046 1175704144 /nfs/dbraw/zinc/70/41/44/1175704144.db2.gz NWUVYTJWQKFCFZ-VIFPVBQESA-N -2 3 297.265 1.444 20 0 CDADHL CON(C(=O)c1ccccc1[O-])[C@H](C)CC(=O)[O-] ZINC001606988313 1164052844 /nfs/dbraw/zinc/05/28/44/1164052844.db2.gz RVQHHEDWMCXTFS-MRVPVSSYSA-N -2 3 253.254 1.259 20 0 CDADHL O=C([O-])[C@H](NC(=O)c1ccccc1[O-])c1cccnc1 ZINC001608387426 1164503388 /nfs/dbraw/zinc/50/33/88/1164503388.db2.gz JGPAGIQWRHWTGC-GFCCVEGCSA-N -2 3 272.260 1.343 20 0 CDADHL CN(CCC(=O)[O-])C(=O)c1cc([O-])ccc1Cl ZINC000234288524 775762832 /nfs/dbraw/zinc/76/28/32/775762832.db2.gz LGHRZXVRZNEOQG-UHFFFAOYSA-N -2 3 257.673 1.592 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@H]2C=CCC2)c1 ZINC000711718738 774066755 /nfs/dbraw/zinc/06/67/55/774066755.db2.gz CIUZOUYVRDNKOL-QMMMGPOBSA-N -2 3 271.294 1.222 20 0 CDADHL CC(C)[C@H](NC(=O)NCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000780686629 776647839 /nfs/dbraw/zinc/64/78/39/776647839.db2.gz NLGBDGRZCFABFV-NSHDSACASA-N -2 3 284.287 1.440 20 0 CDADHL O=C(Nc1nc(Cl)ccc1[O-])c1cncc([O-])c1 ZINC000803172569 777817746 /nfs/dbraw/zinc/81/77/46/777817746.db2.gz REYNZZORPPYCPC-UHFFFAOYSA-N -2 3 265.656 1.794 20 0 CDADHL O=C([N-]OC/C=C/Cl)c1cc(=O)[n-]c(C2CC2)n1 ZINC000848104689 779583137 /nfs/dbraw/zinc/58/31/37/779583137.db2.gz ANVNUOFCCBEHIA-DAFODLJHSA-N -2 3 269.688 1.474 20 0 CDADHL NC(=O)c1ccc(Nc2cncc(C(=O)[O-])c2)cc1[O-] ZINC001175842755 913804256 /nfs/dbraw/zinc/80/42/56/913804256.db2.gz BWBORZUPAVMWFK-UHFFFAOYSA-N -2 3 273.248 1.328 20 0 CDADHL COc1cccc([C@@H](C)Oc2nc(=O)[n-]c(=O)[n-]2)c1 ZINC001227571109 906378137 /nfs/dbraw/zinc/37/81/37/906378137.db2.gz PVRIZCZQNGMJFZ-SSDOTTSWSA-N -2 3 263.253 1.431 20 0 CDADHL COC(=O)[C@H](OCCP(=O)([O-])[O-])c1ccccc1F ZINC001224603927 909916324 /nfs/dbraw/zinc/91/63/24/909916324.db2.gz CQTGPLVEVIUOGI-SNVBAGLBSA-N -2 3 292.199 1.234 20 0 CDADHL CC(C)CCOC(=O)[C@@H](C)OCCP(=O)([O-])[O-] ZINC001224602926 909921334 /nfs/dbraw/zinc/92/13/34/909921334.db2.gz UFYQCHXEEIQLGQ-SECBINFHSA-N -2 3 268.246 1.159 20 0 CDADHL O=P([O-])([O-])OCCNc1ccc2c(c1)[N-]C(=S)C2 ZINC001168596747 919378402 /nfs/dbraw/zinc/37/84/02/919378402.db2.gz ZIRVTPPJSPLZDY-UHFFFAOYSA-N -3 3 288.265 1.503 20 0 CDADHL COc1ccsc1C(=O)NCCCCP(=O)([O-])[O-] ZINC001191767134 922727581 /nfs/dbraw/zinc/72/75/81/922727581.db2.gz ZYCPCEXBCRLWMF-UHFFFAOYSA-N -2 3 293.281 1.444 20 0 CDADHL O=S(=O)([N-]C1=CC=C[CH]1)c1cnccc1Cl ZINC001192921352 923345270 /nfs/dbraw/zinc/34/52/70/923345270.db2.gz NLSXOJYWGOPMCM-UHFFFAOYSA-N -2 3 255.706 1.671 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])Oc1ccc(F)cc1 ZINC001195056534 924445940 /nfs/dbraw/zinc/44/59/40/924445940.db2.gz MHMJNAAURPQTHX-UHFFFAOYSA-N -2 3 291.215 1.872 20 0 CDADHL C=CS(=O)(=O)[N-]c1cc([O-])ccc1C(=O)OC ZINC001198620380 925494103 /nfs/dbraw/zinc/49/41/03/925494103.db2.gz HFHYHRFWPBIMSZ-UHFFFAOYSA-N -2 3 257.267 1.064 20 0 CDADHL O=Nc1c(=O)[n-]c(=O)[nH]c1Nc1ccccc1C(=O)[O-] ZINC001210966431 940724123 /nfs/dbraw/zinc/72/41/23/940724123.db2.gz LUPOUXPOINWJBX-UHFFFAOYSA-N -2 3 276.208 1.728 20 0 CDADHL CCC[C@@H](OCCCCP(=O)([O-])[O-])C(=O)OCC ZINC001225022419 941816405 /nfs/dbraw/zinc/81/64/05/941816405.db2.gz OWGOIKRPVWRFKQ-SNVBAGLBSA-N -2 3 282.273 1.693 20 0 CDADHL O=c1nc(O[C@@H](c2ccccc2)c2ccccn2)[n-]c(=O)[n-]1 ZINC001227571321 942190964 /nfs/dbraw/zinc/19/09/64/942190964.db2.gz RQZRRIVNWZGAEH-LBPRGKRZSA-N -2 3 296.286 1.846 20 0 CDADHL O=c1nc2cn[n-]c2c(OC[C@H]2CCc3ccccc3O2)[n-]1 ZINC001233934012 943693995 /nfs/dbraw/zinc/69/39/95/943693995.db2.gz GAYMGHIQDFZGND-SNVBAGLBSA-N -2 3 298.302 1.419 20 0 CDADHL COCCS(=O)(=O)[N-]c1c([O-])cccc1C(F)(F)F ZINC001259971585 945765982 /nfs/dbraw/zinc/76/59/82/945765982.db2.gz BFQPYWHHNPUHOK-UHFFFAOYSA-N -2 3 299.270 1.799 20 0 CDADHL COC(=O)c1nc2nc(-c3cncc(C(=O)[O-])c3)ccc2[n-]1 ZINC001241802000 946476450 /nfs/dbraw/zinc/47/64/50/946476450.db2.gz GICPQDPVWSCKHD-UHFFFAOYSA-N -2 3 298.258 1.505 20 0 CDADHL COC(=O)c1nc2ccc(-c3cncc(C(=O)[O-])c3)[n-]c-2n1 ZINC001241802000 946476454 /nfs/dbraw/zinc/47/64/54/946476454.db2.gz GICPQDPVWSCKHD-UHFFFAOYSA-N -2 3 298.258 1.505 20 0 CDADHL Cc1cc2c(c(-c3ccc(F)cc3[O-])n1)C(=O)[N-]C2=O ZINC001242218307 946639742 /nfs/dbraw/zinc/63/97/42/946639742.db2.gz RIBJBFVWVKAIHF-UHFFFAOYSA-N -2 3 272.235 1.785 20 0 CDADHL O=C([O-])c1cnc(F)c(-c2cccc(-c3nnn[n-]3)c2)c1 ZINC001244762720 947465222 /nfs/dbraw/zinc/46/52/22/947465222.db2.gz CTVMUXRHLOOLIP-UHFFFAOYSA-N -2 3 285.238 1.766 20 0 CDADHL O=C([O-])c1cnc(F)c(-c2cccc(-c3nn[n-]n3)c2)c1 ZINC001244762720 947465226 /nfs/dbraw/zinc/46/52/26/947465226.db2.gz CTVMUXRHLOOLIP-UHFFFAOYSA-N -2 3 285.238 1.766 20 0 CDADHL CCOc1nc(NC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)n[n-]1 ZINC001593060531 951395803 /nfs/dbraw/zinc/39/58/03/951395803.db2.gz JEHDSPREXWVKDV-UHFFFAOYSA-N -2 3 296.327 1.279 20 0 CDADHL CCOc1n[n-]c(NC(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)n1 ZINC001593060531 951395815 /nfs/dbraw/zinc/39/58/15/951395815.db2.gz JEHDSPREXWVKDV-UHFFFAOYSA-N -2 3 296.327 1.279 20 0 CDADHL CCOc1nc(NC(=O)[C@H](C(=O)[O-])C2CCCC2)n[n-]1 ZINC001593060723 951395833 /nfs/dbraw/zinc/39/58/33/951395833.db2.gz NDKVRFVLNJXAKT-MRVPVSSYSA-N -2 3 282.300 1.033 20 0 CDADHL CCOc1n[n-]c(NC(=O)[C@H](C(=O)[O-])C2CCCC2)n1 ZINC001593060723 951395841 /nfs/dbraw/zinc/39/58/41/951395841.db2.gz NDKVRFVLNJXAKT-MRVPVSSYSA-N -2 3 282.300 1.033 20 0 CDADHL O=C([O-])CCCCNC(=O)c1cc(F)cc2n[n-]nc21 ZINC001595044784 951438319 /nfs/dbraw/zinc/43/83/19/951438319.db2.gz JQMDZQXISKQDDX-UHFFFAOYSA-N -2 3 280.259 1.082 20 0 CDADHL CCc1cccc(C(=O)N(CC)[C@H](C)C(=O)[O-])c1[O-] ZINC001593640188 953638237 /nfs/dbraw/zinc/63/82/37/953638237.db2.gz SIQSLNGWUUYFBW-SECBINFHSA-N -2 3 265.309 1.890 20 0 CDADHL CC(C)OC(=O)c1cc(NC(=O)[C@@H](C(=O)[O-])C2CC2)[n-]n1 ZINC001603074707 972141612 /nfs/dbraw/zinc/14/16/12/972141612.db2.gz VLPIGHJXEDATLX-JTQLQIEISA-N -2 3 295.295 1.024 20 0 CDADHL CC(C)OC(=O)c1cc(NC(=O)[C@@H](C(=O)[O-])C2CC2)n[n-]1 ZINC001603074707 972141615 /nfs/dbraw/zinc/14/16/15/972141615.db2.gz VLPIGHJXEDATLX-JTQLQIEISA-N -2 3 295.295 1.024 20 0 CDADHL O=C([O-])c1ccc(/C=C/C(=O)[N-]OCC(F)(F)F)o1 ZINC001594672324 956623647 /nfs/dbraw/zinc/62/36/47/956623647.db2.gz GSFGNSIFGAKBGC-DUXPYHPUSA-N -2 3 279.170 1.601 20 0 CDADHL Cc1ccc(-c2nc(NC(=O)[C@@H](C(=O)[O-])C3CC3)n[n-]2)o1 ZINC001594337235 958274011 /nfs/dbraw/zinc/27/40/11/958274011.db2.gz CMGMZRRSFVSXKO-VIFPVBQESA-N -2 3 290.279 1.422 20 0 CDADHL C[C@@H](C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])C(C)(C)C ZINC000125229698 958557205 /nfs/dbraw/zinc/55/72/05/958557205.db2.gz YMPYZMBTCISEAU-ZETCQYMHSA-N -2 3 289.357 1.068 20 0 CDADHL C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1c([O-])cccc1O ZINC000232429754 960268640 /nfs/dbraw/zinc/26/86/40/960268640.db2.gz BDSXZPDIUJHTQN-HTQZYQBOSA-N -2 3 265.265 1.033 20 0 CDADHL O=C([O-])c1ccccc1C(=O)Nc1ncccc1[O-] ZINC001570980434 963085325 /nfs/dbraw/zinc/08/53/25/963085325.db2.gz UBOINBLLXVHHLY-UHFFFAOYSA-N -2 3 258.233 1.738 20 0 CDADHL Cc1[n-][nH]c(=O)c1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001450481115 967726548 /nfs/dbraw/zinc/72/65/48/967726548.db2.gz GVXCJRNHVYVYRJ-UHFFFAOYSA-N -2 3 275.268 1.049 20 0 CDADHL CC[C@@](COC)(NC(=O)c1ccc(C)cc1[O-])C(=O)[O-] ZINC000392876479 972538347 /nfs/dbraw/zinc/53/83/47/972538347.db2.gz MDTYROICMIMJTK-AWEZNQCLSA-N -2 3 281.308 1.310 20 0 CDADHL CO[C@@H]1CN(C(=O)c2ccccc2[O-])[C@](C)(C(=O)[O-])C1 ZINC000702725717 977106749 /nfs/dbraw/zinc/10/67/49/977106749.db2.gz CPKLUWBYHCNUHY-XPTSAGLGSA-N -2 3 279.292 1.096 20 0 CDADHL C[C@H](CC(=O)[O-])C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC001592365457 977865858 /nfs/dbraw/zinc/86/58/58/977865858.db2.gz UYMYEEVJPGCDCT-SSDOTTSWSA-N -2 3 280.280 1.214 20 0 CDADHL C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1CC(=O)[O-] ZINC000722446378 978142182 /nfs/dbraw/zinc/14/21/82/978142182.db2.gz YEJVSOBSSIILLQ-NXEZZACHSA-N -2 3 263.293 1.575 20 0 CDADHL C[C@@](CCF)(NC(=O)c1cc2c(cc1[O-])OCO2)C(=O)[O-] ZINC001592497999 978305601 /nfs/dbraw/zinc/30/56/01/978305601.db2.gz LTWYLGVVCHVVDG-ZDUSSCGKSA-N -2 3 299.254 1.054 20 0 CDADHL CCc1ccc(C(=O)N[C@](C)(COC)CC(=O)[O-])c([O-])c1 ZINC001597500026 988052302 /nfs/dbraw/zinc/05/23/02/988052302.db2.gz CFSBBFILVMJGQV-HNNXBMFYSA-N -2 3 295.335 1.564 20 0 CDADHL CSc1ccc([O-])c(C(=O)N[C@H](CCF)C(=O)[O-])c1 ZINC001599819695 988489708 /nfs/dbraw/zinc/48/97/08/988489708.db2.gz DJZXIUFDJKWUFF-SECBINFHSA-N -2 3 287.312 1.657 20 0 CDADHL CSc1ccccc1CC(=O)[N-]OCCCC(=O)[O-] ZINC001599823749 988560452 /nfs/dbraw/zinc/56/04/52/988560452.db2.gz BUSHZPBWMUVFHT-UHFFFAOYSA-N -2 3 283.349 1.864 20 0 CDADHL C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1cc(C(=O)[O-])no1 ZINC001594297276 999146656 /nfs/dbraw/zinc/14/66/56/999146656.db2.gz UQMQKCWZAFOMQU-YUMQZZPRSA-N -2 3 268.269 1.058 20 0 CDADHL C[C@H]1CCN(Cc2cc(C(=O)[O-])co2)C[C@@H]1C(=O)[O-] ZINC001594423371 999580059 /nfs/dbraw/zinc/58/00/59/999580059.db2.gz UYJKYMPJJNBIML-KWQFWETISA-N -2 3 267.281 1.520 20 0 CDADHL COc1cc([N-]S(=O)(=O)C2CC2)c(F)cc1C(=O)[O-] ZINC000629341844 361846786 /nfs/dbraw/zinc/84/67/86/361846786.db2.gz NXISUYIOXYNWNH-UHFFFAOYSA-N -2 3 289.284 1.437 20 0 CDADHL O=C([O-])[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000085326781 179018208 /nfs/dbraw/zinc/01/82/08/179018208.db2.gz FARDSIWZXQTLAT-WPRPVWTQSA-N -2 3 287.312 1.357 20 0 CDADHL CCC[C@H](C[N-]S(=O)(=O)c1cnc(C)s1)C(=O)[O-] ZINC000230095936 346546820 /nfs/dbraw/zinc/54/68/20/346546820.db2.gz BBUQNURDDDWAQL-MRVPVSSYSA-N -2 3 292.382 1.231 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](C)C(=O)[O-])c(F)cc1F ZINC000274900422 365848789 /nfs/dbraw/zinc/84/87/89/365848789.db2.gz HZSNTTJMVAEALJ-SSDOTTSWSA-N -2 3 293.291 1.272 20 0 CDADHL O=C(c1cccc([O-])c1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000614387965 348097099 /nfs/dbraw/zinc/09/70/99/348097099.db2.gz VMCOBFNEFSPWSA-JTQLQIEISA-N -2 3 289.291 1.501 20 0 CDADHL C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000131758149 187586588 /nfs/dbraw/zinc/58/65/88/187586588.db2.gz GIOLGGKYNYCGCC-VXNVDRBHSA-N -2 3 287.312 1.458 20 0 CDADHL COc1ccc(C(=O)N2CCC[C@@H]2C(=O)[O-])c([O-])c1 ZINC000019509498 356489016 /nfs/dbraw/zinc/48/90/16/356489016.db2.gz GXXGSKQLPANXPL-SNVBAGLBSA-N -2 3 265.265 1.090 20 0 CDADHL Cc1ccc([O-])c(C(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000019274967 356478984 /nfs/dbraw/zinc/47/89/84/356478984.db2.gz KKSYWSDGMFVQEM-JTQLQIEISA-N -2 3 263.293 1.637 20 0 CDADHL CCC[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000036838149 356886194 /nfs/dbraw/zinc/88/61/94/356886194.db2.gz DBRAJIBNBOFAPS-SECBINFHSA-N -2 3 275.301 1.357 20 0 CDADHL COc1ccc([N-]S(=O)(=O)CCOC(C)C)c([O-])c1 ZINC000223873880 538807828 /nfs/dbraw/zinc/80/78/28/538807828.db2.gz MMDVUUNDZWEYLB-UHFFFAOYSA-N -2 3 289.353 1.568 20 0 CDADHL CC[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000388052023 357487943 /nfs/dbraw/zinc/48/79/43/357487943.db2.gz RZSGVVURGMDAME-SFYZADRCSA-N -2 3 289.378 1.771 20 0 CDADHL C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccccc1F ZINC000070312052 357719246 /nfs/dbraw/zinc/71/92/46/357719246.db2.gz MBOJVLHBJFBKHO-QMMMGPOBSA-N -2 3 275.301 1.357 20 0 CDADHL O=C([O-])[C@@H]1CCCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000263180039 359240106 /nfs/dbraw/zinc/24/01/06/359240106.db2.gz FDRNRFULGRQAHY-SNVBAGLBSA-N -2 3 296.298 1.538 20 0 CDADHL Cc1nc(C=Cc2cncs2)[n-]c(=O)c1CC(=O)[O-] ZINC000347413456 359391818 /nfs/dbraw/zinc/39/18/18/359391818.db2.gz FEGZCUSTQRXASD-IHWYPQMZSA-N -2 3 277.305 1.745 20 0 CDADHL O=S(=O)(C[C@@H]1CCCCO1)[N-]c1cc(F)ccc1[O-] ZINC000176580429 189000633 /nfs/dbraw/zinc/00/06/33/189000633.db2.gz QQGUTPVTFLDKRY-JTQLQIEISA-N -2 3 289.328 1.842 20 0 CDADHL COc1ccc(C(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)c([O-])c1 ZINC000436796876 361575855 /nfs/dbraw/zinc/57/58/55/361575855.db2.gz LJIWSCZQMXAPRD-UHFFFAOYSA-N -2 3 291.263 1.163 20 0 CDADHL Cc1cc(Cl)cc([N-]S(=O)(=O)N(C)C)c1[O-] ZINC000135067036 361684863 /nfs/dbraw/zinc/68/48/63/361684863.db2.gz FVYVSPUKQIRTKX-UHFFFAOYSA-N -2 3 264.734 1.572 20 0 CDADHL CC[C@H](C[N-]S(=O)(=O)c1sccc1OC)C(=O)[O-] ZINC000681572034 482912961 /nfs/dbraw/zinc/91/29/61/482912961.db2.gz QNDMVRFRHJSROS-SSDOTTSWSA-N -2 3 293.366 1.146 20 0 CDADHL C[C@@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)C(=O)[O-] ZINC000340453577 370966587 /nfs/dbraw/zinc/96/65/87/370966587.db2.gz FXCLSGXQBOQPOR-RXMQYKEDSA-N -2 3 281.692 1.231 20 0 CDADHL CC(C)[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccco1 ZINC000566182740 370637181 /nfs/dbraw/zinc/63/71/81/370637181.db2.gz OHEBUPFYGRPNRP-LLVKDONJSA-N -2 3 275.326 1.447 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]C2CCCCCC2)c1 ZINC000572874633 371327753 /nfs/dbraw/zinc/32/77/53/371327753.db2.gz LWDNBPYFTVCMBD-UHFFFAOYSA-N -2 3 287.337 1.979 20 0 CDADHL C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC000130971467 375355301 /nfs/dbraw/zinc/35/53/01/375355301.db2.gz ARVNYGZHYAVXEP-CBAPKCEASA-N -2 3 289.378 1.913 20 0 CDADHL Cc1ccc(-c2[n-][nH]c(=NC(=O)c3cn[n-]c3)c2C)o1 ZINC000434441605 248106731 /nfs/dbraw/zinc/10/67/31/248106731.db2.gz RJNBMMQSCNRRFA-UHFFFAOYSA-N -2 3 271.280 1.684 20 0 CDADHL O=C([O-])[C@@H](CC1CC1)[N-]S(=O)(=O)c1ccccc1F ZINC000287415960 378272164 /nfs/dbraw/zinc/27/21/64/378272164.db2.gz FQKBRQZFEYZQHF-SNVBAGLBSA-N -2 3 287.312 1.357 20 0 CDADHL CCSCc1cc(C(=O)[N-]c2nc(CC)n[n-]2)no1 ZINC000186137394 140055688 /nfs/dbraw/zinc/05/56/88/140055688.db2.gz DPWDDYUBNDRYBP-UHFFFAOYSA-N -2 3 281.341 1.861 20 0 CDADHL O=S(=O)([N-]c1cccc([O-])c1F)c1ncc[nH]1 ZINC000647923972 413045428 /nfs/dbraw/zinc/04/54/28/413045428.db2.gz OFNODWFFSMDTFO-UHFFFAOYSA-N -2 3 257.246 1.055 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]CCCC(=O)[O-])sc1Cl ZINC000231806421 130920117 /nfs/dbraw/zinc/92/01/17/130920117.db2.gz SAIGQSPLXJNJOJ-UHFFFAOYSA-N -2 3 297.785 1.853 20 0 CDADHL C[C@@H]1[C@@H](C(=O)N=c2ccc([O-])n[n-]2)CCN1c1ccccc1 ZINC000355877725 157273721 /nfs/dbraw/zinc/27/37/21/157273721.db2.gz GHRPLEMZPYJBCP-YPMHNXCESA-N -2 3 298.346 1.458 20 0 CDADHL Cc1csc(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])c1 ZINC000263219556 165052774 /nfs/dbraw/zinc/05/27/74/165052774.db2.gz QKDBHNYTWGEYNN-VIFPVBQESA-N -2 3 291.394 1.834 20 0 CDADHL C[C@]([N-]S(=O)(=O)c1ccccc1F)(C(=O)[O-])C1CC1 ZINC000037367387 173156966 /nfs/dbraw/zinc/15/69/66/173156966.db2.gz ZRPCRNMJVDOWAM-GFCCVEGCSA-N -2 3 287.312 1.357 20 0 CDADHL CC[C@H](C(=O)[O-])N(C)C(=O)c1cccc(C)c1[O-] ZINC000044612317 175217395 /nfs/dbraw/zinc/21/73/95/175217395.db2.gz IITUXCBQNHKDNL-SNVBAGLBSA-N -2 3 251.282 1.636 20 0 CDADHL CC(C)OCCS(=O)(=O)[N-]c1cccc([O-])c1F ZINC000127892992 279547057 /nfs/dbraw/zinc/54/70/57/279547057.db2.gz NUPFVMCDHJRDNW-UHFFFAOYSA-N -2 3 277.317 1.698 20 0 CDADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2C=C[C@@H](C(=O)[O-])C2)c1 ZINC000092181554 289051681 /nfs/dbraw/zinc/05/16/81/289051681.db2.gz HAFRGNLJICIWFI-NXEZZACHSA-N -2 3 299.323 1.442 20 0 CDADHL CCc1ncc(S(=O)(=O)[N-]C[C@H](C)CC(=O)[O-])s1 ZINC000548592207 289902471 /nfs/dbraw/zinc/90/24/71/289902471.db2.gz JSFDMKJEFREPHG-SSDOTTSWSA-N -2 3 292.382 1.095 20 0 CDADHL O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc([O-])c(F)c1 ZINC000681021612 483049887 /nfs/dbraw/zinc/04/98/87/483049887.db2.gz PMKJMSQJJHQKAK-UHFFFAOYSA-N -2 3 290.176 1.921 20 0 CDADHL O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc([O-])c(F)c1 ZINC000681021612 483049891 /nfs/dbraw/zinc/04/98/91/483049891.db2.gz PMKJMSQJJHQKAK-UHFFFAOYSA-N -2 3 290.176 1.921 20 0 CDADHL O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc([O-])c(F)c1 ZINC000681021612 483049897 /nfs/dbraw/zinc/04/98/97/483049897.db2.gz PMKJMSQJJHQKAK-UHFFFAOYSA-N -2 3 290.176 1.921 20 0 CDADHL CC1N=NC(C(=O)Nc2ccc([O-])cc2F)=C1[O-] ZINC000679920717 483474563 /nfs/dbraw/zinc/47/45/63/483474563.db2.gz ZLAJLTVNUVKZIU-UHFFFAOYSA-N -2 3 251.217 1.521 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]C23CCC(CC2)C3)oc1C(=O)[O-] ZINC001600299055 1174440765 /nfs/dbraw/zinc/44/07/65/1174440765.db2.gz RENDVUMEZRIHIW-UHFFFAOYSA-N -2 3 299.348 1.897 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])cn2)o1 ZINC001600481445 1174487885 /nfs/dbraw/zinc/48/78/85/1174487885.db2.gz WCGDAHIJEWWIPR-UHFFFAOYSA-N -2 3 296.304 1.160 20 0 CDADHL Cc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)c([O-])c1C ZINC000738507319 576084929 /nfs/dbraw/zinc/08/49/29/576084929.db2.gz AYPULELHVNUOHT-NSHDSACASA-N -2 3 277.320 1.946 20 0 CDADHL CC(C)[C@@H](CNC(=O)c1ccc(N)cc1[O-])C(=O)[O-] ZINC000763079324 576710606 /nfs/dbraw/zinc/71/06/06/576710606.db2.gz DTIZFZLBCGJWJH-SNVBAGLBSA-N -2 3 266.297 1.061 20 0 CDADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccncc1 ZINC000312233064 600101731 /nfs/dbraw/zinc/10/17/31/600101731.db2.gz FBHBONYEHWBXQT-UHFFFAOYSA-N -2 3 292.316 1.889 20 0 CDADHL CCc1ccc([O-])c(C(=O)N2CC[C@](F)(C(=O)[O-])C2)c1 ZINC000830254055 601758866 /nfs/dbraw/zinc/75/88/66/601758866.db2.gz SKLVGNUJJHPYEH-CQSZACIVSA-N -2 3 281.283 1.593 20 0 CDADHL CCOC(=O)c1ccc(NC(=O)[C@H](C)CC(=O)[O-])c([O-])c1 ZINC000829881622 602299089 /nfs/dbraw/zinc/29/90/89/602299089.db2.gz PUVYIPHAJHVBPV-MRVPVSSYSA-N -2 3 295.291 1.618 20 0 CDADHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]CCCF)c1 ZINC000310786482 604654620 /nfs/dbraw/zinc/65/46/20/604654620.db2.gz SVANIFUAQVLMDT-UHFFFAOYSA-N -2 3 279.264 1.162 20 0 CDADHL CC(C)C([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(C)C ZINC000833470835 605210636 /nfs/dbraw/zinc/21/06/36/605210636.db2.gz MNTZQKMAUNSQAJ-UHFFFAOYSA-N -2 3 289.353 1.937 20 0 CDADHL O=C([O-])C[C@@H]1CCCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000909493818 619401599 /nfs/dbraw/zinc/40/15/99/619401599.db2.gz HZHISUZZKTYZNX-NSHDSACASA-N -2 3 295.310 1.930 20 0 CDADHL C[C@H](CN(C)C(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909153610 628535076 /nfs/dbraw/zinc/53/50/76/628535076.db2.gz FDVOQJGEFCMGFK-MRVPVSSYSA-N -2 3 269.272 1.253 20 0 CDADHL CC1(C(=O)[O-])CN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC000910058180 628850654 /nfs/dbraw/zinc/85/06/54/628850654.db2.gz MFPJZVLFEXONHO-UHFFFAOYSA-N -2 3 267.256 1.007 20 0 CDADHL O=C([O-])C12CCC(C(=O)[N-]OCC(F)(F)F)(CC1)C2 ZINC000911805831 629536298 /nfs/dbraw/zinc/53/62/98/629536298.db2.gz NIXCZVKBZGQNFB-UHFFFAOYSA-N -2 3 281.230 1.632 20 0 CDADHL CCCCOC[C@H](C)OC[C@H](C)OCCP(=O)([O-])[O-] ZINC001224601751 1160779412 /nfs/dbraw/zinc/77/94/12/1160779412.db2.gz KLFWIFFPJGFZPX-RYUDHWBXSA-N -2 3 298.316 1.791 20 0 CDADHL COc1cccc([O-])c1C(=O)N[C@@H](C)/C=C/C(=O)[O-] ZINC001607326343 1164149676 /nfs/dbraw/zinc/14/96/76/1164149676.db2.gz FMCUGKIZGYMPOV-CZEYKFRCSA-N -2 3 265.265 1.160 20 0 CDADHL Cc1cccc([O-])c1C(=O)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001607858366 1164314530 /nfs/dbraw/zinc/31/45/30/1164314530.db2.gz SCNMPHMUJHPZIX-KOLCDFICSA-N -2 3 279.292 1.015 20 0 CDADHL Cc1cc(Nc2c(N)[nH]c(=O)[n-]c2=O)cc(C)c1C(=O)[O-] ZINC001216307338 1167370552 /nfs/dbraw/zinc/37/05/52/1167370552.db2.gz BFBBTRPAESHKKV-UHFFFAOYSA-N -2 3 290.279 1.529 20 0 CDADHL CC[C@H](C(=O)[O-])N(C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001590371158 1173376426 /nfs/dbraw/zinc/37/64/26/1173376426.db2.gz SABQAEWAWUILSQ-SNVBAGLBSA-N -2 3 295.730 1.820 20 0 CDADHL Cc1nc(-c2nn[n-]n2)c(-n2[n-]c3c(c2=O)CCCC3)o1 ZINC001592336987 1173860082 /nfs/dbraw/zinc/86/00/82/1173860082.db2.gz LDOXXSDXBPNXBO-SSDOTTSWSA-N -2 3 287.283 1.056 20 0 CDADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c(=O)[nH]1 ZINC001600463471 1174481038 /nfs/dbraw/zinc/48/10/38/1174481038.db2.gz CJDXQKHIQUXNDG-UHFFFAOYSA-N -2 3 298.276 1.188 20 0 CDADHL Cn1c(C(=O)[O-])ccc1C(=O)NCc1ccc([O-])c(F)c1 ZINC001600904494 1174657621 /nfs/dbraw/zinc/65/76/21/1174657621.db2.gz YFLUYEYNUNTLBJ-UHFFFAOYSA-N -2 3 292.266 1.498 20 0 CDADHL O=C([O-])[C@H]([N-]C(=O)C(F)(F)c1nccs1)C1CC1 ZINC001601665037 1174935255 /nfs/dbraw/zinc/93/52/55/1174935255.db2.gz SIHXSUAFARVMBY-ZCFIWIBFSA-N -2 3 276.264 1.214 20 0 CDADHL O=C([O-])C[C@@H]1CCCN1C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001601950398 1175082738 /nfs/dbraw/zinc/08/27/38/1175082738.db2.gz HDLNQNDRGATANZ-VIFPVBQESA-N -2 3 291.307 1.139 20 0 CDADHL O=C([O-])[C@@H]1CC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001602175109 1175152009 /nfs/dbraw/zinc/15/20/09/1175152009.db2.gz MYXDHAORVDCVRB-APPZFPTMSA-N -2 3 291.275 1.106 20 0 CDADHL CC(C)CCn1[n-]c(-c2cccc(-c3nn[n-]n3)c2)cc1=O ZINC001603283480 1175533112 /nfs/dbraw/zinc/53/31/12/1175533112.db2.gz QCGQYFGHZKOVGV-UHFFFAOYSA-N -2 3 298.350 1.849 20 0 CDADHL CON(C(=O)c1ccc(C)c(C)c1[O-])[C@H](C)CC(=O)[O-] ZINC001606987830 1164052826 /nfs/dbraw/zinc/05/28/26/1164052826.db2.gz OEVHFSXTUFZJDP-SECBINFHSA-N -2 3 281.308 1.876 20 0 CDADHL O=C([O-])c1csc(CNC2(c3nn[n-]n3)CCCC2)c1 ZINC001608992063 1164711703 /nfs/dbraw/zinc/71/17/03/1164711703.db2.gz AZBOPWUVEWHERE-UHFFFAOYSA-N -2 3 293.352 1.519 20 0 CDADHL O=C([O-])c1csc(CNC2(c3nnn[n-]3)CCCC2)c1 ZINC001608992063 1164711706 /nfs/dbraw/zinc/71/17/06/1164711706.db2.gz AZBOPWUVEWHERE-UHFFFAOYSA-N -2 3 293.352 1.519 20 0 CDADHL CC(C)CCOC(=O)[C@H](C)OCCP(=O)([O-])[O-] ZINC001224602934 909919482 /nfs/dbraw/zinc/91/94/82/909919482.db2.gz UFYQCHXEEIQLGQ-VIFPVBQESA-N -2 3 268.246 1.159 20 0 CDADHL O=Nc1c(=O)[n-]c(=O)[nH]c1Nc1ccc(C(=O)[O-])c(F)c1 ZINC001175161246 913466917 /nfs/dbraw/zinc/46/69/17/913466917.db2.gz LFSHZIUWHYNSKH-UHFFFAOYSA-N -2 3 294.198 1.867 20 0 CDADHL Cc1ncc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1C ZINC001176238050 914002147 /nfs/dbraw/zinc/00/21/47/914002147.db2.gz LXNNKOTWZKFOAC-UHFFFAOYSA-N -2 3 275.264 1.869 20 0 CDADHL O=S(=O)(CCCF)[N-]c1ccc(F)cc1[O-] ZINC001189905843 921705917 /nfs/dbraw/zinc/70/59/17/921705917.db2.gz CMCKYARYMFWZAI-UHFFFAOYSA-N -2 3 251.254 1.633 20 0 CDADHL CCCCOC(=O)NCCCCP(=O)([O-])[O-] ZINC001193721308 923862059 /nfs/dbraw/zinc/86/20/59/923862059.db2.gz XGXZBMHFTGFHHY-UHFFFAOYSA-N -2 3 253.235 1.471 20 0 CDADHL O=C(NCCP(=O)([O-])[O-])Nc1c(F)cccc1F ZINC001202045249 926456333 /nfs/dbraw/zinc/45/63/33/926456333.db2.gz UNHOXFGABTUCQO-UHFFFAOYSA-N -2 3 280.167 1.264 20 0 CDADHL O=C(NCCP(=O)([O-])[O-])Nc1ccccc1Cl ZINC001202066889 926463075 /nfs/dbraw/zinc/46/30/75/926463075.db2.gz NEOCQYHTBFHMDY-UHFFFAOYSA-N -2 3 278.632 1.639 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1cccc2nccn21 ZINC001154526070 937553763 /nfs/dbraw/zinc/55/37/63/937553763.db2.gz ISROIAFFZWGVPY-UHFFFAOYSA-N -2 3 297.251 1.022 20 0 CDADHL O=C([O-])c1ccccc1NCCCc1c[n-][nH]c1=O ZINC001164374553 939467586 /nfs/dbraw/zinc/46/75/86/939467586.db2.gz NCOFAHPNTSFEGC-SECBINFHSA-N -2 3 261.281 1.309 20 0 CDADHL COc1c(Nc2cnc(C)[n-]c2=O)cccc1C(=O)[O-] ZINC001211034453 940726581 /nfs/dbraw/zinc/72/65/81/940726581.db2.gz VRWFZUYKECOMBQ-UHFFFAOYSA-N -2 3 275.264 1.941 20 0 CDADHL C[C@@H](OCCCCP(=O)([O-])[O-])c1ncccn1 ZINC001225023531 941816224 /nfs/dbraw/zinc/81/62/24/941816224.db2.gz XIJISVGBUAARAT-SECBINFHSA-N -2 3 260.230 1.512 20 0 CDADHL Cc1c([C@@H](C)Oc2nc3ncnc-3c([S-])[n-]2)cnn1C ZINC001226780187 942069094 /nfs/dbraw/zinc/06/90/94/942069094.db2.gz FWQAEFUZFIIXRC-SSDOTTSWSA-N -2 3 290.352 1.824 20 0 CDADHL C[C@@H]1CCC[C@H](Oc2[n-]c(=O)nc3cn[n-]c32)[C@@H]1C ZINC001233939039 943695345 /nfs/dbraw/zinc/69/53/45/943695345.db2.gz GNNXRJQZTXFVJI-MRTMQBJTSA-N -2 3 262.313 1.850 20 0 CDADHL CC[C@H]1CC[C@H](Oc2[n-]c(=O)nc3cn[n-]c32)CC1 ZINC001233940764 943696604 /nfs/dbraw/zinc/69/66/04/943696604.db2.gz ZIOXPBMITHFAFP-KYZUINATSA-N -2 3 262.313 1.994 20 0 CDADHL CC[C@H](OC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC001589577596 948974759 /nfs/dbraw/zinc/97/47/59/948974759.db2.gz HWVKPARBSFGJOB-JTQLQIEISA-N -2 3 256.229 1.480 20 0 CDADHL O=C(NCc1nc([O-])cc(=O)[nH]1)c1ccc(Cl)cc1[O-] ZINC001362720444 971558511 /nfs/dbraw/zinc/55/85/11/971558511.db2.gz QJDUJBPTXFKATN-UHFFFAOYSA-N -2 3 295.682 1.177 20 0 CDADHL O=C([O-])CC[C@@H]1CCCCN1C(=O)c1c[n-]ncc1=O ZINC001595011985 951249902 /nfs/dbraw/zinc/24/99/02/951249902.db2.gz FABDFRPWKOZEKM-VIFPVBQESA-N -2 3 279.296 1.042 20 0 CDADHL O=C([O-])C[C@@H](NCc1cn2cc(Cl)ccc2n1)C(=O)[O-] ZINC001595128690 952023513 /nfs/dbraw/zinc/02/35/13/952023513.db2.gz BKDDPBAGWAHCPU-SECBINFHSA-N -2 3 297.698 1.005 20 0 CDADHL Cc1csc(C(=O)NCc2nc([O-])cc(=O)[n-]2)c1Cl ZINC001363156064 971932673 /nfs/dbraw/zinc/93/26/73/971932673.db2.gz ZXPFGIGFKSZICB-UHFFFAOYSA-N -2 3 299.739 1.841 20 0 CDADHL CN(C(=O)c1ccc(O)cc1[O-])C1(C(=O)[O-])CCCCC1 ZINC000387462528 972124526 /nfs/dbraw/zinc/12/45/26/972124526.db2.gz NGJONRXULGBLSL-UHFFFAOYSA-N -2 3 293.319 1.957 20 0 CDADHL CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc(O)cc1[O-] ZINC000037589438 957310782 /nfs/dbraw/zinc/31/07/82/957310782.db2.gz CRZOJVNIANBXDS-MRVPVSSYSA-N -2 3 267.281 1.423 20 0 CDADHL CC(C)(C)O[N-]C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000113727144 958448286 /nfs/dbraw/zinc/44/82/86/958448286.db2.gz QRYXQYBPQQDPQS-UHFFFAOYSA-N -2 3 251.282 1.774 20 0 CDADHL COc1ccc([O-])c(C(=O)Nc2c[nH]nc2C(=O)[O-])c1 ZINC001594105408 958462338 /nfs/dbraw/zinc/46/23/38/958462338.db2.gz LOLGHLPJYKKGMB-UHFFFAOYSA-N -2 3 277.236 1.074 20 0 CDADHL O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)c1cccc(O)c1[O-] ZINC000126066653 958579912 /nfs/dbraw/zinc/57/99/12/958579912.db2.gz WLHYLGIHSYFFKK-KOLCDFICSA-N -2 3 293.319 1.861 20 0 CDADHL CC(=O)Nc1ccc([O-])c(C(=O)NC(C)(C)CC(=O)[O-])c1 ZINC001588519879 958820885 /nfs/dbraw/zinc/82/08/85/958820885.db2.gz BRIJETKXUPLACS-UHFFFAOYSA-N -2 3 294.307 1.334 20 0 CDADHL Cc1nc(N2CCC[C@@H](CCC(=O)[O-])C2)cc(=O)[n-]1 ZINC000163119321 959227528 /nfs/dbraw/zinc/22/75/28/959227528.db2.gz GYKHHKBWBBDLNT-JTQLQIEISA-N -2 3 265.313 1.572 20 0 CDADHL C[C@H]1CN(C(=O)c2ccc(O)cc2[O-])CC[C@H]1C(=O)[O-] ZINC000312834853 963597025 /nfs/dbraw/zinc/59/70/25/963597025.db2.gz KABIXWWALIPDQV-WCBMZHEXSA-N -2 3 279.292 1.281 20 0 CDADHL CC(C)[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001591854071 976148100 /nfs/dbraw/zinc/14/81/00/976148100.db2.gz ZARMWNQEUXLQNM-JGVFFNPUSA-N -2 3 273.310 1.301 20 0 CDADHL C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000694195513 976679550 /nfs/dbraw/zinc/67/95/50/976679550.db2.gz FTMGNVKHACGGBP-DTWKUNHWSA-N -2 3 287.337 1.692 20 0 CDADHL O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)c1c([O-])cccc1O)C2 ZINC000712963942 977624840 /nfs/dbraw/zinc/62/48/40/977624840.db2.gz OWDDXEAPBGBCIX-KXEKKFMESA-N -2 3 277.276 1.081 20 0 CDADHL C[C@@H]1SCC[C@@H]1[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871995037 980026444 /nfs/dbraw/zinc/02/64/44/980026444.db2.gz HJELVQKMERCMFW-XPUUQOCRSA-N -2 3 291.350 1.150 20 0 CDADHL CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001594821264 981969829 /nfs/dbraw/zinc/96/98/29/981969829.db2.gz UIKQSCOPULYAHG-AWEZNQCLSA-N -2 3 293.323 1.433 20 0 CDADHL CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cscn1)C(=O)[O-] ZINC001594952615 982671876 /nfs/dbraw/zinc/67/18/76/982671876.db2.gz JZCKPGOKJDJAGJ-YUMQZZPRSA-N -2 3 292.382 1.311 20 0 CDADHL CCOc1nnc(NC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)[n-]1 ZINC001597193487 987077627 /nfs/dbraw/zinc/07/76/27/987077627.db2.gz BXMJJJHVOLQTNI-UHFFFAOYSA-N -2 3 293.283 1.099 20 0 CDADHL CCOc1nc(NC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)n[n-]1 ZINC001597193487 987077638 /nfs/dbraw/zinc/07/76/38/987077638.db2.gz BXMJJJHVOLQTNI-UHFFFAOYSA-N -2 3 293.283 1.099 20 0 CDADHL CCOc1n[n-]c(NC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)n1 ZINC001597193487 987077646 /nfs/dbraw/zinc/07/76/46/987077646.db2.gz BXMJJJHVOLQTNI-UHFFFAOYSA-N -2 3 293.283 1.099 20 0 CDADHL CCc1cccc(C(=O)N2CCOC[C@H]2CC(=O)[O-])c1[O-] ZINC001597570345 988341690 /nfs/dbraw/zinc/34/16/90/988341690.db2.gz DOIIECSMZZDMPI-LLVKDONJSA-N -2 3 293.319 1.270 20 0 CDADHL CCc1cccc(C(=O)NCc2nc(C(=O)[O-])co2)c1[O-] ZINC001597575884 988363579 /nfs/dbraw/zinc/36/35/79/988363579.db2.gz FSWVLVNYWNMVBK-UHFFFAOYSA-N -2 3 290.275 1.571 20 0 CDADHL O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000085326784 179018710 /nfs/dbraw/zinc/01/87/10/179018710.db2.gz FARDSIWZXQTLAT-SCZZXKLOSA-N -2 3 287.312 1.357 20 0 CDADHL CC[C@H]([N-]S(=O)(=O)c1c(C)cccc1F)C(=O)[O-] ZINC000274920692 365854413 /nfs/dbraw/zinc/85/44/13/365854413.db2.gz MWOPYMUPLOCYFU-VIFPVBQESA-N -2 3 275.301 1.276 20 0 CDADHL O=c1cc(-c2ccccc2)[n-]n1-c1cn[n-]c(=O)c1Cl ZINC000614185952 348028800 /nfs/dbraw/zinc/02/88/00/348028800.db2.gz SOKGIVAKNIFJRF-UHFFFAOYSA-N -2 3 288.694 1.977 20 0 CDADHL COCCS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1[O-] ZINC000091436487 180155409 /nfs/dbraw/zinc/15/54/09/180155409.db2.gz WRQCAFSRUFGOSI-UHFFFAOYSA-N -2 3 299.270 1.799 20 0 CDADHL CCC[C@H](NC(=O)c1ccccc1[O-])c1nnn[n-]1 ZINC000092424820 180383296 /nfs/dbraw/zinc/38/32/96/180383296.db2.gz UWAWFANETDXKNF-VIFPVBQESA-N -2 3 261.285 1.177 20 0 CDADHL CCC[C@H](NC(=O)c1ccccc1[O-])c1nn[n-]n1 ZINC000092424820 180383300 /nfs/dbraw/zinc/38/33/00/180383300.db2.gz UWAWFANETDXKNF-VIFPVBQESA-N -2 3 261.285 1.177 20 0 CDADHL C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000570208255 363432992 /nfs/dbraw/zinc/43/29/92/363432992.db2.gz ULNXAJSWTDRHQD-CZMCAQCFSA-N -2 3 287.337 1.835 20 0 CDADHL CCC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000036838283 356550529 /nfs/dbraw/zinc/55/05/29/356550529.db2.gz URQJTMYDBJZXCJ-SNVBAGLBSA-N -2 3 293.291 1.496 20 0 CDADHL C[C@@H](CC1CCC1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000634654711 356644448 /nfs/dbraw/zinc/64/44/48/356644448.db2.gz QZRZOMSDTZOLOW-QMMMGPOBSA-N -2 3 287.337 1.835 20 0 CDADHL C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000070311916 357719624 /nfs/dbraw/zinc/71/96/24/357719624.db2.gz SCKPHGGZJZIKGM-ZETCQYMHSA-N -2 3 293.291 1.496 20 0 CDADHL COc1ccc(C(=O)NC2(CC(=O)[O-])CCCC2)c([O-])c1 ZINC000084142768 357851827 /nfs/dbraw/zinc/85/18/27/357851827.db2.gz PYFGMZZRAQQOBE-UHFFFAOYSA-N -2 3 293.319 1.918 20 0 CDADHL Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])c([O-])c1 ZINC000132833921 361281121 /nfs/dbraw/zinc/28/11/21/361281121.db2.gz PGJJMGNCFRHUMH-BDAKNGLRSA-N -2 3 251.282 1.540 20 0 CDADHL CC(C)[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000034972485 364385944 /nfs/dbraw/zinc/38/59/44/364385944.db2.gz VBBAVHSATORJJL-SSDOTTSWSA-N -2 3 261.299 1.301 20 0 CDADHL [O-]c1ccc(F)c(CN=c2[n-]nc3ccccn32)c1F ZINC000357695368 367151181 /nfs/dbraw/zinc/15/11/81/367151181.db2.gz DYXVYGPDFPQNRM-UHFFFAOYSA-N -2 3 276.246 1.747 20 0 CDADHL Cc1noc(=NC(=O)c2c[n-]c3c(C)cccc3c2=O)[n-]1 ZINC000361323616 368747550 /nfs/dbraw/zinc/74/75/50/368747550.db2.gz DCMOKKNRHIMCGV-UHFFFAOYSA-N -2 3 284.275 1.202 20 0 CDADHL Cc1cccc(S(=O)(=O)[N-][C@@H](C)CCC(=O)[O-])c1F ZINC000274973472 371197600 /nfs/dbraw/zinc/19/76/00/371197600.db2.gz IYJGPDVVJFOKTK-VIFPVBQESA-N -2 3 289.328 1.666 20 0 CDADHL C/C=C/C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000573799537 371660919 /nfs/dbraw/zinc/66/09/19/371660919.db2.gz VVGGEKDFVGSLTP-UFUPEUMYSA-N -2 3 275.351 1.446 20 0 CDADHL Cc1[n-][nH]c(=O)c1CCN=c1nc(C(C)(C)C)[n-]s1 ZINC000547960091 374540948 /nfs/dbraw/zinc/54/09/48/374540948.db2.gz IYAPOSZWAXPZNT-MRVPVSSYSA-N -2 3 281.385 1.181 20 0 CDADHL CC(C)c1n[n-]c(=NCCNC(=O)c2ccc([O-])cc2)o1 ZINC000450253214 251194380 /nfs/dbraw/zinc/19/43/80/251194380.db2.gz MXXAUSZPYKYLPC-UHFFFAOYSA-N -2 3 290.323 1.162 20 0 CDADHL O=C(C=Cc1ccc(F)c(F)c1)N=c1ccc([O-])n[n-]1 ZINC000492976313 253338320 /nfs/dbraw/zinc/33/83/20/253338320.db2.gz XPCABZIOEPFFAL-DJWKRKHSSA-N -2 3 277.230 1.534 20 0 CDADHL Cc1c(C(=O)N=c2ccc([O-])n[n-]2)ccn1C(C)C ZINC000410718969 391333269 /nfs/dbraw/zinc/33/32/69/391333269.db2.gz NCAOMELSNOAJRL-UHFFFAOYSA-N -2 3 260.297 1.547 20 0 CDADHL CCc1ccc([O-])c(C(=O)N[C@H](CC)C(=O)[O-])c1 ZINC000515464371 391780668 /nfs/dbraw/zinc/78/06/68/391780668.db2.gz OQAOVRZDYUMELF-SNVBAGLBSA-N -2 3 251.282 1.548 20 0 CDADHL COc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)c([O-])c1 ZINC000092917266 782002992 /nfs/dbraw/zinc/00/29/92/782002992.db2.gz XJKIMXOJLPEAAA-WCBMZHEXSA-N -2 3 279.292 1.336 20 0 CDADHL O=C([O-])[C@@H](NC(=O)c1ccccc1[O-])c1ccccc1 ZINC000022142359 171355299 /nfs/dbraw/zinc/35/52/99/171355299.db2.gz LXYHTGWTCOVRQU-ZDUSSCGKSA-N -2 3 271.272 1.948 20 0 CDADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)C1CC1 ZINC000035140618 172008338 /nfs/dbraw/zinc/00/83/38/172008338.db2.gz DJUWPOSQYFKTTE-LURJTMIESA-N -2 3 275.351 1.523 20 0 CDADHL CCC[C@](C)(NC(=O)c1cc(OC)ccc1[O-])C(=O)[O-] ZINC000036338194 172622759 /nfs/dbraw/zinc/62/27/59/172622759.db2.gz QMVBASAUYZDTNR-AWEZNQCLSA-N -2 3 281.308 1.774 20 0 CDADHL Cc1ccc(F)c(S(=O)(=O)[N-]CCCC(=O)[O-])c1 ZINC000037461945 173224874 /nfs/dbraw/zinc/22/48/74/173224874.db2.gz VIXRNWDFVJFNDE-UHFFFAOYSA-N -2 3 275.301 1.277 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](C)C(C)C)oc1C(=O)[O-] ZINC000663425581 414246416 /nfs/dbraw/zinc/24/64/16/414246416.db2.gz YYNDHRSOARRAMP-SECBINFHSA-N -2 3 289.353 1.857 20 0 CDADHL CC[C@H](C(=O)[O-])N(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000044616672 175218034 /nfs/dbraw/zinc/21/80/34/175218034.db2.gz BRYYUGIWOHAJNE-GFCCVEGCSA-N -2 3 288.303 1.463 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CCC[C@](C)(C(=O)[O-])C2)n1 ZINC000652482810 424485543 /nfs/dbraw/zinc/48/55/43/424485543.db2.gz WKBJWZPNIJFTKT-AWEZNQCLSA-N -2 3 279.340 1.431 20 0 CDADHL CCc1cc(=O)[n-]c(CN(CCC(=O)[O-])C(C)C)n1 ZINC000652477680 424476504 /nfs/dbraw/zinc/47/65/04/424476504.db2.gz GQPPGLDIEDAFJF-UHFFFAOYSA-N -2 3 267.329 1.430 20 0 CDADHL Cc1ncc(S(=O)(=O)[N-]CC[C@H](C)CC(=O)[O-])s1 ZINC000392841879 323827934 /nfs/dbraw/zinc/82/79/34/323827934.db2.gz ADPLVWCCJCUJDB-ZETCQYMHSA-N -2 3 292.382 1.231 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C2CCC2)o1 ZINC000579349566 324163053 /nfs/dbraw/zinc/16/30/53/324163053.db2.gz QKULCJFRONCDIK-UWVGGRQHSA-N -2 3 299.348 1.692 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCC2CC2)o1 ZINC000162743414 483017560 /nfs/dbraw/zinc/01/75/60/483017560.db2.gz GPXFYCDKOMPOHC-UHFFFAOYSA-N -2 3 273.310 1.446 20 0 CDADHL CC(C)C1(C(=O)NCCCCP(=O)([O-])[O-])CCC1 ZINC001142653825 1160761871 /nfs/dbraw/zinc/76/18/71/1160761871.db2.gz GAKTWIIMTQQWJV-UHFFFAOYSA-N -2 3 277.301 1.887 20 0 CDADHL COc1ccc(Cl)c(S(=O)(=O)[N-]CCC(=O)[O-])c1 ZINC000261739134 536541934 /nfs/dbraw/zinc/54/19/34/536541934.db2.gz UPICDOSEQGGREM-UHFFFAOYSA-N -2 3 293.728 1.102 20 0 CDADHL O=C(Nc1ccccc1[O-])c1ccc2n[n-]c(=S)n2c1 ZINC000773851475 575841406 /nfs/dbraw/zinc/84/14/06/575841406.db2.gz MQZVXUSKAMYERM-UHFFFAOYSA-N -2 3 286.316 1.976 20 0 CDADHL Cc1cc(Cl)cc(NC(=O)CCNC(=O)[O-])c1[O-] ZINC000738234084 576051892 /nfs/dbraw/zinc/05/18/92/576051892.db2.gz UJQXYVXJKDSPMA-UHFFFAOYSA-N -2 3 272.688 1.950 20 0 CDADHL CC[C@@](C)(CC(=O)[O-])[N-]C(=O)C(F)(F)C(F)F ZINC000828617403 601288682 /nfs/dbraw/zinc/28/86/82/601288682.db2.gz CFPWEWSAZWHUNG-QMMMGPOBSA-N -2 3 259.199 1.646 20 0 CDADHL O=C([O-])C[C@H](NC(=O)c1cc2c(cc1[O-])OCO2)C1CC1 ZINC000833198884 601564597 /nfs/dbraw/zinc/56/45/97/601564597.db2.gz KFEJPSHQMKHVGK-VIFPVBQESA-N -2 3 293.275 1.104 20 0 CDADHL CC(C)(CC(=O)[O-])CC(=O)[N-]OCc1cccnc1 ZINC000833455675 605226752 /nfs/dbraw/zinc/22/67/52/605226752.db2.gz NXOZHEFIIUVNHY-UHFFFAOYSA-N -2 3 266.297 1.520 20 0 CDADHL CC(C)[C@@H](CO)O[N-]C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000911813402 629506961 /nfs/dbraw/zinc/50/69/61/629506961.db2.gz MQOGDBHTQGRSGU-GWMXKSKGSA-N -2 3 285.340 1.086 20 0 CDADHL C[C@H]([N-]S(=O)(=O)c1cccnc1C(=O)[O-])C(F)(F)F ZINC001604356653 1163163401 /nfs/dbraw/zinc/16/34/01/1163163401.db2.gz PPARPEFOSWSEEJ-YFKPBYRVSA-N -2 3 298.242 1.009 20 0 CDADHL Cn1ccc2c1cccc2[N-]S(=O)(=O)CCC(=O)[O-] ZINC001608127798 1164419517 /nfs/dbraw/zinc/41/95/17/1164419517.db2.gz DHIRSZMHXBJQFE-UHFFFAOYSA-N -2 3 282.321 1.395 20 0 CDADHL Nc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])c([O-])c1 ZINC001608271570 1164475439 /nfs/dbraw/zinc/47/54/39/1164475439.db2.gz CJWSBZCHNUTFRV-GMOODISLSA-N -2 3 290.319 1.300 20 0 CDADHL CCc1nc([N-]C(=O)c2cccc[n+]2[O-])sc1C(=O)[O-] ZINC001610073146 1165204530 /nfs/dbraw/zinc/20/45/30/1165204530.db2.gz WBQFVDRNULRVNT-UHFFFAOYSA-N -2 3 293.304 1.289 20 0 CDADHL Cc1ccc([O-])c(NC(=O)c2ccc(C(=O)[O-])o2)n1 ZINC001610510024 1165334988 /nfs/dbraw/zinc/33/49/88/1165334988.db2.gz UUZLACAGBMOWFY-UHFFFAOYSA-N -2 3 262.221 1.639 20 0 CDADHL O=C([O-])[C@H]1C[C@H](Nc2cc(Cl)ccc2-c2nn[n-]n2)C1 ZINC001593279066 1174049508 /nfs/dbraw/zinc/04/95/08/1174049508.db2.gz PBABDLXNOFRUNY-FKQCQYRASA-N -2 3 293.714 1.795 20 0 CDADHL O=C([O-])[C@@H]1CCC[C@H](c2nc(-c3cc(=O)[n-]cn3)no2)C1 ZINC001601802689 1175013588 /nfs/dbraw/zinc/01/35/88/1175013588.db2.gz AJJDKJYZRHENIB-JGVFFNPUSA-N -2 3 290.279 1.591 20 0 CDADHL O=C([O-])[C@H]1C[C@@H](S(=O)(=O)[N-]C2(C(F)F)CCCC2)C1 ZINC001602221699 1175174109 /nfs/dbraw/zinc/17/41/09/1175174109.db2.gz SGZCJCDNFQXVSN-OCAPTIKFSA-N -2 3 297.323 1.347 20 0 CDADHL O=C([O-])[C@]12CCC[C@H]1CN(C(=O)c1ccc(O)cc1[O-])C2 ZINC001602626193 1175328991 /nfs/dbraw/zinc/32/89/91/1175328991.db2.gz YTTCWIDOSGUMDG-VFZGTOFNSA-N -2 3 291.303 1.425 20 0 CDADHL CC[C@@H](CNc1nc(C)ccc1-c1nnn[n-]1)C(=O)[O-] ZINC001604038947 1175728979 /nfs/dbraw/zinc/72/89/79/1175728979.db2.gz ACPFNVHOSJWLMI-QMMMGPOBSA-N -2 3 276.300 1.093 20 0 CDADHL CC[C@@H](CNc1nc(C)ccc1-c1nn[n-]n1)C(=O)[O-] ZINC001604038947 1175728984 /nfs/dbraw/zinc/72/89/84/1175728984.db2.gz ACPFNVHOSJWLMI-QMMMGPOBSA-N -2 3 276.300 1.093 20 0 CDADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CCC[C@@H]1C=CCC1 ZINC001608965333 1164698131 /nfs/dbraw/zinc/69/81/31/1164698131.db2.gz LHONOSOMSQBVGT-SECBINFHSA-N -2 3 299.352 1.133 20 0 CDADHL O=C([O-])Cc1ccc(NC(=O)[N-]O[C@H]2CCCCO2)cc1 ZINC001610793417 1165444231 /nfs/dbraw/zinc/44/42/31/1165444231.db2.gz WGHGKBLAWUCNKH-ZDUSSCGKSA-N -2 3 294.307 1.893 20 0 CDADHL COc1ccc([C@H](C)Oc2nc(=O)[n-]c(=O)[n-]2)cc1 ZINC001227570088 906376155 /nfs/dbraw/zinc/37/61/55/906376155.db2.gz IHTQVNCQAJAYBM-ZETCQYMHSA-N -2 3 263.253 1.431 20 0 CDADHL C[C@H](O)CCCC(=O)OCCCCP(=O)([O-])[O-] ZINC001225019029 941814785 /nfs/dbraw/zinc/81/47/85/941814785.db2.gz PETIAQTVWYMUPH-VIFPVBQESA-N -2 3 268.246 1.039 20 0 CDADHL CC(C)(C)COC(=O)NCCCCP(=O)([O-])[O-] ZINC001194406098 924206545 /nfs/dbraw/zinc/20/65/45/924206545.db2.gz PAZLFYAUNQSVCJ-UHFFFAOYSA-N -2 3 267.262 1.717 20 0 CDADHL COc1cnc(C(=O)[N-]c2n[n-]c(C(F)(F)F)n2)o1 ZINC001195788961 924732399 /nfs/dbraw/zinc/73/23/99/924732399.db2.gz FSFKCLLKBKSTEC-UHFFFAOYSA-N -2 3 277.162 1.072 20 0 CDADHL O=S(=O)([N-]C1=CC=C[CH]1)c1ccc(Cl)cn1 ZINC001196266571 924854839 /nfs/dbraw/zinc/85/48/39/924854839.db2.gz IHFWVVWOZKKGJC-UHFFFAOYSA-N -2 3 255.706 1.671 20 0 CDADHL COc1cccc(CS(=O)(=O)[N-]c2ncccc2[O-])c1 ZINC001197347050 925118512 /nfs/dbraw/zinc/11/85/12/925118512.db2.gz GDGLGWNQWACZAF-UHFFFAOYSA-N -2 3 294.332 1.738 20 0 CDADHL CC(C)Cn1[n-]c(CC(=O)[N-]OCCC2CC2)cc1=O ZINC000820484837 930924739 /nfs/dbraw/zinc/92/47/39/930924739.db2.gz OSLNPDSTPIAGFU-UHFFFAOYSA-N -2 3 281.356 1.223 20 0 CDADHL CCOC(=O)c1ncc(NC(=O)c2cccc(F)c2[O-])[n-]1 ZINC001412407014 932411790 /nfs/dbraw/zinc/41/17/90/932411790.db2.gz LEGSKCUSCNSLLK-UHFFFAOYSA-N -2 3 293.254 1.683 20 0 CDADHL CCOC(=O)c1nc(NC(=O)c2cccc(F)c2[O-])c[n-]1 ZINC001412407014 932411792 /nfs/dbraw/zinc/41/17/92/932411792.db2.gz LEGSKCUSCNSLLK-UHFFFAOYSA-N -2 3 293.254 1.683 20 0 CDADHL COc1cc(Nc2cc(=O)[n-]c(C)n2)cc(C(=O)[O-])c1 ZINC001213585437 940779012 /nfs/dbraw/zinc/77/90/12/940779012.db2.gz UWVJJMMVWCAMNK-UHFFFAOYSA-N -2 3 275.264 1.941 20 0 CDADHL COc1ccccc1[C@@H](C)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233934656 943693150 /nfs/dbraw/zinc/69/31/50/943693150.db2.gz NPGZVJRZKOYKGK-MRVPVSSYSA-N -2 3 286.291 1.795 20 0 CDADHL C[C@@H]1CCC[C@H](C)[C@H]1Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233938190 943695847 /nfs/dbraw/zinc/69/58/47/943695847.db2.gz BCKNLLFLDYUTEU-VROVMSAKSA-N -2 3 262.313 1.850 20 0 CDADHL COC(=O)CS(=O)(=O)[N-]c1cc2ccccc2cc1[O-] ZINC001259024863 945469900 /nfs/dbraw/zinc/46/99/00/945469900.db2.gz JFAXOKZUFPNLSQ-UHFFFAOYSA-N -2 3 295.316 1.460 20 0 CDADHL COc1ccc(-c2nnn[n-]2)cc1-c1cncc(C(=O)[O-])c1 ZINC001241804377 946479865 /nfs/dbraw/zinc/47/98/65/946479865.db2.gz RBQGAMFKQZWONL-UHFFFAOYSA-N -2 3 297.274 1.636 20 0 CDADHL COc1ccc(-c2nn[n-]n2)cc1-c1cncc(C(=O)[O-])c1 ZINC001241804377 946479870 /nfs/dbraw/zinc/47/98/70/946479870.db2.gz RBQGAMFKQZWONL-UHFFFAOYSA-N -2 3 297.274 1.636 20 0 CDADHL O=C([O-])CC[C@@H](NCc1c(F)cccc1Cl)C(=O)[O-] ZINC000075424081 949000100 /nfs/dbraw/zinc/00/01/00/949000100.db2.gz OGKKVELBBGNJTI-SNVBAGLBSA-N -2 3 289.690 1.887 20 0 CDADHL O=C([O-])CCCCC(=O)N1CCCc2c(=O)[n-]cnc21 ZINC001595031816 951375718 /nfs/dbraw/zinc/37/57/18/951375718.db2.gz LCJSRMQPTLZVQY-UHFFFAOYSA-N -2 3 279.296 1.106 20 0 CDADHL O=C([O-])CNC(=O)c1cc2sccc2c([O-])c1 ZINC001595103423 951873873 /nfs/dbraw/zinc/87/38/73/951873873.db2.gz GJDQGMAJSFWWBE-UHFFFAOYSA-N -2 3 251.263 1.421 20 0 CDADHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]CCC(F)F)c1 ZINC000382064535 971798361 /nfs/dbraw/zinc/79/83/61/971798361.db2.gz YRPOLGWKMFLGCD-UHFFFAOYSA-N -2 3 297.254 1.457 20 0 CDADHL O=C([O-])[C@@H]1CC[C@H](c2nc(-c3cc(=O)[n-]cn3)no2)C1 ZINC001595177983 952242336 /nfs/dbraw/zinc/24/23/36/952242336.db2.gz BHXNFLCNSPGHKU-NKWVEPMBSA-N -2 3 276.252 1.201 20 0 CDADHL O=C([O-])c1cccc(CNC(=O)c2cccc(O)c2[O-])c1 ZINC000126004274 958578111 /nfs/dbraw/zinc/57/81/11/958578111.db2.gz SOAGBULVNPHYRQ-UHFFFAOYSA-N -2 3 287.271 1.726 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2C(=O)[O-])o1 ZINC001574382180 961112731 /nfs/dbraw/zinc/11/27/31/961112731.db2.gz GUFABHNKDNMFMG-UHFFFAOYSA-N -2 3 295.316 1.765 20 0 CDADHL CCOc1nnc(NC(=O)c2cccc(C(=O)[O-])c2)[n-]1 ZINC001573925944 961550418 /nfs/dbraw/zinc/55/04/18/961550418.db2.gz HVGBMDVFVSHSSD-UHFFFAOYSA-N -2 3 276.252 1.154 20 0 CDADHL CCOc1nc(NC(=O)c2cccc(C(=O)[O-])c2)n[n-]1 ZINC001573925944 961550432 /nfs/dbraw/zinc/55/04/32/961550432.db2.gz HVGBMDVFVSHSSD-UHFFFAOYSA-N -2 3 276.252 1.154 20 0 CDADHL CCOc1n[n-]c(NC(=O)c2cccc(C(=O)[O-])c2)n1 ZINC001573925944 961550449 /nfs/dbraw/zinc/55/04/49/961550449.db2.gz HVGBMDVFVSHSSD-UHFFFAOYSA-N -2 3 276.252 1.154 20 0 CDADHL O=C([O-])[C@@H]1CC[C@H](NC(=O)Cc2ccc([O-])c(F)c2)C1 ZINC001574534866 961918908 /nfs/dbraw/zinc/91/89/08/961918908.db2.gz RBWLJOVFWWHPLH-ZJUUUORDSA-N -2 3 281.283 1.443 20 0 CDADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1ccccc1 ZINC000315907717 963950764 /nfs/dbraw/zinc/95/07/64/963950764.db2.gz DTSMGZIAQSRESK-QMMMGPOBSA-N -2 3 296.304 1.412 20 0 CDADHL C[C@](O)(CNC(=O)c1cc([O-])c2ccccc2c1)C(=O)[O-] ZINC001593407378 970108270 /nfs/dbraw/zinc/10/82/70/970108270.db2.gz NUVPESSPKLYTQM-HNNXBMFYSA-N -2 3 289.287 1.111 20 0 CDADHL CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1cccc([O-])c1F ZINC001603324114 972668442 /nfs/dbraw/zinc/66/84/42/972668442.db2.gz VBGAPILFJNISHN-CYBMUJFWSA-N -2 3 267.256 1.971 20 0 CDADHL CCc1ccc(C(=O)N(C)[C@H](CC)C(=O)[O-])c([O-])c1 ZINC001603969153 974455143 /nfs/dbraw/zinc/45/51/43/974455143.db2.gz ABRAHFGCGLLDKN-LLVKDONJSA-N -2 3 265.309 1.890 20 0 CDADHL CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000710641657 977517712 /nfs/dbraw/zinc/51/77/12/977517712.db2.gz PMKXUKOHLSYUBD-PSASIEDQSA-N -2 3 287.337 1.835 20 0 CDADHL CCCCC[C@@H](NC(=O)c1cccc2n[n-]nc21)C(=O)[O-] ZINC001595681998 982166178 /nfs/dbraw/zinc/16/61/78/982166178.db2.gz ZLZSMNCGEKDMND-LLVKDONJSA-N -2 3 290.323 1.721 20 0 CDADHL CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cc2c(cc1[O-])OCO2 ZINC001594975686 982752280 /nfs/dbraw/zinc/75/22/80/982752280.db2.gz RAESERTYLGZCTN-MRVPVSSYSA-N -2 3 295.291 1.446 20 0 CDADHL CS[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC001599804724 988235868 /nfs/dbraw/zinc/23/58/68/988235868.db2.gz ONKGKKZNKYPIMB-ZKCHVHJHSA-N -2 3 291.350 1.150 20 0 CDADHL CSc1ccc([O-])c(C(=O)NCC2(C(=O)[O-])CC2)c1 ZINC001599819799 988492610 /nfs/dbraw/zinc/49/26/10/988492610.db2.gz IFRYEVPAAWZBTH-UHFFFAOYSA-N -2 3 281.333 1.709 20 0 CDADHL COc1cc(CN=c2ncnc3[nH][n-]cc2-3)ccc1C(=O)[O-] ZINC001599419186 997565045 /nfs/dbraw/zinc/56/50/45/997565045.db2.gz WWZMIKBHUDUBCX-UHFFFAOYSA-N -2 3 299.290 1.045 20 0 CDADHL CO[C@H]1CCC[C@@H](CC(=O)[N-]OCCCC(=O)[O-])C1 ZINC001599111198 997571382 /nfs/dbraw/zinc/57/13/82/997571382.db2.gz BQXWIVJWTVBBKG-MNOVXSKESA-N -2 3 273.329 1.494 20 0 CDADHL CCc1ccc([O-])c(C(=O)N2CCOC[C@@H]2CC(=O)[O-])c1 ZINC001605821500 1163680722 /nfs/dbraw/zinc/68/07/22/1163680722.db2.gz JHXNCJWAQVBUEG-NSHDSACASA-N -2 3 293.319 1.270 20 0 CDADHL O=C([O-])CCCCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001593277741 1174044721 /nfs/dbraw/zinc/04/47/21/1174044721.db2.gz GWXBDXUOMXNNOK-UHFFFAOYSA-N -2 3 296.718 1.582 20 0 CDADHL O=C([O-])CCCCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001593277741 1174044726 /nfs/dbraw/zinc/04/47/26/1174044726.db2.gz GWXBDXUOMXNNOK-UHFFFAOYSA-N -2 3 296.718 1.582 20 0 CDADHL Cc1ccc(F)c(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)c1 ZINC000201666874 342485670 /nfs/dbraw/zinc/48/56/70/342485670.db2.gz KFGVWPYMTKUIDZ-UHFFFAOYSA-N -2 3 273.285 1.030 20 0 CDADHL CC(C)Cc1nc(=NC(=O)c2csc(=O)[n-]2)s[n-]1 ZINC000618349151 349443203 /nfs/dbraw/zinc/44/32/03/349443203.db2.gz LXFFMNQAOHEYJS-UHFFFAOYSA-N -2 3 284.366 1.573 20 0 CDADHL Cc1nc(C)c(S(=O)(=O)[N-]C[C@@H](C)CC(=O)[O-])s1 ZINC000275022926 365895195 /nfs/dbraw/zinc/89/51/95/365895195.db2.gz PAHRAYQAOUHZET-LURJTMIESA-N -2 3 292.382 1.149 20 0 CDADHL O=C(N=c1[n-]nc(C2CC2)s1)c1cc(C(F)F)[n-]n1 ZINC000639478965 362984008 /nfs/dbraw/zinc/98/40/08/362984008.db2.gz TTYFIEMSDPCJDZ-UHFFFAOYSA-N -2 3 285.279 1.750 20 0 CDADHL O=C([O-])c1coc(C[N-]S(=O)(=O)c2ccco2)c1 ZINC000569900304 363195029 /nfs/dbraw/zinc/19/50/29/363195029.db2.gz GAHVQIMABYFNBG-UHFFFAOYSA-N -2 3 271.250 1.049 20 0 CDADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)c1 ZINC000036983354 356894032 /nfs/dbraw/zinc/89/40/32/356894032.db2.gz BWZKJJDQIPPXJW-NSHDSACASA-N -2 3 289.328 1.522 20 0 CDADHL CCC(CC)(CN=c1ncnc2[nH][n-]cc1-2)C(=O)[O-] ZINC000424465207 360062780 /nfs/dbraw/zinc/06/27/80/360062780.db2.gz FNDSEUOGWRXKEV-UHFFFAOYSA-N -2 3 263.301 1.029 20 0 CDADHL Cc1ncc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C)s1 ZINC000230099378 360240478 /nfs/dbraw/zinc/24/04/78/360240478.db2.gz WDQWCMYWIHPFIU-QMMMGPOBSA-N -2 3 292.382 1.229 20 0 CDADHL CCc1ccc(C(=O)NC(C)(C)c2nnn[n-]2)c([O-])c1 ZINC000436834420 361587099 /nfs/dbraw/zinc/58/70/99/361587099.db2.gz OYZRBSJXNFPFJY-UHFFFAOYSA-N -2 3 275.312 1.133 20 0 CDADHL CCc1ccc(C(=O)NC(C)(C)c2nn[n-]n2)c([O-])c1 ZINC000436834420 361587104 /nfs/dbraw/zinc/58/71/04/361587104.db2.gz OYZRBSJXNFPFJY-UHFFFAOYSA-N -2 3 275.312 1.133 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]CCC(=O)[O-])sc1Cl ZINC000231806410 367556001 /nfs/dbraw/zinc/55/60/01/367556001.db2.gz SXUMTBGTSRKOLY-UHFFFAOYSA-N -2 3 283.758 1.463 20 0 CDADHL CC(C)[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cccs1 ZINC000578235356 372363014 /nfs/dbraw/zinc/36/30/14/372363014.db2.gz YVQKOUCUPBBUEV-NSHDSACASA-N -2 3 291.394 1.916 20 0 CDADHL Cc1cc(C(=O)[N-]c2n[n-]c(C(F)(F)F)n2)on1 ZINC000029389128 374482086 /nfs/dbraw/zinc/48/20/86/374482086.db2.gz WUJIYFFVDHZXRM-UHFFFAOYSA-N -2 3 261.163 1.372 20 0 CDADHL O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2n[n-]nc2c1 ZINC000070525019 374665797 /nfs/dbraw/zinc/66/57/97/374665797.db2.gz BZYSZTDAOMISOS-ZJUUUORDSA-N -2 3 288.307 1.331 20 0 CDADHL CC(C)C[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000572117905 377715956 /nfs/dbraw/zinc/71/59/56/377715956.db2.gz FVINAOCIBSWWDX-MRVPVSSYSA-N -2 3 275.326 1.691 20 0 CDADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CC[C@H]3C[C@H]3C2)cc1C(=O)[O-] ZINC000646060398 391958205 /nfs/dbraw/zinc/95/82/05/391958205.db2.gz OOFYUWZWYDFTSW-LPEHRKFASA-N -2 3 299.348 1.753 20 0 CDADHL O=C(N=c1cc(-c2cccc(F)c2)o[n-]1)c1c[n-]nn1 ZINC000448543283 392381551 /nfs/dbraw/zinc/38/15/51/392381551.db2.gz NXFMCLWYDBESKN-UHFFFAOYSA-N -2 3 273.227 1.273 20 0 CDADHL O=C(N=c1cc(-c2cccc(F)c2)o[n-]1)c1cn[n-]n1 ZINC000448543283 392381559 /nfs/dbraw/zinc/38/15/59/392381559.db2.gz NXFMCLWYDBESKN-UHFFFAOYSA-N -2 3 273.227 1.273 20 0 CDADHL Cn1ncc2c1[n-]cc(C(=O)Nc1ncccc1[O-])c2=O ZINC000179705330 148130919 /nfs/dbraw/zinc/13/09/19/148130919.db2.gz WEJDBSGLGUBKKJ-UHFFFAOYSA-N -2 3 285.263 1.027 20 0 CDADHL Cn1ncc2c1ncc(C(=O)Nc1ncccc1[O-])c2[O-] ZINC000179705330 148130923 /nfs/dbraw/zinc/13/09/23/148130923.db2.gz WEJDBSGLGUBKKJ-UHFFFAOYSA-N -2 3 285.263 1.027 20 0 CDADHL COCc1nc(=NC(=O)c2cc([O-])ccc2Cl)s[n-]1 ZINC000346478773 153203050 /nfs/dbraw/zinc/20/30/50/153203050.db2.gz GKWZXXSJHJYBAU-UHFFFAOYSA-N -2 3 299.739 1.718 20 0 CDADHL CCOc1ccccc1OCC(=O)N=c1ccc([O-])n[n-]1 ZINC000361959297 159024465 /nfs/dbraw/zinc/02/44/65/159024465.db2.gz XZHZOGLVYHGIMN-UHFFFAOYSA-N -2 3 289.291 1.020 20 0 CDADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2ccncc2)c1 ZINC000021007618 171284901 /nfs/dbraw/zinc/28/49/01/171284901.db2.gz ZDHYOTMDNDRLCG-UHFFFAOYSA-N -2 3 298.345 1.320 20 0 CDADHL CC(C)C[C@H](NC(=O)c1ccc(O)cc1[O-])C(=O)[O-] ZINC000022214946 171375234 /nfs/dbraw/zinc/37/52/34/171375234.db2.gz GVBFTHXIGWHFSQ-JTQLQIEISA-N -2 3 267.281 1.327 20 0 CDADHL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000035390642 172174597 /nfs/dbraw/zinc/17/45/97/172174597.db2.gz AVZFWRRHZCHKDN-JTQLQIEISA-N -2 3 289.328 1.603 20 0 CDADHL Cc1ccc([O-])c(C(=O)N[C@](C)(C(=O)[O-])C2CC2)c1 ZINC000037366207 173155378 /nfs/dbraw/zinc/15/53/78/173155378.db2.gz YZZGHWIJJZDLHO-AWEZNQCLSA-N -2 3 263.293 1.684 20 0 CDADHL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000037463829 173225304 /nfs/dbraw/zinc/22/53/04/173225304.db2.gz QZDJZQITJFVPQC-ZCFIWIBFSA-N -2 3 295.719 1.621 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@H](C)C(C)(C)C)oc1C(=O)[O-] ZINC000663426843 414247206 /nfs/dbraw/zinc/24/72/06/414247206.db2.gz FEWVXXGKDFKNOP-MRVPVSSYSA-N -2 3 289.353 1.999 20 0 CDADHL CC[C@@H](C(=O)[O-])N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000044621628 175219889 /nfs/dbraw/zinc/21/98/89/175219889.db2.gz XODUAXVGKDNEBI-QMMMGPOBSA-N -2 3 281.337 1.692 20 0 CDADHL C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000071207693 176080848 /nfs/dbraw/zinc/08/08/48/176080848.db2.gz QSNYPGNFLUUMRZ-CBAPKCEASA-N -2 3 289.378 1.913 20 0 CDADHL CC(C)Oc1ccc(N[C@@H](C)C(=O)[O-])cc1-c1nnn[n-]1 ZINC001589758756 1173173837 /nfs/dbraw/zinc/17/38/37/1173173837.db2.gz MXLFOXSNQOMKLM-QMMMGPOBSA-N -2 3 291.311 1.539 20 0 CDADHL CC(C)Oc1ccc(N[C@@H](C)C(=O)[O-])cc1-c1nn[n-]n1 ZINC001589758756 1173173840 /nfs/dbraw/zinc/17/38/40/1173173840.db2.gz MXLFOXSNQOMKLM-QMMMGPOBSA-N -2 3 291.311 1.539 20 0 CDADHL C[C@@H](CC(=O)[O-])Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001589794870 1173181323 /nfs/dbraw/zinc/18/13/23/1173181323.db2.gz QNLTVYMDQZSRBP-YFKPBYRVSA-N -2 3 282.691 1.190 20 0 CDADHL C[C@@H](CC(=O)[O-])Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001589794870 1173181326 /nfs/dbraw/zinc/18/13/26/1173181326.db2.gz QNLTVYMDQZSRBP-YFKPBYRVSA-N -2 3 282.691 1.190 20 0 CDADHL Cc1cc(C)cc(-c2cc(=NC(=O)[C@H](C)C(=O)[O-])[nH][n-]2)c1 ZINC000566219377 316518681 /nfs/dbraw/zinc/51/86/81/316518681.db2.gz IETDFUQUHCNXER-JTQLQIEISA-N -2 3 287.319 1.775 20 0 CDADHL CC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000566794832 316679292 /nfs/dbraw/zinc/67/92/92/316679292.db2.gz GSPURTHZXVPCIY-LURJTMIESA-N -2 3 261.299 1.363 20 0 CDADHL CC[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000576231799 317101391 /nfs/dbraw/zinc/10/13/91/317101391.db2.gz UZPGIFRZAYFCFL-UHFFFAOYSA-N -2 3 261.274 1.131 20 0 CDADHL O=C1CCC(S(=O)(=O)[N-]c2c([O-])cccc2F)CC1 ZINC000708180950 1159182660 /nfs/dbraw/zinc/18/26/60/1159182660.db2.gz WGUOMXLTRSOXRI-UHFFFAOYSA-N -2 3 287.312 1.785 20 0 CDADHL Cc1ccoc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000291894092 534447261 /nfs/dbraw/zinc/44/72/61/534447261.db2.gz JYFKRQOMYJDTLV-UHFFFAOYSA-N -2 3 299.304 1.666 20 0 CDADHL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cncc(F)c1 ZINC000131858162 538762133 /nfs/dbraw/zinc/76/21/33/538762133.db2.gz PHPCAVYOPHKKPJ-MRVPVSSYSA-N -2 3 290.316 1.142 20 0 CDADHL CN(CCC(=O)[O-])c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000095294392 1174522566 /nfs/dbraw/zinc/52/25/66/1174522566.db2.gz FUYJFZAMVSJGLU-UHFFFAOYSA-N -2 3 281.703 1.431 20 0 CDADHL CN(CCC(=O)[O-])c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000095294392 1174522572 /nfs/dbraw/zinc/52/25/72/1174522572.db2.gz FUYJFZAMVSJGLU-UHFFFAOYSA-N -2 3 281.703 1.431 20 0 CDADHL O=C([O-])[C@H](C[N-]C(=O)C(F)(F)F)CC1CCCC1 ZINC001601647902 1174928864 /nfs/dbraw/zinc/92/88/64/1174928864.db2.gz FGVCSLYWGJTRCZ-QMMMGPOBSA-N -2 3 267.247 1.946 20 0 CDADHL O=C([O-])Cc1occc1C(=O)Nc1ncccc1[O-] ZINC001602156731 1175145287 /nfs/dbraw/zinc/14/52/87/1175145287.db2.gz VZPXAYDDCJSJQQ-UHFFFAOYSA-N -2 3 262.221 1.260 20 0 CDADHL O=C([O-])CCCCNC(=O)c1c([O-])cccc1O ZINC000232429374 598170635 /nfs/dbraw/zinc/17/06/35/598170635.db2.gz MVYCPPLLRWLPFY-UHFFFAOYSA-N -2 3 253.254 1.083 20 0 CDADHL O=C([O-])[C@@H]1CC12CCN(C(=O)c1ccccc1[O-])CC2 ZINC000405351007 600318874 /nfs/dbraw/zinc/31/88/74/600318874.db2.gz CTLYPFPJADKYDE-NSHDSACASA-N -2 3 275.304 1.719 20 0 CDADHL C[C@@H](CN(C)Cc1nc(=O)c2sccc2[n-]1)C(=O)[O-] ZINC000042704881 600506635 /nfs/dbraw/zinc/50/66/35/600506635.db2.gz UYIQOTCPHZKWTL-ZETCQYMHSA-N -2 3 281.337 1.549 20 0 CDADHL Cc1ccc(-c2nc(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])n[n-]2)o1 ZINC000832907537 602144166 /nfs/dbraw/zinc/14/41/66/602144166.db2.gz BJYARBXYVJLMIL-BQBZGAKWSA-N -2 3 276.252 1.032 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CCC(C(=O)[O-])CC2)n1 ZINC000818335943 602232873 /nfs/dbraw/zinc/23/28/73/602232873.db2.gz ZOMITSWQFOOMIS-UHFFFAOYSA-N -2 3 265.313 1.041 20 0 CDADHL C[C@@]1(C(=O)[O-])CCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000909655206 620574889 /nfs/dbraw/zinc/57/48/89/620574889.db2.gz OBZGACWTFFWRGK-AWEZNQCLSA-N -2 3 281.283 1.540 20 0 CDADHL CCc1cccc(C(=O)N(CC)CC(=O)[O-])c1[O-] ZINC001605825804 1163680073 /nfs/dbraw/zinc/68/00/73/1163680073.db2.gz HJYHYJHXMIAFDK-UHFFFAOYSA-N -2 3 251.282 1.501 20 0 CDADHL O=C([O-])Cc1ccc(NC([O-])=NO[C@H]2CCCCO2)cc1 ZINC001610793417 1165444228 /nfs/dbraw/zinc/44/42/28/1165444228.db2.gz WGHGKBLAWUCNKH-ZDUSSCGKSA-N -2 3 294.307 1.893 20 0 CDADHL CC(C)C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1F)C(=O)[O-] ZINC001589653700 1173165087 /nfs/dbraw/zinc/16/50/87/1173165087.db2.gz HNWFDSPFYUWAIC-SECBINFHSA-N -2 3 294.290 1.312 20 0 CDADHL CC(C)C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1F)C(=O)[O-] ZINC001589653700 1173165092 /nfs/dbraw/zinc/16/50/92/1173165092.db2.gz HNWFDSPFYUWAIC-SECBINFHSA-N -2 3 294.290 1.312 20 0 CDADHL CC(C)c1oncc1[N-]C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001589781023 1173179864 /nfs/dbraw/zinc/17/98/64/1173179864.db2.gz CNAAMZKYSUBVRA-UHFFFAOYSA-N -2 3 288.267 1.823 20 0 CDADHL CCCS(=O)(=O)[N-]c1scc(C)c1-c1nn[n-]n1 ZINC001590650055 1173483888 /nfs/dbraw/zinc/48/38/88/1173483888.db2.gz CFRBFISDALWFOQ-UHFFFAOYSA-N -2 3 287.370 1.388 20 0 CDADHL CCCS(=O)(=O)[N-]c1sc(C)cc1-c1nn[n-]n1 ZINC001590650225 1173485070 /nfs/dbraw/zinc/48/50/70/1173485070.db2.gz FQGGGEJCCILLOH-UHFFFAOYSA-N -2 3 287.370 1.388 20 0 CDADHL Cc1ccc(C[N-]C(=O)C(F)(F)F)cc1-c1nn[n-]n1 ZINC001592156320 1173816666 /nfs/dbraw/zinc/81/66/66/1173816666.db2.gz OMJFAHQQMFGZSJ-UHFFFAOYSA-N -2 3 285.229 1.354 20 0 CDADHL Cc1cc(=O)[n-]c(N2Cc3ccccc3[C@@H](C(=O)[O-])C2)n1 ZINC001600285576 1174438014 /nfs/dbraw/zinc/43/80/14/1174438014.db2.gz NOMBIRYTZAEIOZ-LBPRGKRZSA-N -2 3 285.303 1.679 20 0 CDADHL Cc1oc(CNCc2ncccc2[O-])cc1C(=O)[O-] ZINC001600852544 1174644288 /nfs/dbraw/zinc/64/42/88/1174644288.db2.gz VGUOAQJXTYQFDV-UHFFFAOYSA-N -2 3 262.265 1.677 20 0 CDADHL O=C([O-])[C@H](CCF)NC(=O)c1cc([O-])ccc1Cl ZINC001601415306 1174862557 /nfs/dbraw/zinc/86/25/57/1174862557.db2.gz XOTDBGQVHODSBF-VIFPVBQESA-N -2 3 275.663 1.588 20 0 CDADHL O=C([O-])c1cc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)ccn1 ZINC001601629076 1174916920 /nfs/dbraw/zinc/91/69/20/1174916920.db2.gz XULQYZUEBZMDBG-UHFFFAOYSA-N -2 3 298.258 1.614 20 0 CDADHL O=C([O-])c1ccc(COC(=O)c2cncc([O-])c2)c(F)c1 ZINC001602351620 1175221855 /nfs/dbraw/zinc/22/18/55/1175221855.db2.gz PYXHOPUSVWTZKJ-UHFFFAOYSA-N -2 3 291.234 1.982 20 0 CDADHL O=C([O-])[C@]12CCC[C@H]1CN(C(=O)c1c([O-])cccc1O)C2 ZINC001602621766 1175329129 /nfs/dbraw/zinc/32/91/29/1175329129.db2.gz CELQMPORZURWGB-VFZGTOFNSA-N -2 3 291.303 1.425 20 0 CDADHL CC(=O)c1ccc(-c2nn[n-]n2)cc1N[C@H](C)CC(=O)[O-] ZINC001602971064 1175465842 /nfs/dbraw/zinc/46/58/42/1175465842.db2.gz DBXZHACTLKAISJ-SSDOTTSWSA-N -2 3 289.295 1.344 20 0 CDADHL C[C@@H](Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001603684183 1175597907 /nfs/dbraw/zinc/59/79/07/1175597907.db2.gz UWGWMADVBZARKV-SSDOTTSWSA-N -2 3 273.296 1.629 20 0 CDADHL C[C@@H](Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001603684183 1175597911 /nfs/dbraw/zinc/59/79/11/1175597911.db2.gz UWGWMADVBZARKV-SSDOTTSWSA-N -2 3 273.296 1.629 20 0 CDADHL CCC1(C[N-]S(=O)(=O)c2occc2C(=O)[O-])CC1 ZINC000871993318 784375588 /nfs/dbraw/zinc/37/55/88/784375588.db2.gz HEXBNWDHPYWXHW-UHFFFAOYSA-N -2 3 273.310 1.446 20 0 CDADHL O=C([N-]OCc1cccnc1)C(=O)c1ccc([O-])cc1 ZINC000798301012 784812092 /nfs/dbraw/zinc/81/20/92/784812092.db2.gz LVTXOEPQLSTQEQ-UHFFFAOYSA-N -2 3 272.260 1.218 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C[C@@H]1CCCC12CC2 ZINC000871995313 786030078 /nfs/dbraw/zinc/03/00/78/786030078.db2.gz ROXNZUZUBHENIE-VIFPVBQESA-N -2 3 299.348 1.836 20 0 CDADHL C[C@@H](CC(=O)[O-])CC(=O)[N-]OCCC(F)(F)F ZINC000314663146 786743422 /nfs/dbraw/zinc/74/34/22/786743422.db2.gz AXSYTECZUNGLCX-ZCFIWIBFSA-N -2 3 257.208 1.488 20 0 CDADHL CC(C)(C)CN(CC(=O)[O-])C(=O)c1ccc(N)cc1[O-] ZINC000853060434 788474798 /nfs/dbraw/zinc/47/47/98/788474798.db2.gz YNRYTCDCFDIVNS-UHFFFAOYSA-N -2 3 280.324 1.547 20 0 CDADHL O=C(Nc1ccccc1-c1nnn[n-]1)c1ccncc1[O-] ZINC001188636847 921139127 /nfs/dbraw/zinc/13/91/27/921139127.db2.gz NLQOUYODJYFRKK-UHFFFAOYSA-N -2 3 282.263 1.220 20 0 CDADHL O=C(Nc1ccccc1-c1nn[n-]n1)c1ccncc1[O-] ZINC001188636847 921139131 /nfs/dbraw/zinc/13/91/31/921139131.db2.gz NLQOUYODJYFRKK-UHFFFAOYSA-N -2 3 282.263 1.220 20 0 CDADHL O=C1CCCC[C@H]1Oc1nc2ncnc-2c([S-])[n-]1 ZINC001226780805 905624431 /nfs/dbraw/zinc/62/44/31/905624431.db2.gz AAFHEISMTXNRHX-SSDOTTSWSA-N -2 3 264.310 1.532 20 0 CDADHL O=C(NCCCC[P@](=O)([O-])O)c1ccc([O-])c(F)c1 ZINC001186233154 919936045 /nfs/dbraw/zinc/93/60/45/919936045.db2.gz DOEXDKATHURPAC-UHFFFAOYSA-N -2 3 291.215 1.219 20 0 CDADHL O=C(NCCCC[P@@](=O)([O-])O)c1ccc([O-])c(F)c1 ZINC001186233154 919936056 /nfs/dbraw/zinc/93/60/56/919936056.db2.gz DOEXDKATHURPAC-UHFFFAOYSA-N -2 3 291.215 1.219 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1ccc([O-])c(F)c1 ZINC001186233154 919936064 /nfs/dbraw/zinc/93/60/64/919936064.db2.gz DOEXDKATHURPAC-UHFFFAOYSA-N -3 3 291.215 1.219 20 0 CDADHL CC(=O)c1cccc([O-])c1NC(=O)c1cc(=O)n(C)[n-]1 ZINC001194200782 924115442 /nfs/dbraw/zinc/11/54/42/924115442.db2.gz FWPZDRXEOIJUSM-UHFFFAOYSA-N -2 3 275.264 1.286 20 0 CDADHL CC1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC001195187130 924490004 /nfs/dbraw/zinc/49/00/04/924490004.db2.gz PADWQMRORDOVQG-UHFFFAOYSA-N -2 3 291.275 1.494 20 0 CDADHL Cc1cc(C)cc(NC(=S)NCCP(=O)([O-])[O-])c1 ZINC001201209607 926221360 /nfs/dbraw/zinc/22/13/60/926221360.db2.gz MXVVJNPFIFZSOI-UHFFFAOYSA-N -2 3 288.309 1.768 20 0 CDADHL O=C([O-])[C@@H]1CCCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000780686143 937202198 /nfs/dbraw/zinc/20/21/98/937202198.db2.gz JWPJRXNQORQFAM-NSHDSACASA-N -2 3 296.298 1.680 20 0 CDADHL NC(=O)c1ccc(Nc2cnc(F)c(C(=O)[O-])c2)cc1[O-] ZINC001215117757 940858504 /nfs/dbraw/zinc/85/85/04/940858504.db2.gz JHMJYLPMODLKKM-UHFFFAOYSA-N -2 3 291.238 1.467 20 0 CDADHL C[C@@H](OCCCCP(=O)([O-])[O-])C1CCOCC1 ZINC001225022380 941815968 /nfs/dbraw/zinc/81/59/68/941815968.db2.gz OEGCXXDYPABDNV-SNVBAGLBSA-N -2 3 266.274 1.776 20 0 CDADHL [S-]c1[n-]c(O[C@H]2COc3cnccc32)nc2ncnc1-2 ZINC001226783118 942070231 /nfs/dbraw/zinc/07/02/31/942070231.db2.gz VMNGFFZOWNOFFY-QMMMGPOBSA-N -2 3 287.304 1.549 20 0 CDADHL C[C@@H](COc1ccccc1)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227566610 942189887 /nfs/dbraw/zinc/18/98/87/942189887.db2.gz IXLCPGPADCASQX-QMMMGPOBSA-N -2 3 263.253 1.129 20 0 CDADHL C[C@H](COc1[n-]c(=O)nc2cn[n-]c21)Oc1ccccc1 ZINC001233940635 943696962 /nfs/dbraw/zinc/69/69/62/943696962.db2.gz YGOBBUIOBJSVIY-SECBINFHSA-N -2 3 286.291 1.493 20 0 CDADHL O=c1cc(C[N-]S(=O)(=O)c2ccc(Cl)s2)o[n-]1 ZINC001256534259 948339336 /nfs/dbraw/zinc/33/93/36/948339336.db2.gz YTJQYJMCAWOWKF-UHFFFAOYSA-N -2 3 294.741 1.574 20 0 CDADHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1cc(Cl)ccc1F ZINC001362720659 971559451 /nfs/dbraw/zinc/55/94/51/971559451.db2.gz SFZUSWZSSUHSEQ-UHFFFAOYSA-N -2 3 297.673 1.610 20 0 CDADHL CCS(=O)(=O)[N-]c1ccc(Br)cc1[O-] ZINC001253344600 951852368 /nfs/dbraw/zinc/85/23/68/951852368.db2.gz SRPYOZOAUAKPGE-UHFFFAOYSA-N -2 3 280.143 1.916 20 0 CDADHL COc1cccc([O-])c1C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000404616844 953378772 /nfs/dbraw/zinc/37/87/72/953378772.db2.gz ITWKHKRFMBSNJM-MRVPVSSYSA-N -2 3 267.281 1.194 20 0 CDADHL CC1(C)C[C@]1(C(=O)[O-])C(=O)NCc1ccc([O-])c(F)c1 ZINC001589217299 956732893 /nfs/dbraw/zinc/73/28/93/956732893.db2.gz HELQPOAAGHOVLS-CQSZACIVSA-N -2 3 281.283 1.648 20 0 CDADHL CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001589219339 956755447 /nfs/dbraw/zinc/75/54/47/956755447.db2.gz YHOGFYOHRZHNRV-AWEZNQCLSA-N -2 3 289.291 1.708 20 0 CDADHL C[C@H](CC(=O)[O-])NC(=O)NCc1ccc([O-])c(F)c1 ZINC001603125291 972213140 /nfs/dbraw/zinc/21/31/40/972213140.db2.gz GENCGHZWVNXKRI-SSDOTTSWSA-N -2 3 270.260 1.194 20 0 CDADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-][C@H](C)C(F)F ZINC000389658507 972237234 /nfs/dbraw/zinc/23/72/34/972237234.db2.gz COHISVBZAQKSQK-SCSAIBSYSA-N -2 3 283.252 1.218 20 0 CDADHL COc1ccc(C(=O)N[C@H]2CCC[C@@H]2C(=O)[O-])c([O-])c1 ZINC000070522727 957676988 /nfs/dbraw/zinc/67/69/88/957676988.db2.gz JLQYTQZAAOVOQS-ONGXEEELSA-N -2 3 279.292 1.384 20 0 CDADHL O=C([O-])[C@@H]1CC[C@H]1C(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC001574770403 957754386 /nfs/dbraw/zinc/75/43/86/957754386.db2.gz LICLDJNQRCVNIM-RNFRBKRXSA-N -2 3 276.252 1.114 20 0 CDADHL CC(=O)c1ccc(C(=O)Nc2cc(C(=O)[O-])n[nH]2)cc1[O-] ZINC001573360236 958591793 /nfs/dbraw/zinc/59/17/93/958591793.db2.gz QCYXECNMJYUNBG-UHFFFAOYSA-N -2 3 289.247 1.268 20 0 CDADHL Cc1nc(N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc(=O)[n-]1 ZINC000163325126 959232211 /nfs/dbraw/zinc/23/22/11/959232211.db2.gz QOXUYLKJKIERKM-SNVBAGLBSA-N -2 3 279.340 1.818 20 0 CDADHL CCOc1nc(NC(=O)c2ccsc2CC(=O)[O-])n[n-]1 ZINC001571057633 960745167 /nfs/dbraw/zinc/74/51/67/960745167.db2.gz KBIXZXDMVVMGRS-UHFFFAOYSA-N -2 3 296.308 1.144 20 0 CDADHL CCOc1n[n-]c(NC(=O)c2ccsc2CC(=O)[O-])n1 ZINC001571057633 960745183 /nfs/dbraw/zinc/74/51/83/960745183.db2.gz KBIXZXDMVVMGRS-UHFFFAOYSA-N -2 3 296.308 1.144 20 0 CDADHL CCOc1nnc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)[n-]1 ZINC001573925883 961549574 /nfs/dbraw/zinc/54/95/74/961549574.db2.gz FSQVGPGAXZZZCQ-UHFFFAOYSA-N -2 3 290.279 1.462 20 0 CDADHL CCOc1nc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)n[n-]1 ZINC001573925883 961549587 /nfs/dbraw/zinc/54/95/87/961549587.db2.gz FSQVGPGAXZZZCQ-UHFFFAOYSA-N -2 3 290.279 1.462 20 0 CDADHL CCOc1n[n-]c(NC(=O)c2cc(C)cc(C(=O)[O-])c2)n1 ZINC001573925883 961549595 /nfs/dbraw/zinc/54/95/95/961549595.db2.gz FSQVGPGAXZZZCQ-UHFFFAOYSA-N -2 3 290.279 1.462 20 0 CDADHL CC(C)c1ncsc1C(=O)NCc1nc([O-])cc(=O)[n-]1 ZINC001454187445 968442608 /nfs/dbraw/zinc/44/26/08/968442608.db2.gz DEIUSEFAYPPYOD-UHFFFAOYSA-N -2 3 294.336 1.398 20 0 CDADHL Cc1cc(F)c(CN[C@@H](CC(=O)[O-])C(=O)[O-])c(F)c1 ZINC001605178683 972888197 /nfs/dbraw/zinc/88/81/97/972888197.db2.gz CGONTGDFJHBUBX-JTQLQIEISA-N -2 3 273.235 1.291 20 0 CDADHL CC(C)C(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694174978 976676207 /nfs/dbraw/zinc/67/62/07/976676207.db2.gz AJPHCJLOXQATHG-UHFFFAOYSA-N -2 3 289.353 1.938 20 0 CDADHL CCC[C@H](NC(=O)c1c(C)cccc1[O-])C(=O)[O-] ZINC000706571950 977355004 /nfs/dbraw/zinc/35/50/04/977355004.db2.gz JJBULZOXAWOVLT-VIFPVBQESA-N -2 3 251.282 1.684 20 0 CDADHL CC[C@@H](Nc1ncc(Cl)c(C)c1-c1nnn[n-]1)C(=O)[O-] ZINC001604484909 1163202513 /nfs/dbraw/zinc/20/25/13/1163202513.db2.gz AWXPLNFQWLWVEU-SSDOTTSWSA-N -2 3 296.718 1.499 20 0 CDADHL CC[C@@H](Nc1ncc(Cl)c(C)c1-c1nn[n-]n1)C(=O)[O-] ZINC001604484909 1163202521 /nfs/dbraw/zinc/20/25/21/1163202521.db2.gz AWXPLNFQWLWVEU-SSDOTTSWSA-N -2 3 296.718 1.499 20 0 CDADHL CCN(CCC(=O)[O-])Cc1c(F)ccc([O-])c1F ZINC001596314721 983745508 /nfs/dbraw/zinc/74/55/08/983745508.db2.gz FSFALFQPLTYAFG-UHFFFAOYSA-N -2 3 259.252 1.967 20 0 CDADHL CSc1nsc([N-]C(=O)c2ccoc2CC(=O)[O-])n1 ZINC001599830293 988662673 /nfs/dbraw/zinc/66/26/73/988662673.db2.gz MDMUHWBVYNRHLN-UHFFFAOYSA-N -2 3 299.333 1.732 20 0 CDADHL CCc1oc(CN2CCC[C@H](C(=O)[O-])C2)cc1C(=O)[O-] ZINC001597799074 989378162 /nfs/dbraw/zinc/37/81/62/989378162.db2.gz LURBKKMSYRLVQL-VIFPVBQESA-N -2 3 281.308 1.837 20 0 CDADHL CCc1onc(C)c1[N-]C(=O)c1csc(C(=O)[O-])n1 ZINC001597815740 989442953 /nfs/dbraw/zinc/44/29/53/989442953.db2.gz HOHUEPIOKSTVGV-UHFFFAOYSA-N -2 3 281.293 1.952 20 0 CDADHL CC[C@@H](C)[C@H](OC(=O)c1cccc2nn[n-]c21)C(=O)[O-] ZINC001604943406 1163390944 /nfs/dbraw/zinc/39/09/44/1163390944.db2.gz JOHNJCJYLKPHCR-HQJQHLMTSA-N -2 3 277.280 1.614 20 0 CDADHL CC[C@@H](C)[C@H](OC(=O)c1cccc2n[n-]nc21)C(=O)[O-] ZINC001604943406 1163390947 /nfs/dbraw/zinc/39/09/47/1163390947.db2.gz JOHNJCJYLKPHCR-HQJQHLMTSA-N -2 3 277.280 1.614 20 0 CDADHL CC1(C)CO[C@H](CCC(=O)[N-]OCCCC(=O)[O-])C1 ZINC001593954941 997049610 /nfs/dbraw/zinc/04/96/10/997049610.db2.gz QIWKRZYUVGYRHC-SNVBAGLBSA-N -2 3 273.329 1.494 20 0 CDADHL CC1([N-]S(=O)(=O)c2occc2C(=O)[O-])CC=CC1 ZINC001594065641 997870612 /nfs/dbraw/zinc/87/06/12/997870612.db2.gz ASVGPONMPMBBIF-UHFFFAOYSA-N -2 3 271.294 1.365 20 0 CDADHL CCc1cc(=O)[n-]c(CN(CC(=O)[O-])[C@H](C)CC)n1 ZINC000236857354 342056956 /nfs/dbraw/zinc/05/69/56/342056956.db2.gz NCUDUECMKBFEMD-SECBINFHSA-N -2 3 267.329 1.430 20 0 CDADHL CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134696314 342071302 /nfs/dbraw/zinc/07/13/02/342071302.db2.gz NOZNLXGLIPTVDF-RNFRBKRXSA-N -2 3 292.382 1.554 20 0 CDADHL COc1ccc([O-])c(C(=O)N(C)[C@H](C)CC(=O)[O-])c1 ZINC000572498386 362160334 /nfs/dbraw/zinc/16/03/34/362160334.db2.gz QRRVEBPDYUXJJF-MRVPVSSYSA-N -2 3 267.281 1.336 20 0 CDADHL O=C([O-])C[C@H](NCc1c(F)cccc1Cl)C(=O)[O-] ZINC000075424097 1172117022 /nfs/dbraw/zinc/11/70/22/1172117022.db2.gz QNABTHISMFCZCF-VIFPVBQESA-N -2 3 275.663 1.497 20 0 CDADHL Cc1ccc([O-])c(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000019274965 356478816 /nfs/dbraw/zinc/47/88/16/356478816.db2.gz KKSYWSDGMFVQEM-SNVBAGLBSA-N -2 3 263.293 1.637 20 0 CDADHL COc1ccc([O-])c(C(=O)N2CC[C@@H](C(=O)[O-])[C@H]2C)c1 ZINC000092919642 357748255 /nfs/dbraw/zinc/74/82/55/357748255.db2.gz RTFKTZQXUGFJSV-PSASIEDQSA-N -2 3 279.292 1.336 20 0 CDADHL C[C@@H](NC(=O)c1ccc2c(c1[O-])CCCC2)C(=O)[O-] ZINC000263454992 359283566 /nfs/dbraw/zinc/28/35/66/359283566.db2.gz UHXNOHAISGRPAA-MRVPVSSYSA-N -2 3 263.293 1.474 20 0 CDADHL C[C@@H](O[C@@H](C)C(=O)[O-])C(=O)Nc1cc(F)ccc1[O-] ZINC000421803934 359433002 /nfs/dbraw/zinc/43/30/02/359433002.db2.gz IVPAYXJEXZUIJW-RQJHMYQMSA-N -2 3 271.244 1.348 20 0 CDADHL C[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc3n[n-]nc3c2)C1 ZINC000062868934 360016449 /nfs/dbraw/zinc/01/64/49/360016449.db2.gz AYZFSIZYYUPPKA-AWEZNQCLSA-N -2 3 288.307 1.285 20 0 CDADHL Cc1ncc(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])s1 ZINC000230275927 360280719 /nfs/dbraw/zinc/28/07/19/360280719.db2.gz LDVMNJPUHXRCNK-QMMMGPOBSA-N -2 3 292.382 1.229 20 0 CDADHL C[C@]1(C(=O)[O-])CCN(C(=O)N=c2cc3ccccn3[n-]2)C1 ZINC000516023929 360554016 /nfs/dbraw/zinc/55/40/16/360554016.db2.gz FFDZJNNUSPSWPO-AWEZNQCLSA-N -2 3 288.307 1.085 20 0 CDADHL C[C@H](Oc1ccc(Cl)cc1)C(=O)N=c1ccc([O-])n[n-]1 ZINC000429087232 360751911 /nfs/dbraw/zinc/75/19/11/360751911.db2.gz JHKPHRGVKPEOHV-QMMMGPOBSA-N -2 3 293.710 1.664 20 0 CDADHL Cc1cc(=NC(=O)c2cnc3c(C)cccc3c2[O-])[n-]o1 ZINC000361265318 368720393 /nfs/dbraw/zinc/72/03/93/368720393.db2.gz IYWBPKPNXLZDSR-UHFFFAOYSA-N -2 3 283.287 1.807 20 0 CDADHL Cc1cc(=NC(=O)c2c[n-]c3c(C)cccc3c2=O)[n-]o1 ZINC000361265318 368720398 /nfs/dbraw/zinc/72/03/98/368720398.db2.gz IYWBPKPNXLZDSR-UHFFFAOYSA-N -2 3 283.287 1.807 20 0 CDADHL CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000571707847 294491486 /nfs/dbraw/zinc/49/14/86/294491486.db2.gz MLFWOZNWLCEUIZ-BDAKNGLRSA-N -2 3 275.326 1.447 20 0 CDADHL O=C([O-])CC1([N-]S(=O)(=O)c2ccco2)CCCC1 ZINC000580832057 372707199 /nfs/dbraw/zinc/70/71/99/372707199.db2.gz OAACPRNLPYOWCS-UHFFFAOYSA-N -2 3 273.310 1.345 20 0 CDADHL CC(=O)c1ccc(C(=O)[N-]c2n[n-]c(C(F)(F)F)n2)o1 ZINC000446109686 250270213 /nfs/dbraw/zinc/27/02/13/250270213.db2.gz TWQYVAZHFVXIDN-UHFFFAOYSA-N -2 3 288.185 1.871 20 0 CDADHL O=C(/C=C/c1cncc([O-])c1)[N-]O[C@@H]1CCCCO1 ZINC000181949353 391197202 /nfs/dbraw/zinc/19/72/02/391197202.db2.gz CRCXINADUODVFM-MUBLQREKSA-N -2 3 264.281 1.375 20 0 CDADHL C/C=C/C[C@H]([N-]S(=O)(=O)c1cc(C)cs1)C(=O)[O-] ZINC000646041456 391927822 /nfs/dbraw/zinc/92/78/22/391927822.db2.gz YNPHQLLBPGHVGJ-NWALNABHSA-N -2 3 289.378 1.754 20 0 CDADHL Cc1csc(S(=O)(=O)[N-]C[C@H](C)CC(=O)[O-])c1 ZINC000574410734 392591045 /nfs/dbraw/zinc/59/10/45/392591045.db2.gz GXJXCXVFTOPBPZ-SSDOTTSWSA-N -2 3 277.367 1.446 20 0 CDADHL O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1cccc([O-])c1 ZINC000022145551 171356443 /nfs/dbraw/zinc/35/64/43/171356443.db2.gz WLACRQSLQIYUBE-CQSZACIVSA-N -2 3 285.299 1.818 20 0 CDADHL O=C([O-])[C@@]1(C(=O)Nc2ncccc2[O-])CC=CCC1 ZINC000653310128 424553016 /nfs/dbraw/zinc/55/30/16/424553016.db2.gz VLIJQIOGMGNELW-ZDUSSCGKSA-N -2 3 262.265 1.537 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CC[C@H]3C[C@H]3C2)o1 ZINC000404047945 289444943 /nfs/dbraw/zinc/44/49/43/289444943.db2.gz IENLMERVXMWVGW-KXUCPTDWSA-N -2 3 299.348 1.692 20 0 CDADHL Cc1csc(S(=O)(=O)[N-]CCCCC(=O)[O-])c1 ZINC000578960503 324065360 /nfs/dbraw/zinc/06/53/60/324065360.db2.gz FIKVZSWICJPKHE-UHFFFAOYSA-N -2 3 277.367 1.590 20 0 CDADHL Cc1cccc(C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)c1[O-] ZINC000579712192 324262006 /nfs/dbraw/zinc/26/20/06/324262006.db2.gz JXWYXCYJFUFZAU-JOYOIKCWSA-N -2 3 277.320 1.883 20 0 CDADHL CCC(CC)(C(=O)[O-])C(=O)Nc1ncccc1[O-] ZINC000653309645 482425940 /nfs/dbraw/zinc/42/59/40/482425940.db2.gz INQXRZULIDJNSL-UHFFFAOYSA-N -2 3 252.270 1.617 20 0 CDADHL Cc1ccc([O-])c(C(=O)Nc2ccn(CC(=O)[O-])n2)c1 ZINC000677794026 482780286 /nfs/dbraw/zinc/78/02/86/482780286.db2.gz HCLXNPGVQKTFPM-UHFFFAOYSA-N -2 3 275.264 1.234 20 0 CDADHL Cc1ccc(C(=O)NC[C@@H](C(=O)[O-])C(C)C)c([O-])c1 ZINC000087477814 482858597 /nfs/dbraw/zinc/85/85/97/482858597.db2.gz KUASDBBNLBOFKL-LLVKDONJSA-N -2 3 265.309 1.787 20 0 CDADHL CCC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)CC1 ZINC000233069075 482903946 /nfs/dbraw/zinc/90/39/46/482903946.db2.gz MDOCCRCJTWWGJQ-UHFFFAOYSA-N -2 3 289.378 1.915 20 0 CDADHL C[C@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C1CCC1 ZINC000137671039 483532640 /nfs/dbraw/zinc/53/26/40/483532640.db2.gz WZAWQWBKEYPWSA-LURJTMIESA-N -2 3 290.366 1.308 20 0 CDADHL Cc1[nH]nc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1[O-] ZINC000676692841 483562128 /nfs/dbraw/zinc/56/21/28/483562128.db2.gz GQNDCVAUFVKNJA-UHFFFAOYSA-N -2 3 299.290 1.772 20 0 CDADHL CC1N=NC(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)=C1[O-] ZINC000676692841 483562132 /nfs/dbraw/zinc/56/21/32/483562132.db2.gz GQNDCVAUFVKNJA-UHFFFAOYSA-N -2 3 299.290 1.772 20 0 CDADHL Cc1cc(C)c(O)c([N-]S(=O)(=O)CCC(=O)[O-])c1 ZINC001600163558 1174384751 /nfs/dbraw/zinc/38/47/51/1174384751.db2.gz PHGMFSAFKMGRJB-UHFFFAOYSA-N -2 3 273.310 1.225 20 0 CDADHL O=C(OCc1cc(=O)c([O-])co1)c1ccc([O-])cc1F ZINC000773572888 575827275 /nfs/dbraw/zinc/82/72/75/575827275.db2.gz ZAFXWIGZOKLGPF-UHFFFAOYSA-N -2 3 280.207 1.547 20 0 CDADHL Cc1ccc([O-])c(C(=O)NCCSCCC(=O)[O-])c1 ZINC000738635603 576098223 /nfs/dbraw/zinc/09/82/23/576098223.db2.gz GELBAOQPTUQSQJ-UHFFFAOYSA-N -2 3 283.349 1.638 20 0 CDADHL O=C([O-])CCCNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000036973421 597281238 /nfs/dbraw/zinc/28/12/38/597281238.db2.gz RUBSXDGICPIEPP-UHFFFAOYSA-N -2 3 274.276 1.123 20 0 CDADHL CCc1cccc(C(=O)N2CCC[C@@H]2C(=O)[O-])c1[O-] ZINC000820485769 598146918 /nfs/dbraw/zinc/14/69/18/598146918.db2.gz NQGSBPKTQQJLFU-LLVKDONJSA-N -2 3 263.293 1.644 20 0 CDADHL CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1cccnc1Cl ZINC000084147237 600798239 /nfs/dbraw/zinc/79/82/39/600798239.db2.gz VQZTUIGYJJRLBE-UHFFFAOYSA-N -2 3 292.744 1.267 20 0 CDADHL O=C([O-])C[C@@H](NC(=O)c1cn[n-]n1)c1cccc(Cl)c1 ZINC000833200045 600800193 /nfs/dbraw/zinc/80/01/93/600800193.db2.gz ZTBODOJFYKBFMZ-SECBINFHSA-N -2 3 294.698 1.404 20 0 CDADHL CCc1ccc([O-])c(C(=O)N2CCO[C@H](CC(=O)[O-])C2)c1 ZINC000830253733 601760112 /nfs/dbraw/zinc/76/01/12/601760112.db2.gz LLCXNUMNNZCECI-LLVKDONJSA-N -2 3 293.319 1.270 20 0 CDADHL COc1ccc([O-])c(C(=O)Nc2cc(C(=O)[O-])n(C)c2)c1 ZINC000832424363 601760911 /nfs/dbraw/zinc/76/09/11/601760911.db2.gz BAPLQOGCFIXIDD-UHFFFAOYSA-N -2 3 290.275 1.690 20 0 CDADHL CCc1cccc(C(=O)N2C[C@H](C)[C@@H](C(=O)[O-])C2)c1[O-] ZINC000830259696 601801539 /nfs/dbraw/zinc/80/15/39/601801539.db2.gz DDIXRWBYBCAGJT-CABZTGNLSA-N -2 3 277.320 1.747 20 0 CDADHL Cc1ccc(-c2nc(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])n[n-]2)o1 ZINC000832907541 602144209 /nfs/dbraw/zinc/14/42/09/602144209.db2.gz BJYARBXYVJLMIL-RQJHMYQMSA-N -2 3 276.252 1.032 20 0 CDADHL COC[C@](C)(CC(=O)[O-])NC(=O)c1ccccc1[O-] ZINC000833722364 604720805 /nfs/dbraw/zinc/72/08/05/604720805.db2.gz SIOXISXTSJYHKH-ZDUSSCGKSA-N -2 3 267.281 1.002 20 0 CDADHL C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909130512 628526112 /nfs/dbraw/zinc/52/61/12/628526112.db2.gz LIWUKUYIYINGII-MRVPVSSYSA-N -2 3 269.272 1.443 20 0 CDADHL Cc1n[nH]c(C)c1NC(=O)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001606009734 1163742826 /nfs/dbraw/zinc/74/28/26/1163742826.db2.gz OUQRPWRXWYGCRX-UHFFFAOYSA-N -2 3 299.294 1.165 20 0 CDADHL CC(C)c1nc(CNC[C@H](CC(=O)[O-])C(=O)[O-])cs1 ZINC001647412814 1168662484 /nfs/dbraw/zinc/66/24/84/1168662484.db2.gz BOGAQINELCMTHN-QMMMGPOBSA-N -2 3 286.353 1.532 20 0 CDADHL Cc1ccc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])[C@@H]3C[C@@H]32)c([O-])c1 ZINC001600342414 1174448636 /nfs/dbraw/zinc/44/86/36/1174448636.db2.gz OZFFHQQEXZRIAE-KXNHARMFSA-N -2 3 275.304 1.540 20 0 CDADHL Cc1[nH]nc(S(=O)(=O)[N-]C[C@H]2CC=CCC2)c1C(=O)[O-] ZINC001600673247 1174558817 /nfs/dbraw/zinc/55/88/17/1174558817.db2.gz CYKPULXGHGAHFT-VIFPVBQESA-N -2 3 299.352 1.051 20 0 CDADHL O=C([O-])CN(C(=O)c1cccc2n[n-]nc21)c1ccccc1 ZINC001602051806 1175119213 /nfs/dbraw/zinc/11/92/13/1175119213.db2.gz LRMHTTBAORKTBO-UHFFFAOYSA-N -2 3 296.286 1.689 20 0 CDADHL CC(=O)c1ccc(C(=O)N[C@H]2CC[C@H]2C(=O)[O-])cc1[O-] ZINC001603108075 1175492053 /nfs/dbraw/zinc/49/20/53/1175492053.db2.gz SNYJNTSKQNJBIR-MNOVXSKESA-N -2 3 277.276 1.188 20 0 CDADHL CC(=O)c1ccc(C(=O)NC2CC(C(=O)[O-])C2)cc1[O-] ZINC001603108740 1175493115 /nfs/dbraw/zinc/49/31/15/1175493115.db2.gz DITVJAHFFRALAT-UHFFFAOYSA-N -2 3 277.276 1.188 20 0 CDADHL C[C@H](CN(C)c1cccc(F)c1-c1nnn[n-]1)C(=O)[O-] ZINC001603511714 1175561293 /nfs/dbraw/zinc/56/12/93/1175561293.db2.gz GCSMTSZPQDPGEU-SSDOTTSWSA-N -2 3 279.275 1.163 20 0 CDADHL C[C@H](CN(C)c1cccc(F)c1-c1nn[n-]n1)C(=O)[O-] ZINC001603511714 1175561302 /nfs/dbraw/zinc/56/13/02/1175561302.db2.gz GCSMTSZPQDPGEU-SSDOTTSWSA-N -2 3 279.275 1.163 20 0 CDADHL CC(C)(CS(=O)(=O)[N-]c1cccc(F)c1F)C(=O)[O-] ZINC001603659727 1175587528 /nfs/dbraw/zinc/58/75/28/1175587528.db2.gz IMKMANHSLHJUAL-UHFFFAOYSA-N -2 3 293.291 1.817 20 0 CDADHL COc1cccc([O-])c1C(=O)N[C@@H]1CCC[C@@]1(C)C(=O)[O-] ZINC000404597402 1186526850 /nfs/dbraw/zinc/52/68/50/1186526850.db2.gz SGIDTPWHYRNKEF-IAQYHMDHSA-N -2 3 293.319 1.774 20 0 CDADHL O=C([O-])CCC[C@@H](NCc1csc(C2CC2)n1)C(=O)[O-] ZINC001771911502 1186949006 /nfs/dbraw/zinc/94/90/06/1186949006.db2.gz MXORKGIVLURFEB-SNVBAGLBSA-N -2 3 298.364 1.818 20 0 CDADHL CCc1ccc(C(=O)N[C@@](C)(COC)C(=O)[O-])c([O-])c1 ZINC001610060368 1165199417 /nfs/dbraw/zinc/19/94/17/1165199417.db2.gz PMVJBQJIVMHJPG-AWEZNQCLSA-N -2 3 281.308 1.174 20 0 CDADHL CCNC(=O)[N-][N-]S(=O)(=O)c1ccc(Cl)cc1C ZINC000049152364 793981411 /nfs/dbraw/zinc/98/14/11/793981411.db2.gz HNQBDGCPTJIEGP-UHFFFAOYSA-N -2 3 291.760 1.161 20 0 CDADHL CCOc1cccc(F)c1CNC[C@H](CC(=O)[O-])C(=O)[O-] ZINC001647414402 1168665490 /nfs/dbraw/zinc/66/54/90/1168665490.db2.gz QGAQWJBHCDYZFT-VIFPVBQESA-N -2 3 299.298 1.490 20 0 CDADHL CSCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694157762 898103508 /nfs/dbraw/zinc/10/35/08/898103508.db2.gz AEKGRRIHZFLBJW-SSDOTTSWSA-N -2 3 293.366 1.398 20 0 CDADHL C[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(C)(C)C ZINC000694175629 898126695 /nfs/dbraw/zinc/12/66/95/898126695.db2.gz GCWLOLMZQIGWAH-QMMMGPOBSA-N -2 3 289.353 1.938 20 0 CDADHL CCOC(=O)[C@H]1CC[C@@H](OCCCCP(=O)([O-])[O-])C1 ZINC001225018922 911593718 /nfs/dbraw/zinc/59/37/18/911593718.db2.gz LRLFRRGGAZTKEA-WDEREUQCSA-N -2 3 294.284 1.693 20 0 CDADHL O=S(=O)([N-]c1cccc([O-])c1Cl)c1c[nH]cn1 ZINC001187760926 920652786 /nfs/dbraw/zinc/65/27/86/920652786.db2.gz HHPABUNJQGUZDX-UHFFFAOYSA-N -2 3 273.701 1.570 20 0 CDADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccoc1 ZINC001188617587 921096191 /nfs/dbraw/zinc/09/61/91/921096191.db2.gz MTBRUTUIFFXGNI-UHFFFAOYSA-N -2 3 297.288 1.573 20 0 CDADHL COc1ccc(S(=O)(=O)[N-]c2ccc(F)c([O-])c2)cn1 ZINC001195722592 924701195 /nfs/dbraw/zinc/70/11/95/924701195.db2.gz BFALSWVDNNWTOZ-UHFFFAOYSA-N -2 3 298.295 1.736 20 0 CDADHL O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1ccc([O-])cn1 ZINC001149665742 937198278 /nfs/dbraw/zinc/19/82/78/937198278.db2.gz ZKFVKYNZQMHHQQ-UHFFFAOYSA-N -2 3 296.286 1.931 20 0 CDADHL Cc1nc(Nc2cc(C(=O)[O-])cnc2F)cc(=O)[n-]1 ZINC001215122940 940858207 /nfs/dbraw/zinc/85/82/07/940858207.db2.gz QAQNFNSZZCSFTP-UHFFFAOYSA-N -2 3 264.216 1.467 20 0 CDADHL O=P([O-])([O-])CCOC[C@@H]1Cc2ccccc2O1 ZINC001224606728 941775779 /nfs/dbraw/zinc/77/57/79/941775779.db2.gz RFBCIFLJRFTBDW-JTQLQIEISA-N -2 3 258.210 1.184 20 0 CDADHL O=c1nc(O[C@@H](c2ccccc2)C2CC2)[n-]c(=O)[n-]1 ZINC001227569254 942191197 /nfs/dbraw/zinc/19/11/97/942191197.db2.gz WVHOUZUUEYTXOP-JTQLQIEISA-N -2 3 259.265 1.813 20 0 CDADHL COC(C)(C)C[C@@H](C)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233942351 943696553 /nfs/dbraw/zinc/69/65/53/943696553.db2.gz BEOWIJPXNJIOHS-SSDOTTSWSA-N -2 3 266.301 1.229 20 0 CDADHL O=S(=O)([N-]c1cncc([O-])c1)c1ccc2c(c1)OCO2 ZINC001259843854 945663060 /nfs/dbraw/zinc/66/30/60/945663060.db2.gz ITGNXMPQYAHUAH-UHFFFAOYSA-N -2 3 294.288 1.317 20 0 CDADHL O=C([O-])C[C@H](NCc1cn2cc(Cl)ccc2n1)C(=O)[O-] ZINC001595128691 952023537 /nfs/dbraw/zinc/02/35/37/952023537.db2.gz BKDDPBAGWAHCPU-VIFPVBQESA-N -2 3 297.698 1.005 20 0 CDADHL CCc1ccc(C(=O)N(C)C[C@H](C)C(=O)[O-])c([O-])c1 ZINC001593633431 953591975 /nfs/dbraw/zinc/59/19/75/953591975.db2.gz DFDDVFVFMSIIGP-VIFPVBQESA-N -2 3 265.309 1.747 20 0 CDADHL CCc1ccc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)c([O-])c1 ZINC001593635365 953607523 /nfs/dbraw/zinc/60/75/23/953607523.db2.gz NWHPOLXFWJZMKN-HNNXBMFYSA-N -2 3 277.320 1.891 20 0 CDADHL CN(CCC(=O)[O-])Cc1ncc(Br)cc1[O-] ZINC001593740129 954353169 /nfs/dbraw/zinc/35/31/69/954353169.db2.gz XPQGEIGYBBAEAF-UHFFFAOYSA-N -2 3 289.129 1.456 20 0 CDADHL O=C([O-])[C@H]1C[C@H](NC(=O)c2cc(=O)[n-]cn2)c2ccccc21 ZINC001594726887 957014926 /nfs/dbraw/zinc/01/49/26/957014926.db2.gz PCHVALRKJYGXFX-QWRGUYRKSA-N -2 3 299.286 1.225 20 0 CDADHL C[C@H]1CCN(C(=O)c2ccc(O)cc2[O-])[C@@H](C(=O)[O-])C1 ZINC000125483285 958565807 /nfs/dbraw/zinc/56/58/07/958565807.db2.gz JNOPNKSWFBVALT-GZMMTYOYSA-N -2 3 279.292 1.423 20 0 CDADHL CC(C)OC(=O)c1cc(NC(=O)[C@@H](C(=O)[O-])C(C)C)[n-]n1 ZINC001573549162 959223055 /nfs/dbraw/zinc/22/30/55/959223055.db2.gz CYAJBHBRBHMAJN-JTQLQIEISA-N -2 3 297.311 1.270 20 0 CDADHL CC(C)OC(=O)c1cc(NC(=O)[C@@H](C(=O)[O-])C(C)C)n[n-]1 ZINC001573549162 959223078 /nfs/dbraw/zinc/22/30/78/959223078.db2.gz CYAJBHBRBHMAJN-JTQLQIEISA-N -2 3 297.311 1.270 20 0 CDADHL Cc1ccc(C(=O)Nc2c[nH]nc2C(=O)[O-])c([O-])c1C ZINC001574356865 961004737 /nfs/dbraw/zinc/00/47/37/961004737.db2.gz HCRLLDPNOQOGHE-UHFFFAOYSA-N -2 3 275.264 1.683 20 0 CDADHL Cc1cccc([C@@H](NC(=O)c2cc(=O)[n-]cn2)C(=O)[O-])c1 ZINC001574392144 961188616 /nfs/dbraw/zinc/18/86/16/961188616.db2.gz PYPXCXYFZJJYQW-GFCCVEGCSA-N -2 3 287.275 1.046 20 0 CDADHL CC(C)[C@@H](C(=O)[O-])C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001588808031 961490833 /nfs/dbraw/zinc/49/08/33/961490833.db2.gz NLHWXTKOGMVOQS-LLVKDONJSA-N -2 3 293.323 1.033 20 0 CDADHL CCOc1cc(C(=O)[N-]c2ncccc2C(=O)[O-])on1 ZINC001573918998 961517008 /nfs/dbraw/zinc/51/70/08/961517008.db2.gz VYEVGGHXQDHLCI-UHFFFAOYSA-N -2 3 277.236 1.419 20 0 CDADHL CCc1ccc(C(=O)Nc2cnn(CC(=O)[O-])c2)c([O-])c1 ZINC001573953655 961656591 /nfs/dbraw/zinc/65/65/91/961656591.db2.gz BQLZVXGJNNYZBM-UHFFFAOYSA-N -2 3 289.291 1.488 20 0 CDADHL O=C([O-])[C@@H](NC(=O)c1cccc(O)c1[O-])c1ccccc1 ZINC000125989255 967621129 /nfs/dbraw/zinc/62/11/29/967621129.db2.gz VIWJQQFUQSHJBP-LBPRGKRZSA-N -2 3 287.271 1.654 20 0 CDADHL COC(=O)c1ccc(C(=O)Nc2ccc(C(=O)[O-])cn2)[n-]1 ZINC001604385384 973107037 /nfs/dbraw/zinc/10/70/37/973107037.db2.gz LKJANYFLQOOVAA-UHFFFAOYSA-N -2 3 289.247 1.147 20 0 CDADHL CC(C)n1cnc([N-]C(=O)c2csc(C(=O)[O-])n2)n1 ZINC001592145531 977003394 /nfs/dbraw/zinc/00/33/94/977003394.db2.gz LYTFSWWLAWDWEM-UHFFFAOYSA-N -2 3 281.297 1.266 20 0 CDADHL CCOC[C@H](C(=O)[O-])N(C)C(=O)c1ccc(C)cc1[O-] ZINC001596875646 985721842 /nfs/dbraw/zinc/72/18/42/985721842.db2.gz IYYIVXCHGROCMG-LLVKDONJSA-N -2 3 281.308 1.262 20 0 CDADHL CCc1oc(C(=O)[O-])cc1COC(=O)c1cnn[n-]1 ZINC001597772336 989237440 /nfs/dbraw/zinc/23/74/40/989237440.db2.gz HFCHLPVFVHRWIF-UHFFFAOYSA-N -2 3 265.225 1.015 20 0 CDADHL CCc1oc(C(=O)[O-])cc1COC(=O)c1c[n-]nn1 ZINC001597772336 989237445 /nfs/dbraw/zinc/23/74/45/989237445.db2.gz HFCHLPVFVHRWIF-UHFFFAOYSA-N -2 3 265.225 1.015 20 0 CDADHL CC(C)C(C)(C)C[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001590963884 991067710 /nfs/dbraw/zinc/06/77/10/991067710.db2.gz OVZPKASNBGLOCG-UHFFFAOYSA-N -2 3 289.353 1.938 20 0 CDADHL COc1ccc([O-])c(C(=O)Nc2cc(C(=O)[O-])n(C)n2)c1 ZINC001599598515 993781878 /nfs/dbraw/zinc/78/18/78/993781878.db2.gz RXGRKCLFGKJCEH-UHFFFAOYSA-N -2 3 291.263 1.085 20 0 CDADHL C[C@H]([N-]S(=O)(=O)CCCCCC(=O)[O-])C(F)F ZINC001593319374 994845298 /nfs/dbraw/zinc/84/52/98/994845298.db2.gz NOWWHQAWSRJXFM-ZETCQYMHSA-N -2 3 273.301 1.204 20 0 CDADHL Cc1ccc(C(=O)NC2(CC(=O)[O-])CCOCC2)c([O-])c1 ZINC000262688652 362873473 /nfs/dbraw/zinc/87/34/73/362873473.db2.gz BOTFWHUIFYYTLU-UHFFFAOYSA-N -2 3 293.319 1.454 20 0 CDADHL CSc1nc([N-]S(=O)(=O)CCC2CC2)n[n-]1 ZINC000273998317 192396225 /nfs/dbraw/zinc/39/62/25/192396225.db2.gz ZHUJUCWYQKKBHB-UHFFFAOYSA-N -2 3 262.360 1.068 20 0 CDADHL CCOCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000019232594 356478011 /nfs/dbraw/zinc/47/80/11/356478011.db2.gz KKMDNCJOAPIPSQ-UHFFFAOYSA-N -2 3 293.366 1.151 20 0 CDADHL O=C([O-])Cc1cccc([N-]S(=O)(=O)C[C@@H]2CCCO2)c1 ZINC000087844880 357325790 /nfs/dbraw/zinc/32/57/90/357325790.db2.gz ZEEJIFXSKFIQDG-LBPRGKRZSA-N -2 3 299.348 1.234 20 0 CDADHL CO[C@H](C)CS(=O)(=O)[N-]c1cc(Cl)ccc1[O-] ZINC000193119315 358267238 /nfs/dbraw/zinc/26/72/38/358267238.db2.gz GZXMBRXQYGULDN-SSDOTTSWSA-N -2 3 279.745 1.822 20 0 CDADHL Cc1csc(S(=O)(=O)[N-][C@H](C)[C@@H](C)C(=O)[O-])c1 ZINC000568361523 294020243 /nfs/dbraw/zinc/02/02/43/294020243.db2.gz ZOSOFAWUGJDJCA-HTQZYQBOSA-N -2 3 277.367 1.444 20 0 CDADHL O=C([O-])C[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000054293437 361367174 /nfs/dbraw/zinc/36/71/74/361367174.db2.gz MIWLFBFXLZSSAG-SNVBAGLBSA-N -2 3 263.293 1.719 20 0 CDADHL O=C([O-])[C@@H](CC1CC1)[N-]S(=O)(=O)c1cccs1 ZINC000287676890 369276638 /nfs/dbraw/zinc/27/66/38/369276638.db2.gz WJNICWPDVZJMHD-MRVPVSSYSA-N -2 3 275.351 1.280 20 0 CDADHL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)[C@@H]2CCOC2)c1 ZINC000547873915 369675973 /nfs/dbraw/zinc/67/59/73/369675973.db2.gz FJSORIWDJKISJW-SNVBAGLBSA-N -2 3 299.348 1.532 20 0 CDADHL CC[C@](C)([N-]S(=O)(=O)c1ccc(C)o1)C(=O)[O-] ZINC000566172196 370634108 /nfs/dbraw/zinc/63/41/08/370634108.db2.gz BJJBOLJYGPDIQB-JTQLQIEISA-N -2 3 261.299 1.120 20 0 CDADHL Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)[N-]OC(C)C ZINC000295550659 371336919 /nfs/dbraw/zinc/33/69/19/371336919.db2.gz LVXWCBGLBJZJQO-UHFFFAOYSA-N -2 3 292.339 1.441 20 0 CDADHL COc1cccc(C(=O)N(C)C[C@H](C)C(=O)[O-])c1[O-] ZINC000042694913 372966643 /nfs/dbraw/zinc/96/66/43/372966643.db2.gz ZPSTYKVOBWSKTM-QMMMGPOBSA-N -2 3 267.281 1.194 20 0 CDADHL CN=c1[n-]nc(SCc2cc(=O)[n-]c(C3CC3)n2)s1 ZINC000572004734 377653174 /nfs/dbraw/zinc/65/31/74/377653174.db2.gz COIYVCQTKZHYCG-UHFFFAOYSA-N -2 3 295.393 1.667 20 0 CDADHL CC(C)(C)C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000645948809 393424981 /nfs/dbraw/zinc/42/49/81/393424981.db2.gz RDOPLQOTUBETEX-UHFFFAOYSA-N -2 3 278.355 1.166 20 0 CDADHL CCc1ccc([O-])c(C(=O)N(C)CCC(=O)[O-])c1 ZINC000263573498 140498186 /nfs/dbraw/zinc/49/81/86/140498186.db2.gz MLHOWUBJBJCBOF-UHFFFAOYSA-N -2 3 251.282 1.501 20 0 CDADHL CC(=O)c1ccc(C(=O)NC[C@@H](C(=O)[O-])C(C)C)cc1[O-] ZINC000656231273 413127813 /nfs/dbraw/zinc/12/78/13/413127813.db2.gz DVXNWBVEQKRIMJ-GFCCVEGCSA-N -2 3 293.319 1.681 20 0 CDADHL Cc1cc(=O)[nH]c2cc(C(=O)N=c3ccc([O-])n[n-]3)ccc12 ZINC000343730609 152282400 /nfs/dbraw/zinc/28/24/00/152282400.db2.gz PGDLHMWTYBTAGF-UHFFFAOYSA-N -2 3 296.286 1.419 20 0 CDADHL Cc1ccc(-c2cc(C(=O)N=c3nc(C)[n-]s3)[n-]n2)o1 ZINC000362134285 159080645 /nfs/dbraw/zinc/08/06/45/159080645.db2.gz NMSBQOOUYBBGKT-UHFFFAOYSA-N -2 3 289.320 1.812 20 0 CDADHL Cc1ccc(-c2cc(C(=O)N=c3nc(C)[n-]s3)n[n-]2)o1 ZINC000362134285 159080646 /nfs/dbraw/zinc/08/06/46/159080646.db2.gz NMSBQOOUYBBGKT-UHFFFAOYSA-N -2 3 289.320 1.812 20 0 CDADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)C1CC1 ZINC000035140620 172008478 /nfs/dbraw/zinc/00/84/78/172008478.db2.gz DJUWPOSQYFKTTE-ZCFIWIBFSA-N -2 3 275.351 1.523 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]CCC(C)(C)F)cc1C(=O)[O-] ZINC000656721296 413605599 /nfs/dbraw/zinc/60/55/99/413605599.db2.gz KOZOUPKZQKLULX-UHFFFAOYSA-N -2 3 293.316 1.703 20 0 CDADHL CO[C@](C)(C(=O)[O-])C(=O)Nc1cc(Cl)ccc1[O-] ZINC000663038134 413846855 /nfs/dbraw/zinc/84/68/55/413846855.db2.gz MHRUGWAIBHJORO-NSHDSACASA-N -2 3 273.672 1.474 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]C[C@H](C(=O)[O-])C2CCC2)o1 ZINC000663254957 414087576 /nfs/dbraw/zinc/08/75/76/414087576.db2.gz NRLRROAURSTFKK-JTQLQIEISA-N -2 3 287.337 1.367 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@@]2(C)CC2(C)C)oc1C(=O)[O-] ZINC000663448440 414259845 /nfs/dbraw/zinc/25/98/45/414259845.db2.gz SKKHKIYHWDDTCO-LBPRGKRZSA-N -2 3 287.337 1.753 20 0 CDADHL CCC[C@@H](C[N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000564781105 293412711 /nfs/dbraw/zinc/41/27/11/293412711.db2.gz QPLFCWBTAPPRSP-QMMMGPOBSA-N -2 3 261.299 1.059 20 0 CDADHL C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2ccc3n[n-]nc3c2)C1 ZINC000263364209 297215755 /nfs/dbraw/zinc/21/57/55/297215755.db2.gz SRXUYIKMKBNJHW-PSASIEDQSA-N -2 3 288.307 1.141 20 0 CDADHL COc1ccc(C(=O)NCCC(C)(C)C(=O)[O-])c([O-])c1 ZINC000312325143 316012953 /nfs/dbraw/zinc/01/29/53/316012953.db2.gz CRAZTKXAFJWZNI-UHFFFAOYSA-N -2 3 281.308 1.632 20 0 CDADHL C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000576224283 317098839 /nfs/dbraw/zinc/09/88/39/317098839.db2.gz IMDAUOITXJQQEA-WPRPVWTQSA-N -2 3 287.337 1.835 20 0 CDADHL COCCN=c1[n-]nc(SCc2ncccc2[O-])s1 ZINC000583360038 325158914 /nfs/dbraw/zinc/15/89/14/325158914.db2.gz DXEVEPAMABWYFX-UHFFFAOYSA-N -2 3 298.393 1.411 20 0 CDADHL COc1cccc([C@H](C)OCCP(=O)([O-])[O-])c1 ZINC001224606803 1160782159 /nfs/dbraw/zinc/78/21/59/1160782159.db2.gz SEWQQAKFISBZIN-VIFPVBQESA-N -2 3 260.226 1.951 20 0 CDADHL Cc1ccc(C(=O)Nc2ccn(CC(=O)[O-])n2)c([O-])c1C ZINC001600344351 1174449946 /nfs/dbraw/zinc/44/99/46/1174449946.db2.gz WAPVMEPYGQAESX-UHFFFAOYSA-N -2 3 289.291 1.542 20 0 CDADHL O=c1ccnc(C=Cc2cccc(-c3nnn[n-]3)c2)[n-]1 ZINC000738381178 576064931 /nfs/dbraw/zinc/06/49/31/576064931.db2.gz XKRFVJYAXJGNGT-PLNGDYQASA-N -2 3 266.264 1.533 20 0 CDADHL Nc1ccc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])c([O-])c1 ZINC000763022979 576701226 /nfs/dbraw/zinc/70/12/26/576701226.db2.gz YDVVWELZHLCTOY-NSHDSACASA-N -2 3 292.335 1.834 20 0 CDADHL CCc1cc(=O)[n-]c(-c2ccc(NCCC(=O)[O-])nc2)n1 ZINC000263536802 597140385 /nfs/dbraw/zinc/14/03/85/597140385.db2.gz ZSILJDJLFCVRQX-UHFFFAOYSA-N -2 3 288.307 1.693 20 0 CDADHL Cc1cc(=O)[n-]c(CN[C@@H](C(=O)[O-])c2ccccc2)n1 ZINC000700427236 602311572 /nfs/dbraw/zinc/31/15/72/602311572.db2.gz AHOYRSFHDMQCMQ-CYBMUJFWSA-N -2 3 273.292 1.406 20 0 CDADHL COC[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909662278 620631999 /nfs/dbraw/zinc/63/19/99/620631999.db2.gz PEGFGJWILNLEIS-NSHDSACASA-N -2 3 299.298 1.070 20 0 CDADHL Cc1ccc(C(=O)N[C@@H]2C[C@@H]3C[C@H](C(=O)[O-])C[C@H]23)c([O-])c1 ZINC000907936153 627910775 /nfs/dbraw/zinc/91/07/75/627910775.db2.gz NORFNECWVZEOCD-XRRVDJEJSA-N -2 3 289.331 1.930 20 0 CDADHL CCCN(C(=O)c1ccc(C(C)=O)c([O-])c1)[C@@H](C)C(=O)[O-] ZINC000911713676 629429580 /nfs/dbraw/zinc/42/95/80/629429580.db2.gz LNHBZITVYNUKFF-VIFPVBQESA-N -2 3 293.319 1.920 20 0 CDADHL CCCO[N-]C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000911809153 629541187 /nfs/dbraw/zinc/54/11/87/629541187.db2.gz JUNXYJNFXITAJV-UHFFFAOYSA-N -2 3 251.282 1.775 20 0 CDADHL CCC(F)(F)C(=O)[N-][C@@H](C(=O)[O-])c1ccccn1 ZINC001605065321 1163438107 /nfs/dbraw/zinc/43/81/07/1163438107.db2.gz UEDUUCRORBCPGV-MRVPVSSYSA-N -2 3 258.224 1.369 20 0 CDADHL COc1c(F)nccc1C(=O)[N-]c1nc(C(=O)[O-])ns1 ZINC001607009886 1164058689 /nfs/dbraw/zinc/05/86/89/1164058689.db2.gz LMPQXGKMVRCCLF-UHFFFAOYSA-N -2 3 298.255 1.031 20 0 CDADHL O=c1[n-]c(SCc2ccc(F)c(-c3nnn[n-]3)c2)n[nH]1 ZINC001609611468 1165006846 /nfs/dbraw/zinc/00/68/46/1165006846.db2.gz CRRHDOJDLYJSPU-UHFFFAOYSA-N -2 3 293.287 1.122 20 0 CDADHL O=c1[n-]c(SCc2ccc(F)c(-c3nn[n-]n3)c2)n[nH]1 ZINC001609611468 1165006854 /nfs/dbraw/zinc/00/68/54/1165006854.db2.gz CRRHDOJDLYJSPU-UHFFFAOYSA-N -2 3 293.287 1.122 20 0 CDADHL Cc1coc(CC(=O)[O-])c1C(=O)Nc1ncccc1[O-] ZINC001610543339 1165349362 /nfs/dbraw/zinc/34/93/62/1165349362.db2.gz GXIOXVUSOQAGQX-UHFFFAOYSA-N -2 3 276.248 1.568 20 0 CDADHL CC(C)[C@H](CNc1cnccc1-c1nnn[n-]1)C(=O)[O-] ZINC001589460680 1173146332 /nfs/dbraw/zinc/14/63/32/1173146332.db2.gz RCJXIXTZBPXKAK-VIFPVBQESA-N -2 3 276.300 1.030 20 0 CDADHL CC(C)[C@H](CNc1cnccc1-c1nn[n-]n1)C(=O)[O-] ZINC001589460680 1173146340 /nfs/dbraw/zinc/14/63/40/1173146340.db2.gz RCJXIXTZBPXKAK-VIFPVBQESA-N -2 3 276.300 1.030 20 0 CDADHL CCCN(CC(=O)[O-])c1ccc(F)cc1-c1nnn[n-]1 ZINC001590621393 1173479635 /nfs/dbraw/zinc/47/96/35/1173479635.db2.gz HIVMGHWWECFCDI-UHFFFAOYSA-N -2 3 279.275 1.307 20 0 CDADHL CCCN(CC(=O)[O-])c1ccc(F)cc1-c1nn[n-]n1 ZINC001590621393 1173479637 /nfs/dbraw/zinc/47/96/37/1173479637.db2.gz HIVMGHWWECFCDI-UHFFFAOYSA-N -2 3 279.275 1.307 20 0 CDADHL O=C([O-])c1ccc(/C=C\C(=O)[N-]OCC(F)F)o1 ZINC001601236878 1174805367 /nfs/dbraw/zinc/80/53/67/1174805367.db2.gz YNWLEKQGKRGWAF-RQOWECAXSA-N -2 3 261.180 1.304 20 0 CDADHL O=C([O-])[C@@H](CCF)NC(=O)c1cc([O-])ccc1Cl ZINC001601415303 1174862529 /nfs/dbraw/zinc/86/25/29/1174862529.db2.gz XOTDBGQVHODSBF-SECBINFHSA-N -2 3 275.663 1.588 20 0 CDADHL O=C([O-])c1cccc2[nH]c(NC(=O)c3cc(=O)[n-]cn3)nc21 ZINC001601633308 1174919146 /nfs/dbraw/zinc/91/91/46/1174919146.db2.gz RZDSLGKWMZCMDH-UHFFFAOYSA-N -2 3 299.246 1.009 20 0 CDADHL O=C([O-])C[C@@H](NC(=O)c1ccc(O)cc1[O-])C1CCCC1 ZINC001601904215 1175059173 /nfs/dbraw/zinc/05/91/73/1175059173.db2.gz BJKMPCADZBVCQC-GFCCVEGCSA-N -2 3 293.319 1.861 20 0 CDADHL O=C([O-])c1ccc(CN=c2ncnc3[nH][n-]cc2-3)c(F)c1 ZINC001602352020 1175221320 /nfs/dbraw/zinc/22/13/20/1175221320.db2.gz JSXMBVVFQDTZRF-UHFFFAOYSA-N -2 3 287.254 1.176 20 0 CDADHL CC(C)C[C@@H](Nc1ccc(-c2nnn[n-]2)nc1)C(=O)[O-] ZINC001603304377 1175535796 /nfs/dbraw/zinc/53/57/96/1175535796.db2.gz UGJHBXSQLNROQH-SNVBAGLBSA-N -2 3 276.300 1.173 20 0 CDADHL CC(C)C[C@@H](Nc1ccc(-c2nn[n-]n2)nc1)C(=O)[O-] ZINC001603304377 1175535803 /nfs/dbraw/zinc/53/58/03/1175535803.db2.gz UGJHBXSQLNROQH-SNVBAGLBSA-N -2 3 276.300 1.173 20 0 CDADHL CC(C)(CC(=O)[O-])CC(=O)N1CCCc2c(=O)[n-]cnc21 ZINC001603582510 1175569927 /nfs/dbraw/zinc/56/99/27/1175569927.db2.gz RQCQYYXZWMQTSA-UHFFFAOYSA-N -2 3 293.323 1.352 20 0 CDADHL C[C@@H]1CCc2c(=O)n(Cc3ccc(-c4nn[n-]n4)cc3)[n-]c21 ZINC001603880593 1175667334 /nfs/dbraw/zinc/66/73/34/1175667334.db2.gz GKGBYCAYWPNQOC-BXKDBHETSA-N -2 3 296.334 1.611 20 0 CDADHL COc1cccc(C(=O)[O-])c1CSCCc1nnn[n-]1 ZINC001607306951 1164144211 /nfs/dbraw/zinc/14/42/11/1164144211.db2.gz SONWVLZQYUNHHY-UHFFFAOYSA-N -2 3 294.336 1.382 20 0 CDADHL COc1cccc(C(=O)[O-])c1CSCCc1nn[n-]n1 ZINC001607306951 1164144216 /nfs/dbraw/zinc/14/42/16/1164144216.db2.gz SONWVLZQYUNHHY-UHFFFAOYSA-N -2 3 294.336 1.382 20 0 CDADHL O=C([O-])c1ccc(CC(=O)[N-]OCC2CCC2)cc1 ZINC001608360053 1164497411 /nfs/dbraw/zinc/49/74/11/1164497411.db2.gz VSZRJBLCRCBPDD-UHFFFAOYSA-N -2 3 263.293 1.775 20 0 CDADHL O=C([O-])CC(=O)Nc1cc(Br)ccc1[O-] ZINC001608665057 1164596941 /nfs/dbraw/zinc/59/69/41/1164596941.db2.gz SHKFMNLPNBCJLO-UHFFFAOYSA-N -2 3 274.070 1.568 20 0 CDADHL CSc1nc(NC(=O)CC(C)(C)CC(=O)[O-])n[n-]1 ZINC001610388501 1165302549 /nfs/dbraw/zinc/30/25/49/1165302549.db2.gz MGBKOBNIALDEIR-UHFFFAOYSA-N -2 3 272.330 1.356 20 0 CDADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCCF)c(F)cc1F ZINC000844895725 797079362 /nfs/dbraw/zinc/07/93/62/797079362.db2.gz TZRAJNOSAAJYRR-UHFFFAOYSA-N -2 3 297.254 1.301 20 0 CDADHL CCC(C)(C)C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001594801509 981897539 /nfs/dbraw/zinc/89/75/39/981897539.db2.gz NLSDPWYJDANHTH-UHFFFAOYSA-N -2 3 292.382 1.556 20 0 CDADHL O=C([O-])c1cncc(Nc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001175838871 913800283 /nfs/dbraw/zinc/80/02/83/913800283.db2.gz QZIYBTXKECLQIK-UHFFFAOYSA-N -2 3 272.264 1.896 20 0 CDADHL CCOCCO[N-]C(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000775245611 921469792 /nfs/dbraw/zinc/46/97/92/921469792.db2.gz VBGRWLPSHWIRHO-UHFFFAOYSA-N -2 3 283.328 1.312 20 0 CDADHL CCOCCS(=O)(=O)[N-]c1cc(F)ccc1[O-] ZINC000085203630 924277166 /nfs/dbraw/zinc/27/71/66/924277166.db2.gz ZEGKCBSOQOKMFL-UHFFFAOYSA-N -2 3 263.290 1.310 20 0 CDADHL C[C@H](NC(=O)NCCP(=O)([O-])[O-])c1ccccc1 ZINC001202508775 929539804 /nfs/dbraw/zinc/53/98/04/929539804.db2.gz LEMRHJOTSRFFOP-VIFPVBQESA-N -2 3 272.241 1.225 20 0 CDADHL CC(=O)c1cc(C(=O)NC2C(=O)N=CN=C2[O-])ccc1[O-] ZINC001148657794 932774131 /nfs/dbraw/zinc/77/41/31/932774131.db2.gz VYKGTSXRSVZIJG-UHFFFAOYSA-N -2 3 289.247 1.048 20 0 CDADHL O=C([O-])c1cc(F)c(Nc2cnc[n-]c2=O)c(F)c1 ZINC001215612415 940897444 /nfs/dbraw/zinc/89/74/44/940897444.db2.gz BQATXWFKJHYOLF-UHFFFAOYSA-N -2 3 267.191 1.902 20 0 CDADHL CCOC(=O)[C@H]1CCC[C@@H]1OCCCCP(=O)([O-])[O-] ZINC001225022370 941816371 /nfs/dbraw/zinc/81/63/71/941816371.db2.gz NYHJVTZAKKVTJS-QWRGUYRKSA-N -2 3 294.284 1.693 20 0 CDADHL CCCCC[C@@H](C)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233934297 943693614 /nfs/dbraw/zinc/69/36/14/943693614.db2.gz IYZWFBHDESSVDW-MRVPVSSYSA-N -2 3 250.302 1.994 20 0 CDADHL C[C@@H](Cc1ccco1)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233939607 943694497 /nfs/dbraw/zinc/69/44/97/943694497.db2.gz LKYGKZWYRDRDON-ZETCQYMHSA-N -2 3 260.253 1.249 20 0 CDADHL O=C([O-])c1ccc(-c2cncc(-c3nnn[n-]3)c2)cc1F ZINC001241186343 946187818 /nfs/dbraw/zinc/18/78/18/946187818.db2.gz IPWBFPDPUURPPZ-UHFFFAOYSA-N -2 3 285.238 1.766 20 0 CDADHL O=C([O-])c1ccc(-c2cncc(-c3nn[n-]n3)c2)cc1F ZINC001241186343 946187826 /nfs/dbraw/zinc/18/78/26/946187826.db2.gz IPWBFPDPUURPPZ-UHFFFAOYSA-N -2 3 285.238 1.766 20 0 CDADHL Cc1ccccc1S(=O)(=O)[N-]c1cncc([O-])c1 ZINC001254513056 947478971 /nfs/dbraw/zinc/47/89/71/947478971.db2.gz AENZDNUGFUVRBB-UHFFFAOYSA-N -2 3 264.306 1.896 20 0 CDADHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1cc(F)ccc1F ZINC001363036613 971832847 /nfs/dbraw/zinc/83/28/47/971832847.db2.gz IGBLKSWCWPMJKG-UHFFFAOYSA-N -2 3 281.218 1.096 20 0 CDADHL CCc1cccc(C(=O)N(CCOC)CCC(=O)[O-])c1[O-] ZINC001593640383 953641872 /nfs/dbraw/zinc/64/18/72/953641872.db2.gz ZDVBSEGMAZCXME-UHFFFAOYSA-N -2 3 295.335 1.518 20 0 CDADHL C[C@@H]1CCCN(C(=O)Cc2ccc([O-])c(F)c2)[C@@H]1C(=O)[O-] ZINC001589325158 953896001 /nfs/dbraw/zinc/89/60/01/953896001.db2.gz JNLNPWDPFROUAS-OTYXRUKQSA-N -2 3 295.310 1.786 20 0 CDADHL O=C([O-])CCCCCCNC(=O)c1ccc(O)cc1[O-] ZINC000019509034 957116137 /nfs/dbraw/zinc/11/61/37/957116137.db2.gz CRLVMRKWKWGTQU-UHFFFAOYSA-N -2 3 281.308 1.863 20 0 CDADHL CCC[C@](C)(NC(=O)c1ccccc1[O-])C(=O)[O-] ZINC000036337394 957229977 /nfs/dbraw/zinc/22/99/77/957229977.db2.gz CMPNOUGFFCDANX-ZDUSSCGKSA-N -2 3 251.282 1.765 20 0 CDADHL Cc1nc(N2CCc3ccc(C(=O)[O-])cc3C2)cc(=O)[n-]1 ZINC000163308120 959232492 /nfs/dbraw/zinc/23/24/92/959232492.db2.gz AYBDCXSVIOZWIZ-UHFFFAOYSA-N -2 3 285.303 1.752 20 0 CDADHL C[C@H](NC(=O)c1cc(=O)[n-]cn1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001573623950 959528367 /nfs/dbraw/zinc/52/83/67/959528367.db2.gz XWZMYHXSGGHLRU-XHNCKOQMSA-N -2 3 293.323 1.047 20 0 CDADHL O=C([O-])[C@H]1CCC[C@@H]1[N-]C(=O)C(F)(F)C(F)F ZINC000236452006 960623958 /nfs/dbraw/zinc/62/39/58/960623958.db2.gz VRVJJKDEPWZZJH-WHFBIAKZSA-N -2 3 257.183 1.256 20 0 CDADHL CC(C)[C@]1(C)C[C@@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000397196765 972977624 /nfs/dbraw/zinc/97/76/24/972977624.db2.gz SFNWEGHKKZAXTH-CABZTGNLSA-N -2 3 287.337 1.691 20 0 CDADHL CC[C@@H](C)C[C@H](NC(=O)c1ccc(O)cc1[O-])C(=O)[O-] ZINC000400481209 973286670 /nfs/dbraw/zinc/28/66/70/973286670.db2.gz WOCQHALTPOIRHO-KCJUWKMLSA-N -2 3 281.308 1.717 20 0 CDADHL CC[C@H](OC(=O)c1ccc(N)c(Cl)c1[O-])C(=O)[O-] ZINC001595347664 980641678 /nfs/dbraw/zinc/64/16/78/980641678.db2.gz DJKYOKVHKHKTLG-ZETCQYMHSA-N -2 3 273.672 1.648 20 0 CDADHL CC/C=C\C[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001595520045 981334769 /nfs/dbraw/zinc/33/47/69/981334769.db2.gz AATTUSKXDUNVOF-ARJAWSKDSA-N -2 3 259.283 1.222 20 0 CDADHL CCC[C@H](CC)[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001573729608 983090996 /nfs/dbraw/zinc/09/09/96/983090996.db2.gz VYFNLICCYSOWIH-QMMMGPOBSA-N -2 3 289.357 1.273 20 0 CDADHL CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)/C=C/C(=O)[O-])c1 ZINC001589199486 985633238 /nfs/dbraw/zinc/63/32/38/985633238.db2.gz OJNLXAQDIVDNRM-GWSCVKMXSA-N -2 3 292.291 1.110 20 0 CDADHL CC(=O)c1ccc(C(=O)N[C@H](C(=O)[O-])C2CC2)cc1[O-] ZINC001589276233 985988310 /nfs/dbraw/zinc/98/83/10/985988310.db2.gz SKGVWJPWUUAZRF-LBPRGKRZSA-N -2 3 277.276 1.188 20 0 CDADHL CN(CCC(=O)[O-])c1c(F)cc(-c2nnn[n-]2)cc1F ZINC001604738129 1163303668 /nfs/dbraw/zinc/30/36/68/1163303668.db2.gz OUKCWXDNTMXNMY-UHFFFAOYSA-N -2 3 283.238 1.056 20 0 CDADHL CN(CCC(=O)[O-])c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001604738129 1163303673 /nfs/dbraw/zinc/30/36/73/1163303673.db2.gz OUKCWXDNTMXNMY-UHFFFAOYSA-N -2 3 283.238 1.056 20 0 CDADHL CCc1ccc(C(=O)N2CC[C@@](OC)(C(=O)[O-])C2)c([O-])c1 ZINC001597498917 988049181 /nfs/dbraw/zinc/04/91/81/988049181.db2.gz SFIQZDYFNCCQJO-HNNXBMFYSA-N -2 3 293.319 1.270 20 0 CDADHL COc1cccc2c(C(=O)OC/C=C(\C)C(=O)[O-])n[n-]c21 ZINC001599689459 991043936 /nfs/dbraw/zinc/04/39/36/991043936.db2.gz NBWWLSFQVXVSRF-SOFGYWHQSA-N -2 3 290.275 1.759 20 0 CDADHL COc1cccc(C(=O)Nc2cc(C(=O)[O-])n(C)n2)c1[O-] ZINC001599642708 994380782 /nfs/dbraw/zinc/38/07/82/994380782.db2.gz MKFZZCADLFZBPH-UHFFFAOYSA-N -2 3 291.263 1.085 20 0 CDADHL COc1cccc([C@H](SCCc2nnn[n-]2)C(=O)[O-])c1 ZINC001599661893 994669358 /nfs/dbraw/zinc/66/93/58/994669358.db2.gz TURWUZOQGYINKW-NSHDSACASA-N -2 3 294.336 1.310 20 0 CDADHL COc1cccc([C@H](SCCc2nn[n-]n2)C(=O)[O-])c1 ZINC001599661893 994669362 /nfs/dbraw/zinc/66/93/62/994669362.db2.gz TURWUZOQGYINKW-NSHDSACASA-N -2 3 294.336 1.310 20 0 CDADHL O=C([O-])c1nnc([N-]C(=O)c2ccc(F)s2)s1 ZINC001574347184 1170953636 /nfs/dbraw/zinc/95/36/36/1170953636.db2.gz XZPUECZJIHCBSF-UHFFFAOYSA-N -2 3 273.270 1.689 20 0 CDADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@H]1C=C[C@H](C(=O)[O-])C1 ZINC000275085113 365916589 /nfs/dbraw/zinc/91/65/89/365916589.db2.gz ZLQSKFQPONCHDJ-UWVGGRQHSA-N -2 3 299.323 1.442 20 0 CDADHL CCCc1n[n-]c(=S)n1CC(=O)Nc1ncccc1[O-] ZINC000022264752 348538487 /nfs/dbraw/zinc/53/84/87/348538487.db2.gz RHUOYICTPCXSTR-UHFFFAOYSA-N -2 3 293.352 1.632 20 0 CDADHL CCC(CC)(CNC(=O)c1ccc2n[n-]nc2c1)C(=O)[O-] ZINC000154345780 188137387 /nfs/dbraw/zinc/13/73/87/188137387.db2.gz PZYOSOPBNGMQGN-UHFFFAOYSA-N -2 3 290.323 1.579 20 0 CDADHL CCc1ccc([O-])c(C(=O)N[C@@H](C)CC(=O)[O-])c1 ZINC000455759081 363461254 /nfs/dbraw/zinc/46/12/54/363461254.db2.gz TVQGNEBFUUBWMF-QMMMGPOBSA-N -2 3 251.282 1.548 20 0 CDADHL CC(C)(CCC(=O)[O-])NC(=O)c1ccccc1[O-] ZINC000050194849 357232134 /nfs/dbraw/zinc/23/21/34/357232134.db2.gz FPDJBNOZRGSABQ-UHFFFAOYSA-N -2 3 251.282 1.765 20 0 CDADHL Cc1ccc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)c([O-])c1 ZINC000062912962 357491974 /nfs/dbraw/zinc/49/19/74/357491974.db2.gz SOYMEFDLISYHKC-AWEZNQCLSA-N -2 3 263.293 1.637 20 0 CDADHL O=S(=O)(C[C@@H]1CCCO1)[N-]c1cc(F)ccc1[O-] ZINC000085203631 358255654 /nfs/dbraw/zinc/25/56/54/358255654.db2.gz AXXIYMHTNBUQTR-VIFPVBQESA-N -2 3 275.301 1.452 20 0 CDADHL Cc1ccc([O-])c(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)n1 ZINC000345925521 358956493 /nfs/dbraw/zinc/95/64/93/358956493.db2.gz KAUYNABLWGYVCO-UHFFFAOYSA-N -2 3 297.270 1.232 20 0 CDADHL Cc1ccc(NC(=O)[C@@H](C)O[C@H](C)C(=O)[O-])c([O-])c1 ZINC000421804171 359433797 /nfs/dbraw/zinc/43/37/97/359433797.db2.gz JHNMGULMMYHRFY-RKDXNWHRSA-N -2 3 267.281 1.517 20 0 CDADHL CC[C@@H](CC[N-]S(=O)(=O)c1c(C)noc1C)C(=O)[O-] ZINC000297218170 200117051 /nfs/dbraw/zinc/11/70/51/200117051.db2.gz NVMRSJFMYVJGBR-VIFPVBQESA-N -2 3 290.341 1.071 20 0 CDADHL Cc1ncc(S(=O)(=O)[N-][C@H](C)CCCC(=O)[O-])s1 ZINC000230102701 360241895 /nfs/dbraw/zinc/24/18/95/360241895.db2.gz PLKMJCDCSFOSHY-SSDOTTSWSA-N -2 3 292.382 1.373 20 0 CDADHL COC(=O)c1ccc([O-])c(NC(=O)c2cncc([O-])c2)c1 ZINC000436515983 361525778 /nfs/dbraw/zinc/52/57/78/361525778.db2.gz STNPHPIKSVAMIG-UHFFFAOYSA-N -2 3 288.259 1.532 20 0 CDADHL C[C@]1([N-]S(=O)(=O)c2ccco2)CCCC[C@@H]1C(=O)[O-] ZINC000565361196 370427885 /nfs/dbraw/zinc/42/78/85/370427885.db2.gz IEZXNXYQBWXRMA-SKDRFNHKSA-N -2 3 287.337 1.591 20 0 CDADHL Cc1cccc(C(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1[O-] ZINC000263362820 370540924 /nfs/dbraw/zinc/54/09/24/370540924.db2.gz SJCXTYPMKWYGGP-MWLCHTKSSA-N -2 3 277.320 1.883 20 0 CDADHL O=C(N=c1ccc([O-])n[n-]1)[C@H]1CCC(=O)c2ccccc21 ZINC000341688115 373901707 /nfs/dbraw/zinc/90/17/07/373901707.db2.gz VNSXWVYHIOAKIF-NSHDSACASA-N -2 3 283.287 1.303 20 0 CDADHL COc1ccc(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])c([O-])c1 ZINC000070522729 374665850 /nfs/dbraw/zinc/66/58/50/374665850.db2.gz JLQYTQZAAOVOQS-KOLCDFICSA-N -2 3 279.292 1.384 20 0 CDADHL Cc1ccc(C(=O)NCCC(C)(C)C(=O)[O-])c([O-])c1 ZINC000262839955 131266542 /nfs/dbraw/zinc/26/65/42/131266542.db2.gz UGVMWBXWIXJHCB-UHFFFAOYSA-N -2 3 265.309 1.931 20 0 CDADHL O=C(Nc1ncccc1[O-])c1cc(=O)[n-]c(C2CC2)n1 ZINC000646590557 392584134 /nfs/dbraw/zinc/58/41/34/392584134.db2.gz PVKNZHQEUYBPPQ-UHFFFAOYSA-N -2 3 272.264 1.413 20 0 CDADHL CC(C)[C@@H](C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000645942714 393412873 /nfs/dbraw/zinc/41/28/73/393412873.db2.gz TTWOYBSQKHXJJY-ZCFIWIBFSA-N -2 3 278.355 1.164 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])o1 ZINC000263541191 140493595 /nfs/dbraw/zinc/49/35/95/140493595.db2.gz CVFWFISKTZKPDH-UHFFFAOYSA-N -2 3 275.326 1.510 20 0 CDADHL Cc1ccc([O-])c(C(=O)NC2(C(=O)[O-])CCOCC2)c1 ZINC000131764494 413376840 /nfs/dbraw/zinc/37/68/40/413376840.db2.gz UCLSMXRABUUTTC-UHFFFAOYSA-N -2 3 279.292 1.064 20 0 CDADHL C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccccc2[O-])o1 ZINC000035597569 172287433 /nfs/dbraw/zinc/28/74/33/172287433.db2.gz CATQPWAPPOIXME-UHFFFAOYSA-N -2 3 296.304 1.146 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]Cc2ccoc2C)oc1C(=O)[O-] ZINC000663423492 414243502 /nfs/dbraw/zinc/24/35/02/414243502.db2.gz XBESDVCRHXMRBR-UHFFFAOYSA-N -2 3 299.304 1.666 20 0 CDADHL Cc1cccc([N-]S(=O)(=O)C[C@H]2CCCO2)c1C(=O)[O-] ZINC000071171163 176051649 /nfs/dbraw/zinc/05/16/49/176051649.db2.gz AGJBLOKTYDYNDO-SNVBAGLBSA-N -2 3 299.348 1.614 20 0 CDADHL O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1[O-] ZINC000095237134 265299827 /nfs/dbraw/zinc/29/98/27/265299827.db2.gz YDUVCUQMJJVFPA-UHFFFAOYSA-N -2 3 281.275 1.825 20 0 CDADHL O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1[O-] ZINC000095237134 265299832 /nfs/dbraw/zinc/29/98/32/265299832.db2.gz YDUVCUQMJJVFPA-UHFFFAOYSA-N -2 3 281.275 1.825 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CC[C@@H](C(=O)[O-])[C@H]2C)n1 ZINC000518782781 424581144 /nfs/dbraw/zinc/58/11/44/424581144.db2.gz MBWVBUCBQWUBEQ-PSASIEDQSA-N -2 3 265.313 1.040 20 0 CDADHL Cc1nc(C=Cc2ccn(C)n2)[n-]c(=O)c1CC(=O)[O-] ZINC000560422385 290486247 /nfs/dbraw/zinc/48/62/47/290486247.db2.gz ZHAQRRMQWUMSIG-ONEGZZNKSA-N -2 3 274.280 1.022 20 0 CDADHL CS[C@H](C)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000162541563 292825228 /nfs/dbraw/zinc/82/52/28/292825228.db2.gz ZSHNOYBVCNKJLJ-ZCFIWIBFSA-N -2 3 279.339 1.008 20 0 CDADHL Cc1cc(=O)[n-]c([C@@H](C)N2C[C@@H](C)[C@@](C)(C(=O)[O-])C2)n1 ZINC000583446069 325177304 /nfs/dbraw/zinc/17/73/04/325177304.db2.gz MYORTYPUVRIFPJ-PWZJLYFZSA-N -2 3 279.340 1.594 20 0 CDADHL CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C1CC1 ZINC000323938304 483127506 /nfs/dbraw/zinc/12/75/06/483127506.db2.gz IVMJTUWPCUOZQY-LLVKDONJSA-N -2 3 287.337 1.691 20 0 CDADHL COc1ccc([O-])c(C(=O)N2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000054295446 524727340 /nfs/dbraw/zinc/72/73/40/524727340.db2.gz IJEDDMFWFBAZAP-SNVBAGLBSA-N -2 3 293.319 1.728 20 0 CDADHL CCC[C@@H](NC(=O)c1ccc([O-])c(CC)c1)c1nnn[n-]1 ZINC000291843511 528991574 /nfs/dbraw/zinc/99/15/74/528991574.db2.gz FOWICRXJDDVMHB-LLVKDONJSA-N -2 3 289.339 1.739 20 0 CDADHL CC[C@@H](Sc1n[n-]c(-c2ccccn2)n1)C(=O)[O-] ZINC000736929782 575773426 /nfs/dbraw/zinc/77/34/26/575773426.db2.gz VQXGJRZDOWETDH-MRVPVSSYSA-N -2 3 264.310 1.822 20 0 CDADHL Cc1cc(Cl)cc(NC(=O)CN(C)C(=O)[O-])c1[O-] ZINC000738399332 576068998 /nfs/dbraw/zinc/06/89/98/576068998.db2.gz MNBQXJIYMYDYFC-UHFFFAOYSA-N -2 3 272.688 1.902 20 0 CDADHL Cc1ccc(C(=O)NCCSCC(=O)[O-])c([O-])c1C ZINC000738514877 576085573 /nfs/dbraw/zinc/08/55/73/576085573.db2.gz LDVAYZFXKXLRSD-UHFFFAOYSA-N -2 3 283.349 1.557 20 0 CDADHL CC(C)C[C@H](CNC(=O)c1ccc(N)cc1[O-])CC(=O)[O-] ZINC000763084819 576711244 /nfs/dbraw/zinc/71/12/44/576711244.db2.gz QBRRSOMVJVOUKL-JTQLQIEISA-N -2 3 294.351 1.841 20 0 CDADHL Nc1ccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c([O-])c1 ZINC000763095368 576712099 /nfs/dbraw/zinc/71/20/99/576712099.db2.gz HCVIFIWULMTUJU-SNVBAGLBSA-N -2 3 264.281 1.054 20 0 CDADHL O=C([O-])CC1(CNC(=O)c2cc(=O)[n-]cn2)CCCCC1 ZINC001601919032 1175067137 /nfs/dbraw/zinc/06/71/37/1175067137.db2.gz COUNZWVACKAENC-UHFFFAOYSA-N -2 3 293.323 1.337 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)[C@H]1CCN(c2ccccc2)C1 ZINC001601994396 1175104035 /nfs/dbraw/zinc/10/40/35/1175104035.db2.gz ALBXTJOYHRLREO-LBPRGKRZSA-N -2 3 292.335 1.426 20 0 CDADHL CC(C)N(CCC(=O)[O-])C(=O)c1ccc(O)cc1[O-] ZINC000037584915 600558025 /nfs/dbraw/zinc/55/80/25/600558025.db2.gz SEVQSGMVUFTPTA-UHFFFAOYSA-N -2 3 267.281 1.423 20 0 CDADHL O=C([O-])C1(CNC(=O)c2ccc(O)cc2[O-])CCCC1 ZINC000165322672 601601216 /nfs/dbraw/zinc/60/12/16/601601216.db2.gz YZKONPMLUFUUHO-UHFFFAOYSA-N -2 3 279.292 1.473 20 0 CDADHL CCc1nc([N-]C(=O)c2nonc2C)sc1C(=O)[O-] ZINC000833675840 604998232 /nfs/dbraw/zinc/99/82/32/604998232.db2.gz ULERCVHICJGSBF-UHFFFAOYSA-N -2 3 282.281 1.347 20 0 CDADHL C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)c1ccccc1[O-] ZINC000833622978 605158818 /nfs/dbraw/zinc/15/88/18/605158818.db2.gz CHYOWTXMFAUNRI-NSHDSACASA-N -2 3 292.335 1.013 20 0 CDADHL O=C([O-])[C@@H]1CC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000903523028 626014400 /nfs/dbraw/zinc/01/44/00/626014400.db2.gz OORVDZUOOYRNEC-RITPCOANSA-N -2 3 295.769 1.543 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H]1C[C@H]2CCC[C@H]21 ZINC000903549762 626022452 /nfs/dbraw/zinc/02/24/52/626022452.db2.gz RIPAIXNAQWTXCY-NQMVMOMDSA-N -2 3 285.321 1.445 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CC(F)(F)C[C@H]2C(=O)[O-])n1 ZINC000903615496 626037812 /nfs/dbraw/zinc/03/78/12/626037812.db2.gz ZWNCWJVDMCDXFW-QMMMGPOBSA-N -2 3 287.266 1.039 20 0 CDADHL CC[C@](C)(NC(=O)NCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909049845 628491371 /nfs/dbraw/zinc/49/13/71/628491371.db2.gz WEECCBMRQXDQKP-ZDUSSCGKSA-N -2 3 284.287 1.584 20 0 CDADHL O=C([O-])[C@@H](CNC(=O)Cc1ccc([O-])c(F)c1)CC1CC1 ZINC000909879071 628725473 /nfs/dbraw/zinc/72/54/73/628725473.db2.gz ASZKIZSENJEEPO-LLVKDONJSA-N -2 3 295.310 1.691 20 0 CDADHL O=C([O-])c1ccc(CCC(=O)[N-]OC[C@@H]2CCOC2)cc1 ZINC000911801718 629530839 /nfs/dbraw/zinc/53/08/39/629530839.db2.gz CVBFVZMAIWMJCZ-GFCCVEGCSA-N -2 3 293.319 1.402 20 0 CDADHL O=C([O-])C12CCC(C(=O)[N-]OC[C@H]3CCOC3)(CC1)C2 ZINC000911804134 629534539 /nfs/dbraw/zinc/53/45/39/629534539.db2.gz XDCMZNGZWFOXSE-FNBIGBAISA-N -2 3 283.324 1.106 20 0 CDADHL O=C([O-])[C@]1(C(=O)Nc2ncccc2[O-])C[C@@H]1c1ccccc1 ZINC001608567424 1164549210 /nfs/dbraw/zinc/54/92/10/1164549210.db2.gz UXNOEIMVKVFNRP-BDJLRTHQSA-N -2 3 298.298 1.984 20 0 CDADHL O=C([O-])c1cc(C(=O)Nc2cc(F)ccc2[O-])ccn1 ZINC001610705694 1165409765 /nfs/dbraw/zinc/40/97/65/1165409765.db2.gz VEWUNISUGXYFOF-UHFFFAOYSA-N -2 3 276.223 1.877 20 0 CDADHL Cc1cccc([C@H](CC(=O)[O-])NC(=O)c2cn[n-]n2)c1 ZINC001600516150 1174494254 /nfs/dbraw/zinc/49/42/54/1174494254.db2.gz LDQIHPRDTWPPIL-JTQLQIEISA-N -2 3 274.280 1.059 20 0 CDADHL CC(C)([N-]C(=O)C(F)(F)F)c1cccc(-c2nn[n-]n2)c1 ZINC001603160338 1175504687 /nfs/dbraw/zinc/50/46/87/1175504687.db2.gz GRJIBETYJXEITL-UHFFFAOYSA-N -2 3 299.256 1.780 20 0 CDADHL Cc1[nH]c(C(=O)Nc2ncccc2[O-])c(C)c1C(=O)[O-] ZINC001607491849 1164203905 /nfs/dbraw/zinc/20/39/05/1164203905.db2.gz AWPCMTVZHWLONX-UHFFFAOYSA-N -2 3 275.264 1.683 20 0 CDADHL O=C([O-])CCCCNC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001608713093 1164615473 /nfs/dbraw/zinc/61/54/73/1164615473.db2.gz KUIVDBRERIZLSF-UHFFFAOYSA-N -2 3 279.296 1.044 20 0 CDADHL C[C@@H](C(=O)[O-])[C@H](C)NC(=O)c1cc([O-])ccc1Cl ZINC000235505576 812709751 /nfs/dbraw/zinc/70/97/51/812709751.db2.gz FDAKRNPXGYFQRV-RQJHMYQMSA-N -2 3 271.700 1.885 20 0 CDADHL CC1(CC[N-]S(=O)(=O)c2occc2C(=O)[O-])CC1 ZINC000871995359 816878750 /nfs/dbraw/zinc/87/87/50/816878750.db2.gz UKZSNKBQTITKHF-UHFFFAOYSA-N -2 3 273.310 1.446 20 0 CDADHL NC(=O)c1cnoc1[N-]c1ccc(C(=O)[O-])s1 ZINC001174807013 913359060 /nfs/dbraw/zinc/35/90/60/913359060.db2.gz GDNNFFAISBEKRU-UHFFFAOYSA-N -2 3 253.239 1.277 20 0 CDADHL Cc1ccc(C(=O)N[C@H]2CC=C(C(=O)[O-])C2)c([O-])c1 ZINC000695040313 898871487 /nfs/dbraw/zinc/87/14/87/898871487.db2.gz QZJBIPYTRRHGOE-JTQLQIEISA-N -2 3 261.277 1.604 20 0 CDADHL CC(=O)c1cccc([N-]S(=O)(=O)CC2CC2)c1[O-] ZINC001188969441 921245043 /nfs/dbraw/zinc/24/50/43/921245043.db2.gz QUJVRGVXFOXPOQ-UHFFFAOYSA-N -2 3 269.322 1.747 20 0 CDADHL C[C@@H](COc1ccccc1)OCCP(=O)([O-])[O-] ZINC001224605551 909924985 /nfs/dbraw/zinc/92/49/85/909924985.db2.gz JTEIBFWARFANHI-JTQLQIEISA-N -2 3 260.226 1.648 20 0 CDADHL COC[C@@H](C)OC[C@@H](C)OCCCCP(=O)([O-])[O-] ZINC001225019648 941814994 /nfs/dbraw/zinc/81/49/94/941814994.db2.gz ZKTZMMQLTZXOHE-GHMZBOCLSA-N -2 3 284.289 1.401 20 0 CDADHL O=C(CC1CCC(O)CC1)NCCCCP(=O)([O-])[O-] ZINC001144352152 931776404 /nfs/dbraw/zinc/77/64/04/931776404.db2.gz DNLHEPZIQPTWGT-UHFFFAOYSA-N -2 3 293.300 1.002 20 0 CDADHL O=C(CCCc1nnn[n-]1)Nc1ccc([O-])c(F)c1F ZINC001157811353 938549521 /nfs/dbraw/zinc/54/95/21/938549521.db2.gz BUMLQHNVYUUDBE-UHFFFAOYSA-N -2 3 283.238 1.145 20 0 CDADHL O=C(CCCc1nn[n-]n1)Nc1ccc([O-])c(F)c1F ZINC001157811353 938549522 /nfs/dbraw/zinc/54/95/22/938549522.db2.gz BUMLQHNVYUUDBE-UHFFFAOYSA-N -2 3 283.238 1.145 20 0 CDADHL O=Nc1c(=O)[n-]c(=O)[nH]c1Nc1cc(F)cc(C(=O)[O-])c1 ZINC001209886673 940649339 /nfs/dbraw/zinc/64/93/39/940649339.db2.gz AEJOHGJEKGAQLZ-UHFFFAOYSA-N -2 3 294.198 1.867 20 0 CDADHL O=C([O-])c1sccc1Nc1cc(=O)[n-]c(=S)[nH]1 ZINC001215386365 940882208 /nfs/dbraw/zinc/88/22/08/940882208.db2.gz CRILAWCZPOWCOZ-UHFFFAOYSA-N -2 3 269.307 1.974 20 0 CDADHL C[C@H](COCCP(=O)([O-])[O-])OCc1ccccc1 ZINC001224606322 941775190 /nfs/dbraw/zinc/77/51/90/941775190.db2.gz NXKFFFQSBLQQQL-LLVKDONJSA-N -2 3 274.253 1.786 20 0 CDADHL O=P([O-])([O-])CCCCOC[C@@H]1Cc2ccccc2O1 ZINC001225019868 941814835 /nfs/dbraw/zinc/81/48/35/941814835.db2.gz BKCFPUSGTWEAJP-LBPRGKRZSA-N -2 3 286.264 1.965 20 0 CDADHL C[C@H](Oc1nc2ncnc-2c([S-])[n-]1)c1cnccn1 ZINC001226786339 942071162 /nfs/dbraw/zinc/07/11/62/942071162.db2.gz PTHRTSPMKNLNSR-LURJTMIESA-N -2 3 274.309 1.572 20 0 CDADHL CC[C@@H]1OC(=O)C(Oc2nc3ncnc-3c([S-])[n-]2)=C1C ZINC001226787221 942072531 /nfs/dbraw/zinc/07/25/31/942072531.db2.gz WSHUDZLPLBKPOX-LURJTMIESA-N -2 3 292.320 1.630 20 0 CDADHL O=C([O-])CC[C@@H](O)C(=O)Oc1nc2cc(Cl)ccc2[n-]1 ZINC001227262543 942160590 /nfs/dbraw/zinc/16/05/90/942160590.db2.gz RQEDPIDMEXFDAF-SECBINFHSA-N -2 3 298.682 1.347 20 0 CDADHL O=c1nc2cn[n-]c2c(O[C@@H]2CCCc3cccnc32)[n-]1 ZINC001233934533 943693513 /nfs/dbraw/zinc/69/35/13/943693513.db2.gz LAIGJUROLXXBGL-SNVBAGLBSA-N -2 3 283.291 1.498 20 0 CDADHL CO[C@@H](COc1[n-]c(=O)nc2cn[n-]c21)c1ccccc1 ZINC001233934873 943693878 /nfs/dbraw/zinc/69/38/78/943693878.db2.gz OOSKYOHLZNOONR-NSHDSACASA-N -2 3 286.291 1.413 20 0 CDADHL O=c1nc2cn[n-]c2c(O[C@H]2CC(F)(F)C2(F)F)[n-]1 ZINC001233944473 943696762 /nfs/dbraw/zinc/69/67/62/943696762.db2.gz NQLOPMVZESLAOV-BYPYZUCNSA-N -2 3 278.165 1.068 20 0 CDADHL C[C@@H]1CC[C@@H](C)[C@H](Oc2[n-]c(=O)nc3cn[n-]c32)C1 ZINC001233940591 943697171 /nfs/dbraw/zinc/69/71/71/943697171.db2.gz XUROBSLTJKSVFQ-NQMVMOMDSA-N -2 3 262.313 1.850 20 0 CDADHL O=C([O-])CCC(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC001611421381 971039847 /nfs/dbraw/zinc/03/98/47/971039847.db2.gz GBNQFYGGROQXNI-UHFFFAOYSA-N -2 3 292.247 1.350 20 0 CDADHL O=C([O-])c1ccc(-c2cc(F)cc(-c3nnn[n-]3)c2)cn1 ZINC001242337130 946681545 /nfs/dbraw/zinc/68/15/45/946681545.db2.gz ABWYJCROZKTNBF-UHFFFAOYSA-N -2 3 285.238 1.766 20 0 CDADHL O=C([O-])c1ccc(-c2cc(F)cc(-c3nn[n-]n3)c2)cn1 ZINC001242337130 946681551 /nfs/dbraw/zinc/68/15/51/946681551.db2.gz ABWYJCROZKTNBF-UHFFFAOYSA-N -2 3 285.238 1.766 20 0 CDADHL CCOc1nnc(NC(=O)Cc2ccccc2C(=O)[O-])[n-]1 ZINC000228758294 949636011 /nfs/dbraw/zinc/63/60/11/949636011.db2.gz LSRVHTJKHNOBRA-UHFFFAOYSA-N -2 3 290.279 1.083 20 0 CDADHL CCOc1nc(NC(=O)Cc2ccccc2C(=O)[O-])n[n-]1 ZINC000228758294 949636028 /nfs/dbraw/zinc/63/60/28/949636028.db2.gz LSRVHTJKHNOBRA-UHFFFAOYSA-N -2 3 290.279 1.083 20 0 CDADHL CCOc1n[n-]c(NC(=O)Cc2ccccc2C(=O)[O-])n1 ZINC000228758294 949636040 /nfs/dbraw/zinc/63/60/40/949636040.db2.gz LSRVHTJKHNOBRA-UHFFFAOYSA-N -2 3 290.279 1.083 20 0 CDADHL CCN(C(=O)c1cc2c(cc1[O-])OCO2)[C@@H](C)C(=O)[O-] ZINC001589705588 950279519 /nfs/dbraw/zinc/27/95/19/950279519.db2.gz KGRIXTUBAFOOFJ-ZETCQYMHSA-N -2 3 281.264 1.056 20 0 CDADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)C(F)(F)F ZINC001252364628 951220780 /nfs/dbraw/zinc/22/07/80/951220780.db2.gz PVQNCBTZTSJCAQ-UHFFFAOYSA-N -2 3 299.226 1.440 20 0 CDADHL CC[C@H](C)[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)C(=O)[O-] ZINC001593613730 953478880 /nfs/dbraw/zinc/47/88/80/953478880.db2.gz XPUQTUHGELNKMZ-WKEGUHRASA-N -2 3 294.286 1.326 20 0 CDADHL CCC(CC)(CNC(=O)c1cccc2n[n-]nc21)C(=O)[O-] ZINC001589500334 955029445 /nfs/dbraw/zinc/02/94/45/955029445.db2.gz JFXSSYSLDYDHGD-UHFFFAOYSA-N -2 3 290.323 1.579 20 0 CDADHL Nc1ccc(C(=O)OCCCC(=O)[O-])c([O-])c1Cl ZINC001594665666 956573028 /nfs/dbraw/zinc/57/30/28/956573028.db2.gz LGMJJTHXSIMJIC-UHFFFAOYSA-N -2 3 273.672 1.649 20 0 CDADHL CC(=O)c1cccc(NC(=O)[C@]2(C(=O)[O-])CCCO2)c1[O-] ZINC001588533624 958909400 /nfs/dbraw/zinc/90/94/00/958909400.db2.gz ADTOCZLDFRBUKI-AWEZNQCLSA-N -2 3 293.275 1.167 20 0 CDADHL C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001574273852 960612013 /nfs/dbraw/zinc/61/20/13/960612013.db2.gz HCPCFNDEUIQHFK-GMSGAONNSA-N -2 3 291.307 1.137 20 0 CDADHL O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1ccccc1[O-] ZINC000299943463 962948347 /nfs/dbraw/zinc/94/83/47/962948347.db2.gz MAUOQHDMZOWMOR-KWBADKCTSA-N -2 3 275.304 1.718 20 0 CDADHL CC(C)(C)O[N-]C(=O)Cc1ccccc1C(=O)[O-] ZINC000228052986 967710725 /nfs/dbraw/zinc/71/07/25/967710725.db2.gz GFWZBUAKWLAEIZ-UHFFFAOYSA-N -2 3 251.282 1.774 20 0 CDADHL Cc1ccc(C(=O)Nc2c[nH]nc2C(=O)[O-])c([O-])c1 ZINC001574356660 969857017 /nfs/dbraw/zinc/85/70/17/969857017.db2.gz DAPINVPCUGUGLQ-UHFFFAOYSA-N -2 3 261.237 1.374 20 0 CDADHL O=C([O-])[C@@H]1CC12CCN(C(=O)c1ccc(O)cc1[O-])CC2 ZINC000405407958 973872071 /nfs/dbraw/zinc/87/20/71/973872071.db2.gz VCTOBERZPCFTRZ-NSHDSACASA-N -2 3 291.303 1.425 20 0 CDADHL CCC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694190461 976677930 /nfs/dbraw/zinc/67/79/30/976677930.db2.gz WZNLHJYKPCGQQE-VXNVDRBHSA-N -2 3 273.310 1.445 20 0 CDADHL C[C@@H](CC(=O)[O-])CC(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC001592396131 977957688 /nfs/dbraw/zinc/95/76/88/977957688.db2.gz SVMYNVDPVRVLBS-MRVPVSSYSA-N -2 3 289.295 1.306 20 0 CDADHL CCCCC[C@H](NC(=O)c1cccc2n[n-]nc21)C(=O)[O-] ZINC001595682000 982166123 /nfs/dbraw/zinc/16/61/23/982166123.db2.gz ZLZSMNCGEKDMND-NSHDSACASA-N -2 3 290.323 1.721 20 0 CDADHL C=C/C=C\CC[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001588721405 983971877 /nfs/dbraw/zinc/97/18/77/983971877.db2.gz OPEBAIWZSRJYIK-ARJAWSKDSA-N -2 3 288.350 1.252 20 0 CDADHL C[C@H](C(=O)[O-])N(C(=O)c1ccccc1[O-])C1CCC1 ZINC001589478412 986994422 /nfs/dbraw/zinc/99/44/22/986994422.db2.gz JIWPAXDYCUDCJQ-SECBINFHSA-N -2 3 263.293 1.860 20 0 CDADHL CCc1ccc(C(=O)N2CC(C)(C(=O)[O-])C2)c([O-])c1 ZINC001597498481 988045638 /nfs/dbraw/zinc/04/56/38/988045638.db2.gz FUDDADPCEWMTKR-UHFFFAOYSA-N -2 3 263.293 1.501 20 0 CDADHL C[C@@H]1CN(Cc2ccc([O-])c(F)c2)C[C@@H](C(=O)[O-])O1 ZINC001599866711 989277813 /nfs/dbraw/zinc/27/78/13/989277813.db2.gz MZCAFFWOXHTRSF-PELKAZGASA-N -2 3 269.272 1.205 20 0 CDADHL CC[C@H](C)[C@H](OC(=O)c1c[n-]c(C(=O)OC)c1)C(=O)[O-] ZINC001604942516 1163390697 /nfs/dbraw/zinc/39/06/97/1163390697.db2.gz CAZKHGRYSYRSTP-XVKPBYJWSA-N -2 3 283.280 1.457 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]CCC(=O)[O-])c(F)c1F ZINC000629292482 361816897 /nfs/dbraw/zinc/81/68/97/361816897.db2.gz NLEDIDZJRUDWSS-UHFFFAOYSA-N -2 3 279.264 1.026 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCF)c(F)c1 ZINC000305997003 342184738 /nfs/dbraw/zinc/18/47/38/342184738.db2.gz IBCHIVGIXBEFBP-UHFFFAOYSA-N -2 3 279.264 1.162 20 0 CDADHL CCOC(=O)c1ncc(NC(=O)c2ccc([O-])c(F)c2)[n-]1 ZINC000619448642 349719614 /nfs/dbraw/zinc/71/96/14/349719614.db2.gz ZEMYQNPUKZBYAH-UHFFFAOYSA-N -2 3 293.254 1.683 20 0 CDADHL CCOC(=O)c1nc(NC(=O)c2ccc([O-])c(F)c2)c[n-]1 ZINC000619448642 349719618 /nfs/dbraw/zinc/71/96/18/349719618.db2.gz ZEMYQNPUKZBYAH-UHFFFAOYSA-N -2 3 293.254 1.683 20 0 CDADHL O=C([O-])C1(C[N-]S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000138950925 362011406 /nfs/dbraw/zinc/01/14/06/362011406.db2.gz HVUULKHJSGLFIU-UHFFFAOYSA-N -2 3 291.275 1.108 20 0 CDADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2CC2)c(F)cc1F ZINC000140001130 342447401 /nfs/dbraw/zinc/44/74/01/342447401.db2.gz NCBHGBQCTRBTSQ-UHFFFAOYSA-N -2 3 277.248 1.104 20 0 CDADHL O=C([O-])c1cccc([N-]S(=O)(=O)CCCF)c1F ZINC000114834434 349294670 /nfs/dbraw/zinc/29/46/70/349294670.db2.gz IEKULPSHDJMUIS-UHFFFAOYSA-N -2 3 279.264 1.625 20 0 CDADHL O=C([O-])[C@@H]1C=C[C@H]([N-]S(=O)(=O)c2ccccc2F)C1 ZINC000092181365 180338270 /nfs/dbraw/zinc/33/82/70/180338270.db2.gz ABXXJAJRZXFFLF-BDAKNGLRSA-N -2 3 285.296 1.133 20 0 CDADHL Cc1ccc(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)c([O-])c1 ZINC000156561004 188269379 /nfs/dbraw/zinc/26/93/79/188269379.db2.gz XFGDIUISCFUHRV-SECBINFHSA-N -2 3 275.312 1.089 20 0 CDADHL Cc1ccc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c([O-])c1 ZINC000156561004 188269381 /nfs/dbraw/zinc/26/93/81/188269381.db2.gz XFGDIUISCFUHRV-SECBINFHSA-N -2 3 275.312 1.089 20 0 CDADHL CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000399519556 356008532 /nfs/dbraw/zinc/00/85/32/356008532.db2.gz OEPMJEGSNDWUCD-WPRPVWTQSA-N -2 3 291.394 1.772 20 0 CDADHL Cc1ccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c([O-])c1 ZINC000019423694 356484568 /nfs/dbraw/zinc/48/45/68/356484568.db2.gz UXCJXDAZQASXKH-NSHDSACASA-N -2 3 263.293 1.780 20 0 CDADHL CCCN(CC(=O)[O-])C(=O)c1ccc(OC)cc1[O-] ZINC000038019581 356954243 /nfs/dbraw/zinc/95/42/43/356954243.db2.gz CQAAIXCWMDDBMJ-UHFFFAOYSA-N -2 3 267.281 1.338 20 0 CDADHL C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccco1 ZINC000277348155 366416789 /nfs/dbraw/zinc/41/67/89/366416789.db2.gz WZDNVABUOZNKSO-QMMMGPOBSA-N -2 3 261.299 1.201 20 0 CDADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cccs1 ZINC000297228322 200120211 /nfs/dbraw/zinc/12/02/11/200120211.db2.gz ORPCOWYZXWHUTM-MRVPVSSYSA-N -2 3 277.367 1.670 20 0 CDADHL O=C(Nc1ncccc1[O-])c1cc(F)cc2[n-]nnc21 ZINC000431606757 361020964 /nfs/dbraw/zinc/02/09/64/361020964.db2.gz GLHUVZCOOQEGQR-UHFFFAOYSA-N -2 3 273.227 1.450 20 0 CDADHL O=C(Nc1ncccc1[O-])c1cc(F)cc2nn[n-]c21 ZINC000431606757 361020970 /nfs/dbraw/zinc/02/09/70/361020970.db2.gz GLHUVZCOOQEGQR-UHFFFAOYSA-N -2 3 273.227 1.450 20 0 CDADHL COc1cccc(C(=O)NC[C@H](C(=O)[O-])C(C)C)c1[O-] ZINC000087479480 482859121 /nfs/dbraw/zinc/85/91/21/482859121.db2.gz SCEHRJYTCBMNIX-JTQLQIEISA-N -2 3 281.308 1.487 20 0 CDADHL Cc1csc(S(=O)(=O)[N-]C2(CC(=O)[O-])CC2)c1 ZINC000519409125 361304639 /nfs/dbraw/zinc/30/46/39/361304639.db2.gz VCBVQZBYCUBFTB-UHFFFAOYSA-N -2 3 275.351 1.342 20 0 CDADHL Cc1ncc(CNC(=O)c2ccc(Cl)cc2[O-])c(=O)[n-]1 ZINC000436828295 361584610 /nfs/dbraw/zinc/58/46/10/361584610.db2.gz QBXOEHPNBNUNQX-UHFFFAOYSA-N -2 3 293.710 1.780 20 0 CDADHL C[C@H](CC[N-]S(=O)(=O)c1cccs1)CC(=O)[O-] ZINC000274946851 371197620 /nfs/dbraw/zinc/19/76/20/371197620.db2.gz FWULGIRPLCLVFN-MRVPVSSYSA-N -2 3 277.367 1.527 20 0 CDADHL COC(=O)c1ccc(C(=O)[N-]c2n[n-]c(SC)n2)o1 ZINC000433005013 392315966 /nfs/dbraw/zinc/31/59/66/392315966.db2.gz JKJHAWMDWAETSA-UHFFFAOYSA-N -2 3 282.281 1.159 20 0 CDADHL Cc1ccc(C(=O)NCCSCC(=O)[O-])c([O-])c1 ZINC000262809617 131263820 /nfs/dbraw/zinc/26/38/20/131263820.db2.gz NVUXQIIRAPKGAQ-UHFFFAOYSA-N -2 3 269.322 1.248 20 0 CDADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(Cl)ccc1[O-] ZINC000524468616 393360171 /nfs/dbraw/zinc/36/01/71/393360171.db2.gz UEFYHILBQXLPDA-SECBINFHSA-N -2 3 295.726 1.287 20 0 CDADHL COc1ccc(C(=O)N=c2ccc([O-])n[n-]2)c(C)c1OC ZINC000343720572 152278515 /nfs/dbraw/zinc/27/85/15/152278515.db2.gz VLRLYYGOIAWMNZ-UHFFFAOYSA-N -2 3 289.291 1.182 20 0 CDADHL O=C([O-])[C@@H](NC(=O)c1ccc(O)cc1[O-])C1CCCCC1 ZINC000038036030 174034763 /nfs/dbraw/zinc/03/47/63/174034763.db2.gz IPHMFZISBRDBRA-ZDUSSCGKSA-N -2 3 293.319 1.861 20 0 CDADHL CC[C@@H](C)OCC(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001590415596 1173402127 /nfs/dbraw/zinc/40/21/27/1173402127.db2.gz RJRHKNVEDVMFNB-SECBINFHSA-N -2 3 291.311 1.092 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC2(C3CC3)CC2)o1 ZINC000236465546 280128437 /nfs/dbraw/zinc/12/84/37/280128437.db2.gz VPLSKVKMCHWKAP-UHFFFAOYSA-N -2 3 285.321 1.446 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]C2CCCC2)cc1C(=O)[O-] ZINC000569357977 316770993 /nfs/dbraw/zinc/77/09/93/316770993.db2.gz AMYCQSDPOHFKKE-UHFFFAOYSA-N -2 3 273.310 1.507 20 0 CDADHL COc1cc(C(=O)[N-]c2n[n-]c(-c3ccccn3)n2)on1 ZINC000182131712 323263280 /nfs/dbraw/zinc/26/32/80/323263280.db2.gz ZXEZOZAFOWDOAU-UHFFFAOYSA-N -2 3 286.251 1.116 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC23CCCCC3)o1 ZINC000386987747 323756529 /nfs/dbraw/zinc/75/65/29/323756529.db2.gz JPNJEOXWIWKKHL-SNVBAGLBSA-N -2 3 299.348 1.979 20 0 CDADHL C[C@H]1C[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000052276339 524963344 /nfs/dbraw/zinc/96/33/44/524963344.db2.gz UZNOTGSZNSYTDU-IMTBSYHQSA-N -2 3 273.285 1.211 20 0 CDADHL C[C@H]([N-]C(=O)C(F)(F)Oc1ccc(C=O)cc1)C(=O)[O-] ZINC000737679515 574462200 /nfs/dbraw/zinc/46/22/00/574462200.db2.gz AJJFWLXUFXTBPA-ZETCQYMHSA-N -2 3 287.218 1.060 20 0 CDADHL O=C([O-])N1CCC[C@H]([N-]S(=O)(=O)c2cccs2)C1 ZINC000739928407 574509380 /nfs/dbraw/zinc/50/93/80/574509380.db2.gz XEEHTSSNYQUYCJ-QMMMGPOBSA-N -2 3 290.366 1.169 20 0 CDADHL O=C([O-])c1ccc(C(=O)OCc2cc(=O)c([O-])co2)cc1 ZINC000740122228 574530270 /nfs/dbraw/zinc/53/02/70/574530270.db2.gz YRVANZDMRSPQER-UHFFFAOYSA-N -2 3 290.227 1.401 20 0 CDADHL O=C([O-])[C@@H](SCCc1nn[n-]n1)c1ccccc1 ZINC001601692078 1174945958 /nfs/dbraw/zinc/94/59/58/1174945958.db2.gz VCHFTFZFFUHILI-JTQLQIEISA-N -2 3 264.310 1.301 20 0 CDADHL O=C([O-])C1([N-]C(=O)C(F)(F)c2ccc(F)cc2)CC1 ZINC001601718481 1174965269 /nfs/dbraw/zinc/96/52/69/1174965269.db2.gz DDTGJKMCANTLFM-UHFFFAOYSA-N -2 3 273.210 1.651 20 0 CDADHL C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1CCC(=O)[O-] ZINC000736824164 575759908 /nfs/dbraw/zinc/75/99/08/575759908.db2.gz PCMNSYIGKXRFNL-LLVKDONJSA-N -2 3 292.335 1.370 20 0 CDADHL O=C([O-])[C@@H](F)CSc1n[n-]c(-c2ccccn2)n1 ZINC000739503666 576242662 /nfs/dbraw/zinc/24/26/62/576242662.db2.gz VKMDUADGAAIVAC-LURJTMIESA-N -2 3 268.273 1.382 20 0 CDADHL O=C([O-])CCc1nnc([N-]C(=O)c2ccoc2)s1 ZINC000739781092 576293303 /nfs/dbraw/zinc/29/33/03/576293303.db2.gz DFQCWNCOYBMABS-UHFFFAOYSA-N -2 3 267.266 1.401 20 0 CDADHL O=C([O-])/C=C\c1ccc(C(=O)[N-]c2nncs2)o1 ZINC001601878131 1175046471 /nfs/dbraw/zinc/04/64/71/1175046471.db2.gz YQZJSGJTMRJWED-RQOWECAXSA-N -2 3 265.250 1.481 20 0 CDADHL CC(C)(C)OCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000308560775 599775078 /nfs/dbraw/zinc/77/50/78/599775078.db2.gz FCSPOOSZUCPORV-UHFFFAOYSA-N -2 3 291.325 1.071 20 0 CDADHL CCCCCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000037464702 599764421 /nfs/dbraw/zinc/76/44/21/599764421.db2.gz LZMTXHWWPQKMHB-UHFFFAOYSA-N -2 3 275.326 1.836 20 0 CDADHL C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000827381078 601121921 /nfs/dbraw/zinc/12/19/21/601121921.db2.gz YKRIWVOWZUZUMD-NSHDSACASA-N -2 3 292.335 1.013 20 0 CDADHL O=C([O-])CC1([N-]C(=O)C(F)(F)C(F)F)CCOCC1 ZINC000692004997 601328961 /nfs/dbraw/zinc/32/89/61/601328961.db2.gz HGJOFESUOALWFQ-UHFFFAOYSA-N -2 3 287.209 1.027 20 0 CDADHL CN(C(=O)c1cc2c(cc1[O-])OCO2)C(C)(C)C(=O)[O-] ZINC000833686486 604708192 /nfs/dbraw/zinc/70/81/92/604708192.db2.gz XHXORBHRDVCHSQ-UHFFFAOYSA-N -2 3 281.264 1.056 20 0 CDADHL O=C([O-])C1(NC(=O)NCc2ccc([O-])c(F)c2)CCC1 ZINC000909050382 628491421 /nfs/dbraw/zinc/49/14/21/628491421.db2.gz ZZLMEYKMRDBZEU-UHFFFAOYSA-N -2 3 282.271 1.338 20 0 CDADHL O=C([O-])C1(CNC(=O)Cc2ccc([O-])c(F)c2)CCC1 ZINC000909273240 628587329 /nfs/dbraw/zinc/58/73/29/628587329.db2.gz MONRWMRSXRZVTF-UHFFFAOYSA-N -2 3 281.283 1.445 20 0 CDADHL O=C([O-])C[C@]1(NC(=O)c2cc([O-])ccc2Cl)CCOC1 ZINC000909699605 628631244 /nfs/dbraw/zinc/63/12/44/628631244.db2.gz OKMUTZJJUHPHLB-CYBMUJFWSA-N -2 3 299.710 1.409 20 0 CDADHL O=C([O-])C12CCC(C(=O)[N-]OC[C@H]3CCOC3)(CC1)CC2 ZINC000911804178 629534451 /nfs/dbraw/zinc/53/44/51/629534451.db2.gz YJNRTOBZVWBLTM-QGLTVNCISA-N -2 3 297.351 1.496 20 0 CDADHL O=P([O-])([O-])CCO[C@@H]1CC(F)(F)C1(F)F ZINC001224602123 1160780384 /nfs/dbraw/zinc/78/03/84/1160780384.db2.gz OKBKYDDWWQOIKP-SCSAIBSYSA-N -2 3 252.100 1.224 20 0 CDADHL CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1cccc(CC)c1[O-] ZINC001605622621 1163626006 /nfs/dbraw/zinc/62/60/06/1163626006.db2.gz UNEGYUWZNUJEFT-LBPRGKRZSA-N -2 3 295.335 1.516 20 0 CDADHL O=C([O-])c1ccc(-c2nnn[n-]2)c(C=Cc2cccnc2)n1 ZINC001606962299 1164040006 /nfs/dbraw/zinc/04/00/06/1164040006.db2.gz OIJLKCNDMDYJKD-HYXAFXHYSA-N -2 3 294.274 1.525 20 0 CDADHL O=C([O-])c1ccc(-c2nn[n-]n2)c(C=Cc2cccnc2)n1 ZINC001606962299 1164040008 /nfs/dbraw/zinc/04/00/08/1164040008.db2.gz OIJLKCNDMDYJKD-HYXAFXHYSA-N -2 3 294.274 1.525 20 0 CDADHL O=C([O-])C1=CC[C@@H](NC(=O)c2cc(F)cc3n[n-]nc32)C1 ZINC001608586430 1164558464 /nfs/dbraw/zinc/55/84/64/1164558464.db2.gz KELOWCASAWZHJL-MRVPVSSYSA-N -2 3 290.254 1.000 20 0 CDADHL CC[C@@H](Nc1ccc(-c2nn[n-]n2)cc1F)C(=O)[O-] ZINC000095273610 1166614476 /nfs/dbraw/zinc/61/44/76/1166614476.db2.gz JMYSAFZZSBPLSF-MRVPVSSYSA-N -2 3 265.248 1.281 20 0 CDADHL C[C@](CNCc1csc(C2CC2)n1)(CC(=O)[O-])C(=O)[O-] ZINC001646235187 1167716784 /nfs/dbraw/zinc/71/67/84/1167716784.db2.gz ZXFPDMBWGKDPQB-CYBMUJFWSA-N -2 3 298.364 1.676 20 0 CDADHL CC[C@@H](C)OCC(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001590415596 1173402123 /nfs/dbraw/zinc/40/21/23/1173402123.db2.gz RJRHKNVEDVMFNB-SECBINFHSA-N -2 3 291.311 1.092 20 0 CDADHL Cc1cc(SCCC(=O)[O-])c(-c2nnn[n-]2)cn1 ZINC001592066868 1173791641 /nfs/dbraw/zinc/79/16/41/1173791641.db2.gz FWKKKQHKOCMMDX-UHFFFAOYSA-N -2 3 265.298 1.137 20 0 CDADHL Cc1cc(SCCC(=O)[O-])c(-c2nn[n-]n2)cn1 ZINC001592066868 1173791644 /nfs/dbraw/zinc/79/16/44/1173791644.db2.gz FWKKKQHKOCMMDX-UHFFFAOYSA-N -2 3 265.298 1.137 20 0 CDADHL O=C([O-])COCCNC(=O)c1cc([O-])c2ccccc2c1 ZINC001595113436 1174197042 /nfs/dbraw/zinc/19/70/42/1174197042.db2.gz XRLOGJTVYOLOIE-UHFFFAOYSA-N -2 3 289.287 1.376 20 0 CDADHL O=C([O-])c1ccc(C(=O)NCc2ncccc2[O-])cc1F ZINC001601551726 1174898771 /nfs/dbraw/zinc/89/87/71/1174898771.db2.gz ALBNZLUSHYHPBV-UHFFFAOYSA-N -2 3 290.250 1.555 20 0 CDADHL O=C([O-])c1cc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC001601613694 1174912542 /nfs/dbraw/zinc/91/25/42/1174912542.db2.gz RRWIWHZVJMUQPH-UHFFFAOYSA-N -2 3 298.262 1.145 20 0 CDADHL O=C([O-])c1cc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC001601613694 1174912545 /nfs/dbraw/zinc/91/25/45/1174912545.db2.gz RRWIWHZVJMUQPH-UHFFFAOYSA-N -2 3 298.262 1.145 20 0 CDADHL O=C([O-])c1ccc2c(c1)nc(-c1ccc([O-])cn1)[nH]c2=O ZINC001602410459 1175233256 /nfs/dbraw/zinc/23/32/56/1175233256.db2.gz DTVVCMCWCLBTFD-UHFFFAOYSA-N -2 3 283.243 1.801 20 0 CDADHL C[C@@H](CN(C)c1ccc(Cl)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001603511863 1175561260 /nfs/dbraw/zinc/56/12/60/1175561260.db2.gz LHZILCSNYVESIN-ZETCQYMHSA-N -2 3 295.730 1.677 20 0 CDADHL C[C@@H](CN(C)c1ccc(Cl)cc1-c1nn[n-]n1)C(=O)[O-] ZINC001603511863 1175561267 /nfs/dbraw/zinc/56/12/67/1175561267.db2.gz LHZILCSNYVESIN-ZETCQYMHSA-N -2 3 295.730 1.677 20 0 CDADHL CC[C@@H](C)CON=c1nc(-c2nn[n-]n2)cc(C)[n-]1 ZINC001609184519 1164826440 /nfs/dbraw/zinc/82/64/40/1164826440.db2.gz DOMBYAWPYFVZEQ-SSDOTTSWSA-N -2 3 263.305 1.355 20 0 CDADHL O=C([O-])C[C@@H]1CN(Cc2c(F)ccc([O-])c2F)CCO1 ZINC001610764146 1165433990 /nfs/dbraw/zinc/43/39/90/1165433990.db2.gz JGTBWPSQXYZKQI-MRVPVSSYSA-N -2 3 287.262 1.346 20 0 CDADHL CCN(CC(=O)[O-])C(=O)NCc1ccc([O-])c(F)c1 ZINC000780686473 818036033 /nfs/dbraw/zinc/03/60/33/818036033.db2.gz MNOIRIIQZISRAK-UHFFFAOYSA-N -2 3 270.260 1.147 20 0 CDADHL CC1(C)CCC[C@@H]1[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871993709 818340712 /nfs/dbraw/zinc/34/07/12/818340712.db2.gz OHVUUAWKUYSBIT-VIFPVBQESA-N -2 3 287.337 1.835 20 0 CDADHL O=C([O-])[C@H]1CCCCN1C(=O)NCc1ccc([O-])c(F)c1 ZINC000780686142 819846803 /nfs/dbraw/zinc/84/68/03/819846803.db2.gz JWPJRXNQORQFAM-LLVKDONJSA-N -2 3 296.298 1.680 20 0 CDADHL CC(C)(CCC(=O)[O-])NC(=O)c1ccc(N)cc1[O-] ZINC000763025380 820033643 /nfs/dbraw/zinc/03/36/43/820033643.db2.gz IJXRWISODKVDIT-UHFFFAOYSA-N -2 3 266.297 1.348 20 0 CDADHL CC(=O)c1ccc(C(=O)NCC(C)(C)C(=O)[O-])cc1[O-] ZINC000842732058 821965827 /nfs/dbraw/zinc/96/58/27/821965827.db2.gz FTHJYHAXJZDMRX-UHFFFAOYSA-N -2 3 279.292 1.435 20 0 CDADHL O=C([O-])[C@@H]1C[C@H](NC(=O)Cc2ccc([O-])c(F)c2)[C@H]2C[C@H]21 ZINC000923197615 822116480 /nfs/dbraw/zinc/11/64/80/822116480.db2.gz PJTAOKZQEGCWIF-KLBPJQLPSA-N -2 3 293.294 1.299 20 0 CDADHL C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2scnc2C(=O)[O-])C1 ZINC000130980274 822474548 /nfs/dbraw/zinc/47/45/48/822474548.db2.gz LQBCDWOYJMWCAL-RNFRBKRXSA-N -2 3 290.366 1.308 20 0 CDADHL C[C@@H](COC(C)(C)C)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233933454 913150517 /nfs/dbraw/zinc/15/05/17/913150517.db2.gz AUOIMVOVOXIKPB-ZETCQYMHSA-N -2 3 266.301 1.229 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][N-]C(=O)C2CCCC2)s1 ZINC000029048751 905385065 /nfs/dbraw/zinc/38/50/65/905385065.db2.gz PSAQKTGPMZTJMF-UHFFFAOYSA-N -2 3 288.394 1.556 20 0 CDADHL COc1cccc([C@H](C)Oc2nc(=O)[n-]c(=O)[n-]2)c1 ZINC001227571111 906378289 /nfs/dbraw/zinc/37/82/89/906378289.db2.gz PVRIZCZQNGMJFZ-ZETCQYMHSA-N -2 3 263.253 1.431 20 0 CDADHL O=S(=O)(CC1CCCC1)[N-]c1ncccc1[O-] ZINC001191481143 922576857 /nfs/dbraw/zinc/57/68/57/922576857.db2.gz HKPGIVYSRQUQSX-UHFFFAOYSA-N -2 3 256.327 1.719 20 0 CDADHL O=C(NCCP(=O)([O-])[O-])N[C@@H]1CCc2ccccc21 ZINC001193004690 923382892 /nfs/dbraw/zinc/38/28/92/923382892.db2.gz XULBKPMVKMDVAY-LLVKDONJSA-N -2 3 284.252 1.151 20 0 CDADHL O=C(NCCP(=O)([O-])[O-])Nc1ccccc1F ZINC001202002313 926456504 /nfs/dbraw/zinc/45/65/04/926456504.db2.gz DHNUPSISFXZQFF-UHFFFAOYSA-N -2 3 262.177 1.125 20 0 CDADHL O=C([O-])C=Cc1ccccc1NCCCc1c[n-][nH]c1=O ZINC001164382218 939468685 /nfs/dbraw/zinc/46/86/85/939468685.db2.gz MINMLWMRRSYOLG-ABZNLYFFSA-N -2 3 287.319 1.708 20 0 CDADHL C[C@@H](Oc1nc2ncnc-2c([S-])[n-]1)c1cncnc1 ZINC001226781434 942070437 /nfs/dbraw/zinc/07/04/37/942070437.db2.gz BCQGITPQLOHXSO-ZCFIWIBFSA-N -2 3 274.309 1.572 20 0 CDADHL COC1CCC(Oc2nc3ncnc-3c([S-])[n-]2)CC1 ZINC001226787181 942071817 /nfs/dbraw/zinc/07/18/17/942071817.db2.gz VOTLODDFVWQYKK-UHFFFAOYSA-N -2 3 280.353 1.978 20 0 CDADHL CC(C)C[C@H](Oc1nc(=O)[n-]c(=O)[n-]1)C(=O)OC(C)C ZINC001227566023 942189624 /nfs/dbraw/zinc/18/96/24/942189624.db2.gz FAZSHRAKROGXGL-QMMMGPOBSA-N -2 3 285.300 1.028 20 0 CDADHL CC[C@H](C)S(=O)(=O)[N-]c1ccc(C(=O)OC)cc1[O-] ZINC001260738767 945885145 /nfs/dbraw/zinc/88/51/45/945885145.db2.gz PWNQDDFZXSTFBO-QMMMGPOBSA-N -2 3 287.337 1.719 20 0 CDADHL O=C([O-])CC1(C(=O)Nc2cccc([O-])c2F)CCOCC1 ZINC001594976939 950930910 /nfs/dbraw/zinc/93/09/10/950930910.db2.gz BDMXPVYNQOFILI-UHFFFAOYSA-N -2 3 297.282 1.741 20 0 CDADHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)C(F)F ZINC000389659859 972237221 /nfs/dbraw/zinc/23/72/21/972237221.db2.gz FHDDWMBCJXJFIB-SCSAIBSYSA-N -2 3 285.293 1.378 20 0 CDADHL C[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000062868109 957613649 /nfs/dbraw/zinc/61/36/49/957613649.db2.gz HHFBHCFCAJOPDC-CQSZACIVSA-N -2 3 279.292 1.425 20 0 CDADHL C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC000230401288 960148296 /nfs/dbraw/zinc/14/82/96/960148296.db2.gz UGSNMMLTBKSUOW-BDAKNGLRSA-N -2 3 287.337 1.692 20 0 CDADHL C[C@@H]1CN(C(=O)c2ccccc2[O-])CCN1CCC(=O)[O-] ZINC001571045362 960621736 /nfs/dbraw/zinc/62/17/36/960621736.db2.gz QNMAGBBBXWRBLR-LLVKDONJSA-N -2 3 292.335 1.013 20 0 CDADHL Cc1cc(C(=O)[O-])oc1C(=O)Nc1ncccc1[O-] ZINC001570981935 963090150 /nfs/dbraw/zinc/09/01/50/963090150.db2.gz ASOIZHADTCSNDV-UHFFFAOYSA-N -2 3 262.221 1.639 20 0 CDADHL O=C([O-])[C@@H](C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2)C1CC1 ZINC001605900630 972726581 /nfs/dbraw/zinc/72/65/81/972726581.db2.gz DVNKAWAVVDQDHS-SNVBAGLBSA-N -2 3 275.264 1.318 20 0 CDADHL COc1ccc([O-])c(-c2nc(C3(C(=O)[O-])CCC3)no2)c1 ZINC001604821096 974060988 /nfs/dbraw/zinc/06/09/88/974060988.db2.gz KCMCDNBJTJMBFE-UHFFFAOYSA-N -2 3 290.275 1.957 20 0 CDADHL C[C@@H](/C=C\C(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001592213164 977272458 /nfs/dbraw/zinc/27/24/58/977272458.db2.gz WLUHWACMCXAXGR-DNDNTSGYSA-N -2 3 295.769 1.709 20 0 CDADHL Cn1nc(C(=O)[O-])cc1NC(=O)c1cc([O-])ccc1Cl ZINC000724755555 978239463 /nfs/dbraw/zinc/23/94/63/978239463.db2.gz QRMCXGJFHRKXHB-UHFFFAOYSA-N -2 3 295.682 1.730 20 0 CDADHL CC(C)c1ccc(C(=O)NC[C@H](C)C(=O)[O-])c([O-])c1 ZINC001592696732 979150717 /nfs/dbraw/zinc/15/07/17/979150717.db2.gz HNLLXIBOMNSHAR-VIFPVBQESA-N -2 3 265.309 1.966 20 0 CDADHL C[C@@H](C[N-]S(=O)(=O)c1csnc1C(=O)[O-])C1CC1 ZINC001592721945 979221843 /nfs/dbraw/zinc/22/18/43/979221843.db2.gz IKVWLRKUSCNGQK-LURJTMIESA-N -2 3 290.366 1.166 20 0 CDADHL CC[C@@H]1C[C@@H](CC(=O)[N-]OCCCC(=O)[O-])CCO1 ZINC001595412324 981010508 /nfs/dbraw/zinc/01/05/08/981010508.db2.gz CLOIYPQFTAMUGB-WDEREUQCSA-N -2 3 273.329 1.494 20 0 CDADHL CC(=O)c1ccc(C(=O)NC2(C(=O)[O-])CCCC2)cc1[O-] ZINC001589275953 985986192 /nfs/dbraw/zinc/98/61/92/985986192.db2.gz NSGLZTYMBFCIJE-UHFFFAOYSA-N -2 3 291.303 1.722 20 0 CDADHL CCc1ccc(C(=O)N[C@@H]2CC=C(C(=O)[O-])C2)c([O-])c1 ZINC001597500062 988053503 /nfs/dbraw/zinc/05/35/03/988053503.db2.gz DPWSZABXRDFODU-LLVKDONJSA-N -2 3 275.304 1.858 20 0 CDADHL COc1cnc([C@H]2CCCN2C/C(C)=C/C(=O)[O-])[n-]c1=O ZINC001599725017 991605366 /nfs/dbraw/zinc/60/53/66/991605366.db2.gz RGPOKFBACHPLPK-OLKPEBQYSA-N -2 3 293.323 1.359 20 0 CDADHL CC[C@@](COC)(NC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC001605048706 1163431749 /nfs/dbraw/zinc/43/17/49/1163431749.db2.gz IWIGRDMADVVZAZ-AWEZNQCLSA-N -2 3 299.298 1.070 20 0 CDADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)C1CC1 ZINC001605104108 1163452757 /nfs/dbraw/zinc/45/27/57/1163452757.db2.gz VUSBTOZNLVNTST-JTQLQIEISA-N -2 3 287.337 1.753 20 0 CDADHL Cn1[n-]c(C(=O)N2CCCc3cccc([O-])c32)cc1=O ZINC000613159568 347436429 /nfs/dbraw/zinc/43/64/29/347436429.db2.gz NGDCINRSYZFTDZ-UHFFFAOYSA-N -2 3 273.292 1.424 20 0 CDADHL O=C(c1cccc([O-])c1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000614474641 348121969 /nfs/dbraw/zinc/12/19/69/348121969.db2.gz WOBCCXCIUVQNIJ-UHFFFAOYSA-N -2 3 289.291 1.501 20 0 CDADHL CC[C@](C)(C[N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000211122391 358745345 /nfs/dbraw/zinc/74/53/45/358745345.db2.gz QMTAGIUJLUFSNS-SNVBAGLBSA-N -2 3 277.367 1.527 20 0 CDADHL C[C@@H](O[C@H](C)C(=O)Nc1cc(F)ccc1[O-])C(=O)[O-] ZINC000421803933 359432716 /nfs/dbraw/zinc/43/27/16/359432716.db2.gz IVPAYXJEXZUIJW-RNFRBKRXSA-N -2 3 271.244 1.348 20 0 CDADHL CC[C@@H]([N-]S(=O)(=O)c1cccc(C)c1F)C(=O)[O-] ZINC000275015435 192878441 /nfs/dbraw/zinc/87/84/41/192878441.db2.gz CLCBGSSZIIWZRJ-MRVPVSSYSA-N -2 3 275.301 1.276 20 0 CDADHL O=C(Nc1ccccc1[O-])C(=O)c1ccc([O-])cc1 ZINC000436683234 361556606 /nfs/dbraw/zinc/55/66/06/361556606.db2.gz YYLFJNXHAQONRR-UHFFFAOYSA-N -2 3 257.245 1.919 20 0 CDADHL CCc1ccc([O-])c(C(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC000263571027 368489718 /nfs/dbraw/zinc/48/97/18/368489718.db2.gz IWMQAQKWSMFUFC-JTQLQIEISA-N -2 3 263.293 1.501 20 0 CDADHL O=c1[n-]nc([C@@H]2CCCN(Cc3ncccc3[O-])C2)o1 ZINC000582308883 370390044 /nfs/dbraw/zinc/39/00/44/370390044.db2.gz AXCHQHPBNHWSIE-SECBINFHSA-N -2 3 276.296 1.255 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@H](CC(F)F)C(=O)[O-])s1 ZINC000275180541 371200646 /nfs/dbraw/zinc/20/06/46/371200646.db2.gz DHDSJLWMJDMHSY-ZCFIWIBFSA-N -2 3 299.320 1.443 20 0 CDADHL O=C([O-])CC[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000127107617 375042004 /nfs/dbraw/zinc/04/20/04/375042004.db2.gz UHBQIBJMNRSLMN-UHFFFAOYSA-N -2 3 281.692 1.232 20 0 CDADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])cc1F ZINC000261612905 140363291 /nfs/dbraw/zinc/36/32/91/140363291.db2.gz AMRUTESPPLDRHG-LURJTMIESA-N -2 3 279.264 1.025 20 0 CDADHL O=C(N=c1ccc([O-])n[n-]1)c1cccc(Cn2ccnc2)c1 ZINC000343706727 152272432 /nfs/dbraw/zinc/27/24/32/152272432.db2.gz HIAGCZBKEIPZSM-UHFFFAOYSA-N -2 3 295.302 1.101 20 0 CDADHL O=C([O-])[C@H](NC(=O)c1ccccc1[O-])c1ccccc1 ZINC000022142362 171355560 /nfs/dbraw/zinc/35/55/60/171355560.db2.gz LXYHTGWTCOVRQU-CYBMUJFWSA-N -2 3 271.272 1.948 20 0 CDADHL COc1ccc([O-])c(C(=O)N[C@@H](C(=O)[O-])C(C)C)c1 ZINC000037433090 173203089 /nfs/dbraw/zinc/20/30/89/173203089.db2.gz GHHVYYLURUMNMM-LLVKDONJSA-N -2 3 267.281 1.240 20 0 CDADHL CC[C@@H](C(=O)[O-])N(C)C(=O)c1cccc(C)c1[O-] ZINC000044612314 175217338 /nfs/dbraw/zinc/21/73/38/175217338.db2.gz IITUXCBQNHKDNL-JTQLQIEISA-N -2 3 251.282 1.636 20 0 CDADHL C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000071207695 176080863 /nfs/dbraw/zinc/08/08/63/176080863.db2.gz QSNYPGNFLUUMRZ-IONNQARKSA-N -2 3 289.378 1.913 20 0 CDADHL O=C([O-])CN(C(=O)c1ccc2n[n-]nc2c1)C1CCC1 ZINC000655588318 424116032 /nfs/dbraw/zinc/11/60/32/424116032.db2.gz CLXMXCIBSYYWAG-UHFFFAOYSA-N -2 3 274.280 1.037 20 0 CDADHL O=C([O-])[C@H](CC1CCC1)[N-]S(=O)(=O)c1ccco1 ZINC000530473177 281515916 /nfs/dbraw/zinc/51/59/16/281515916.db2.gz YNGJUGPNIANPIR-VIFPVBQESA-N -2 3 273.310 1.201 20 0 CDADHL CCc1cc(=O)[n-]c(CN(CC)CCC(=O)[O-])n1 ZINC000563282774 293333126 /nfs/dbraw/zinc/33/31/26/293333126.db2.gz NAYFUFDNQUWANE-UHFFFAOYSA-N -2 3 253.302 1.041 20 0 CDADHL CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000570916832 294331684 /nfs/dbraw/zinc/33/16/84/294331684.db2.gz PZESLGGDWLSFPS-NXEZZACHSA-N -2 3 289.353 1.837 20 0 CDADHL CSCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000577219256 317288198 /nfs/dbraw/zinc/28/81/98/317288198.db2.gz XITDEEOAOMRIIP-UHFFFAOYSA-N -2 3 293.366 1.318 20 0 CDADHL COc1ccc2nc(-c3n[n-]c(C4CC4)n3)[n-]c(=O)c2c1 ZINC000577711282 317385919 /nfs/dbraw/zinc/38/59/19/317385919.db2.gz OSTDWTKCSKNAFQ-UHFFFAOYSA-N -2 3 283.291 1.594 20 0 CDADHL CC[C@@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000054468815 521994674 /nfs/dbraw/zinc/99/46/74/521994674.db2.gz VEDDAEFBRHGSOG-SSDOTTSWSA-N -2 3 277.367 1.771 20 0 CDADHL CC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000184838874 522231316 /nfs/dbraw/zinc/23/13/16/522231316.db2.gz HCNYQJUFLKJQKF-MRVPVSSYSA-N -2 3 289.328 1.909 20 0 CDADHL Cc1ccc([O-])c(C(=O)N(C)C(C)(C)C(=O)[O-])c1 ZINC000061150026 525332425 /nfs/dbraw/zinc/33/24/25/525332425.db2.gz POILUHPADLRDGX-UHFFFAOYSA-N -2 3 251.282 1.636 20 0 CDADHL O=C([O-])CCCC[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000070198361 527583706 /nfs/dbraw/zinc/58/37/06/527583706.db2.gz XXDUNQHXZZMJEO-UHFFFAOYSA-N -2 3 293.291 1.498 20 0 CDADHL Cc1ccc([O-])c(C(=O)NOCCCC(=O)[O-])c1 ZINC001600465443 1174484662 /nfs/dbraw/zinc/48/46/62/1174484662.db2.gz ZPDMQTJBHXHUQX-UHFFFAOYSA-N -2 3 253.254 1.227 20 0 CDADHL Cc1cccc([O-])c1C(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001600542971 1174500510 /nfs/dbraw/zinc/50/05/10/1174500510.db2.gz YVHKOKQXSCAOMD-GDGBQDQQSA-N -2 3 261.277 1.103 20 0 CDADHL COCCN(CCC(=O)[O-])C(=O)c1cccc(C)c1[O-] ZINC000737799549 574755392 /nfs/dbraw/zinc/75/53/92/574755392.db2.gz UMRUGFXADVGHNU-UHFFFAOYSA-N -2 3 281.308 1.264 20 0 CDADHL CC(C)c1ccc(C(=O)N[C@@H](C)C(=O)[O-])c([O-])c1 ZINC000736513638 575678704 /nfs/dbraw/zinc/67/87/04/575678704.db2.gz TYIIWBNZANZKIO-QMMMGPOBSA-N -2 3 251.282 1.719 20 0 CDADHL C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1CCC(=O)[O-] ZINC000736824165 575759761 /nfs/dbraw/zinc/75/97/61/575759761.db2.gz PCMNSYIGKXRFNL-NSHDSACASA-N -2 3 292.335 1.370 20 0 CDADHL O=C(NCCc1n[n-]c(=S)o1)c1cc(F)ccc1[O-] ZINC000773106561 575783271 /nfs/dbraw/zinc/78/32/71/575783271.db2.gz WCYXRQZYYUDMKR-UHFFFAOYSA-N -2 3 283.284 1.176 20 0 CDADHL CC(C)Cn1[n-]c(CC(=O)Nc2ccccc2[O-])cc1=O ZINC000750822750 577007992 /nfs/dbraw/zinc/00/79/92/577007992.db2.gz VYRCHJDRMDLELQ-UHFFFAOYSA-N -2 3 289.335 1.719 20 0 CDADHL COc1cccc(C(=O)Nc2cc(C(=O)[O-])n(C)c2)c1[O-] ZINC000832518451 601760981 /nfs/dbraw/zinc/76/09/81/601760981.db2.gz CWEQGCRPDRSOBH-UHFFFAOYSA-N -2 3 290.275 1.690 20 0 CDADHL O=C([O-])c1cccc(CN=c2ncnc3[nH][n-]cc2-3)c1 ZINC000821552109 601933988 /nfs/dbraw/zinc/93/39/88/601933988.db2.gz GXDTUYKDIRJMGA-UHFFFAOYSA-N -2 3 269.264 1.037 20 0 CDADHL C[C@H](CNC(=O)c1cc([O-])cc(C(F)(F)F)c1)C(=O)[O-] ZINC000909214956 628571643 /nfs/dbraw/zinc/57/16/43/628571643.db2.gz YNJIHJLGCJPCFN-ZCFIWIBFSA-N -2 3 291.225 1.862 20 0 CDADHL CC(C)[C@H](CO)O[N-]C(=O)C12CCC(C(=O)[O-])(CC1)C2 ZINC000911813401 629507135 /nfs/dbraw/zinc/50/71/35/629507135.db2.gz MQOGDBHTQGRSGU-FNBIGBAISA-N -2 3 285.340 1.086 20 0 CDADHL O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)[N-]O[C@@H]1CCCCO1 ZINC000911799280 629527119 /nfs/dbraw/zinc/52/71/19/629527119.db2.gz IWYCOXLRPBHMAK-HBNTYKKESA-N -2 3 271.313 1.452 20 0 CDADHL O=C([O-])CC1(CC(=O)[N-]OC[C@@H]2CCOC2)CCCC1 ZINC000911803852 629533614 /nfs/dbraw/zinc/53/36/14/629533614.db2.gz VTMFEVBHZBSIFE-LLVKDONJSA-N -2 3 285.340 1.496 20 0 CDADHL O=C([O-])[C@@H](NC(=O)c1ccccc1[O-])c1cccc(O)c1 ZINC001608389129 1164504883 /nfs/dbraw/zinc/50/48/83/1164504883.db2.gz PZESIUMMUDMEHG-ZDUSSCGKSA-N -2 3 287.271 1.654 20 0 CDADHL O=C([O-])C12CCC(C(=O)[N-]OC3CCOCC3)(CC1)CC2 ZINC001608583226 1164557258 /nfs/dbraw/zinc/55/72/58/1164557258.db2.gz QWOWALVHNZPCHC-UHFFFAOYSA-N -2 3 297.351 1.638 20 0 CDADHL Cc1cc(NC(C)(C)CCC(=O)[O-])cc(-c2nnn[n-]2)n1 ZINC001609408665 1164933521 /nfs/dbraw/zinc/93/35/21/1164933521.db2.gz GUZUKRCZJSFLKN-UHFFFAOYSA-N -2 3 290.327 1.047 20 0 CDADHL O=C([O-])C1(COC(=O)c2cc(-c3ccco3)[n-]n2)CC1 ZINC001610877791 1165471766 /nfs/dbraw/zinc/47/17/66/1165471766.db2.gz CJINKHZRRNMCEV-UHFFFAOYSA-N -2 3 276.248 1.691 20 0 CDADHL O=C([O-])CCCCNc1ncc(-c2nnn[n-]2)cc1F ZINC001593277573 1174045609 /nfs/dbraw/zinc/04/56/09/1174045609.db2.gz CVFAKCPAENKGLX-UHFFFAOYSA-N -2 3 280.263 1.068 20 0 CDADHL O=C([O-])CCCCNc1ncc(-c2nn[n-]n2)cc1F ZINC001593277573 1174045617 /nfs/dbraw/zinc/04/56/17/1174045617.db2.gz CVFAKCPAENKGLX-UHFFFAOYSA-N -2 3 280.263 1.068 20 0 CDADHL O=c1[n-]c(SCc2cccc(-c3nnn[n-]3)c2F)n[nH]1 ZINC001593541746 1174113190 /nfs/dbraw/zinc/11/31/90/1174113190.db2.gz RFPIBXYZMNBPOW-UHFFFAOYSA-N -2 3 293.287 1.122 20 0 CDADHL O=c1[n-]c(SCc2cccc(-c3nn[n-]n3)c2F)n[nH]1 ZINC001593541746 1174113197 /nfs/dbraw/zinc/11/31/97/1174113197.db2.gz RFPIBXYZMNBPOW-UHFFFAOYSA-N -2 3 293.287 1.122 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]C2(C)CC=CC2)oc1C(=O)[O-] ZINC001600297627 1174440873 /nfs/dbraw/zinc/44/08/73/1174440873.db2.gz UBXPRDVUHSVOIE-UHFFFAOYSA-N -2 3 285.321 1.673 20 0 CDADHL O=C([O-])C[C@@H](CNC(=O)NCc1ncccc1[O-])C1CC1 ZINC001601892320 1175054951 /nfs/dbraw/zinc/05/49/51/1175054951.db2.gz ORBJHEJFIBADNY-JTQLQIEISA-N -2 3 293.323 1.087 20 0 CDADHL O=C([O-])CCN(CC(=O)[O-])Cc1cccc(Cl)c1F ZINC001608721039 1164620404 /nfs/dbraw/zinc/62/04/04/1164620404.db2.gz UBICWTUAMMVCDC-UHFFFAOYSA-N -2 3 289.690 1.840 20 0 CDADHL O=C([O-])[C@@H](CC(F)F)NC(=O)c1cc([O-])ccc1Cl ZINC000388558253 824529494 /nfs/dbraw/zinc/52/94/94/824529494.db2.gz ZYHGZVFUZKYAKB-MRVPVSSYSA-N -2 3 293.653 1.884 20 0 CDADHL Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)[N-]OCC(C)(C)O ZINC000791261878 826324041 /nfs/dbraw/zinc/32/40/41/826324041.db2.gz JLKXZJXMDOHQMM-UHFFFAOYSA-N -2 3 297.355 1.220 20 0 CDADHL CCO[N-]C(=O)C[N-]C(=O)C(F)(F)c1ccc(F)cc1 ZINC000846496077 826848277 /nfs/dbraw/zinc/84/82/77/826848277.db2.gz ISPOWNOPLQVVMB-UHFFFAOYSA-N -2 3 290.241 1.101 20 0 CDADHL Cc1[n-][nH]c(=O)c1NC(=O)c1c(C)nc(C(C)C)[n-]c1=O ZINC000854635144 827167097 /nfs/dbraw/zinc/16/70/97/827167097.db2.gz NIPQBHWYUJJTCZ-UHFFFAOYSA-N -2 3 291.311 1.603 20 0 CDADHL Nc1cncc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1 ZINC001206799512 894316659 /nfs/dbraw/zinc/31/66/59/894316659.db2.gz KNPUHLCCZALQLR-UHFFFAOYSA-N -2 3 283.284 1.309 20 0 CDADHL O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1cc([O-])ccc1Cl ZINC000693004725 894688263 /nfs/dbraw/zinc/68/82/63/894688263.db2.gz GJEPSQBRTWJORI-LJGSYFOKSA-N -2 3 269.684 1.639 20 0 CDADHL Cc1ncc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(=O)[n-]1 ZINC001176239500 914004220 /nfs/dbraw/zinc/00/42/20/914004220.db2.gz YYHVQITZSJHEKO-UHFFFAOYSA-N -3 3 289.247 1.631 20 0 CDADHL C[C@H]1C[C@@H]([N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-])CCO1 ZINC001180176891 916173383 /nfs/dbraw/zinc/17/33/83/916173383.db2.gz QMGNYOPXZNXJSZ-WDSKDSINSA-N -2 3 287.209 1.025 20 0 CDADHL CC[C@@H](C)CCC(=O)NCCCCP(=O)([O-])[O-] ZINC001185581394 919683545 /nfs/dbraw/zinc/68/35/45/919683545.db2.gz HVRDPQUZAUTPPE-SNVBAGLBSA-N -2 3 265.290 1.887 20 0 CDADHL CC(C)(C)c1ccc(C(=O)NCS(=O)(=O)[O-])c([O-])c1 ZINC001192335390 923007099 /nfs/dbraw/zinc/00/70/99/923007099.db2.gz HZRJWZRHTYKNRQ-UHFFFAOYSA-N -2 3 287.337 1.265 20 0 CDADHL Cc1nc(NC(=O)c2c(F)ccc(F)c2[O-])cc(=O)[n-]1 ZINC001192695373 923200291 /nfs/dbraw/zinc/20/02/91/923200291.db2.gz ZJHSEXCXWIDKHC-UHFFFAOYSA-N -2 3 281.218 1.727 20 0 CDADHL CC(=O)c1cccc([O-])c1[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC001193261294 923571262 /nfs/dbraw/zinc/57/12/62/923571262.db2.gz JCKFCTRBZSOOJX-JTQLQIEISA-N -2 3 299.348 1.516 20 0 CDADHL COC(=O)CCCS(=O)(=O)[N-]c1cc(F)ccc1[O-] ZINC000085203590 924277669 /nfs/dbraw/zinc/27/76/69/924277669.db2.gz TUDLFNPZHNWGPV-UHFFFAOYSA-N -2 3 291.300 1.226 20 0 CDADHL COc1cc([O-])ccc1C(=O)N=c1ncnc2[nH][n-]c(C)c1-2 ZINC001197153134 925074137 /nfs/dbraw/zinc/07/41/37/925074137.db2.gz CIOHCIVHUCZHPC-UHFFFAOYSA-N -2 3 299.290 1.001 20 0 CDADHL CN(C)c1nc(Nc2cc(F)cc(C(=O)[O-])c2)cc(=O)[n-]1 ZINC001209887138 940649615 /nfs/dbraw/zinc/64/96/15/940649615.db2.gz WIGIMPMUMMRQKR-UHFFFAOYSA-N -2 3 292.270 1.829 20 0 CDADHL C[C@H]1C[C@@H](OCCCCP(=O)([O-])[O-])CCO1 ZINC001225019017 941814577 /nfs/dbraw/zinc/81/45/77/941814577.db2.gz ORYVWGFMIGNGKV-UWVGGRQHSA-N -2 3 252.247 1.528 20 0 CDADHL C[C@@H](Oc1nc2ncnc-2c([S-])[n-]1)c1ncccn1 ZINC001226780162 942067595 /nfs/dbraw/zinc/06/75/95/942067595.db2.gz FKEMFIOQRSUCEC-ZCFIWIBFSA-N -2 3 274.309 1.572 20 0 CDADHL O=c1nc2cn[n-]c2c(O[C@@H]2CCC(F)(F)C2)[n-]1 ZINC001233946308 943696666 /nfs/dbraw/zinc/69/66/66/943696666.db2.gz YJLGQYORAOBSSF-RXMQYKEDSA-N -2 3 256.212 1.213 20 0 CDADHL O=C([O-])CCc1cccc(NC(=O)c2cnn[n-]2)c1 ZINC000134671215 949330962 /nfs/dbraw/zinc/33/09/62/949330962.db2.gz JLRPCABVUCGUHD-UHFFFAOYSA-N -2 3 260.253 1.074 20 0 CDADHL O=C([O-])CCc1cccc(NC(=O)c2cn[n-]n2)c1 ZINC000134671215 949330987 /nfs/dbraw/zinc/33/09/87/949330987.db2.gz JLRPCABVUCGUHD-UHFFFAOYSA-N -2 3 260.253 1.074 20 0 CDADHL CCc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC001593635577 953608522 /nfs/dbraw/zinc/60/85/22/953608522.db2.gz WRQGISLWWDTCGV-SNVBAGLBSA-N -2 3 263.293 1.501 20 0 CDADHL C[C@@H]([N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1)C(F)F ZINC000389694669 972241390 /nfs/dbraw/zinc/24/13/90/972241390.db2.gz KTHLSDOOFBSZDK-SSDOTTSWSA-N -2 3 293.291 1.458 20 0 CDADHL CC[C@@](C)([N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000094220735 958267973 /nfs/dbraw/zinc/26/79/73/958267973.db2.gz PUKNWXOSVHDHOK-LLVKDONJSA-N -2 3 293.291 1.496 20 0 CDADHL CC(C)OC(=O)c1cc(NC(=O)[C@H](C(=O)[O-])C(C)C)[n-]n1 ZINC001573549168 959222370 /nfs/dbraw/zinc/22/23/70/959222370.db2.gz CYAJBHBRBHMAJN-SNVBAGLBSA-N -2 3 297.311 1.270 20 0 CDADHL CC(C)OC(=O)c1cc(NC(=O)[C@H](C(=O)[O-])C(C)C)n[n-]1 ZINC001573549168 959222384 /nfs/dbraw/zinc/22/23/84/959222384.db2.gz CYAJBHBRBHMAJN-SNVBAGLBSA-N -2 3 297.311 1.270 20 0 CDADHL COc1cc(F)cc([N-]S(=O)(=O)CCC(=O)[O-])c1 ZINC000302441781 963085206 /nfs/dbraw/zinc/08/52/06/963085206.db2.gz ULFTWVBHIVYZLY-UHFFFAOYSA-N -2 3 277.273 1.051 20 0 CDADHL Nc1ccc(C(=O)O[C@@H](C(=O)[O-])C2CC2)c([O-])c1Cl ZINC001605654892 974041221 /nfs/dbraw/zinc/04/12/21/974041221.db2.gz XOCZVNLEQFMFSU-SNVBAGLBSA-N -2 3 285.683 1.648 20 0 CDADHL C[C@@H](/C=C/C(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001592213167 977272751 /nfs/dbraw/zinc/27/27/51/977272751.db2.gz WLUHWACMCXAXGR-YMCITTDRSA-N -2 3 295.769 1.709 20 0 CDADHL CC(C)([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C1CCC1 ZINC000710593040 977514165 /nfs/dbraw/zinc/51/41/65/977514165.db2.gz VLFHVUDZAZTOHR-UHFFFAOYSA-N -2 3 287.337 1.835 20 0 CDADHL CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000710641662 977517212 /nfs/dbraw/zinc/51/72/12/977517212.db2.gz PMKXUKOHLSYUBD-WPRPVWTQSA-N -2 3 287.337 1.835 20 0 CDADHL CC[C@H](C)[C@@H](OC(=O)c1cncc([O-])c1)C(=O)[O-] ZINC001594926834 982516936 /nfs/dbraw/zinc/51/69/36/982516936.db2.gz KXKVSHIOMAEGQQ-OIBJUYFYSA-N -2 3 253.254 1.443 20 0 CDADHL CCCN(C(=O)c1ccccc1[O-])[C@@H](C)C(=O)[O-] ZINC001573749495 983098494 /nfs/dbraw/zinc/09/84/94/983098494.db2.gz QSEKTPITHRXNSM-VIFPVBQESA-N -2 3 251.282 1.718 20 0 CDADHL CCOc1nnc(NC(=O)C=Cc2cc(C(=O)[O-])co2)[n-]1 ZINC001597193988 987083083 /nfs/dbraw/zinc/08/30/83/987083083.db2.gz UOWIRGTXTGBRCS-ONEGZZNKSA-N -2 3 292.251 1.147 20 0 CDADHL CCOc1nc(NC(=O)C=Cc2cc(C(=O)[O-])co2)n[n-]1 ZINC001597193988 987083094 /nfs/dbraw/zinc/08/30/94/987083094.db2.gz UOWIRGTXTGBRCS-ONEGZZNKSA-N -2 3 292.251 1.147 20 0 CDADHL CCOc1n[n-]c(NC(=O)C=Cc2cc(C(=O)[O-])co2)n1 ZINC001597193988 987083107 /nfs/dbraw/zinc/08/31/07/987083107.db2.gz UOWIRGTXTGBRCS-ONEGZZNKSA-N -2 3 292.251 1.147 20 0 CDADHL CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001597303610 987417638 /nfs/dbraw/zinc/41/76/38/987417638.db2.gz XNQMFHGXFKWEMI-HTRCEHHLSA-N -2 3 259.283 1.055 20 0 CDADHL CSCC[C@H](OC(=O)c1c[n-]nc1C)C(=O)[O-] ZINC001599797565 988122460 /nfs/dbraw/zinc/12/24/60/988122460.db2.gz MNJLZNQYTPLCTF-QMMMGPOBSA-N -2 3 258.299 1.081 20 0 CDADHL C[C@@H](O)[C@H](NC(=O)c1cc([O-])c2ccccc2c1)C(=O)[O-] ZINC001599845159 988918830 /nfs/dbraw/zinc/91/88/30/988918830.db2.gz KYJSHVGCHAUDIS-OQPBUACISA-N -2 3 289.287 1.109 20 0 CDADHL CC(C)CN(CCC(=O)[O-])C(=O)c1ccc(O)cc1[O-] ZINC001591332281 992310671 /nfs/dbraw/zinc/31/06/71/992310671.db2.gz PDMROVASOPMIEN-UHFFFAOYSA-N -2 3 281.308 1.671 20 0 CDADHL COc1ccc(F)cc1CC(=O)[N-]OCCCC(=O)[O-] ZINC001599582755 993573176 /nfs/dbraw/zinc/57/31/76/993573176.db2.gz HVPSZGPGKKQAFV-UHFFFAOYSA-N -2 3 285.271 1.289 20 0 CDADHL CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccccc1F ZINC000136248533 361806597 /nfs/dbraw/zinc/80/65/97/361806597.db2.gz XLJMHGGCBDZEJB-SNVBAGLBSA-N -2 3 289.328 1.603 20 0 CDADHL COc1ccc([N-]S(=O)(=O)C[C@H](C)OC)c([O-])c1 ZINC000337882544 539066198 /nfs/dbraw/zinc/06/61/98/539066198.db2.gz ZFZIZSMEQFEFFN-QMMMGPOBSA-N -2 3 275.326 1.177 20 0 CDADHL Cc1ccc(C(=O)N(CC(=O)[O-])C2CCOCC2)c([O-])c1 ZINC000535621038 282263943 /nfs/dbraw/zinc/26/39/43/282263943.db2.gz QMWCVCMWKRPWBW-UHFFFAOYSA-N -2 3 293.319 1.406 20 0 CDADHL CN(C)S(=O)(=O)[N-]c1cc(Br)ccc1[O-] ZINC000087049268 179388864 /nfs/dbraw/zinc/38/88/64/179388864.db2.gz IVWAJQXQNNPFNA-UHFFFAOYSA-N -2 3 295.158 1.373 20 0 CDADHL O=C([N-]c1n[n-]c(C(F)(F)F)n1)c1cnc(C2CC2)o1 ZINC000639485953 363078136 /nfs/dbraw/zinc/07/81/36/363078136.db2.gz URDNPROFRHISFB-UHFFFAOYSA-N -2 3 287.201 1.941 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@]23C[C@H]2CCCC3)o1 ZINC000634654707 356644438 /nfs/dbraw/zinc/64/44/38/356644438.db2.gz QWUZHAAYIMODIC-PRHODGIISA-N -2 3 285.321 1.589 20 0 CDADHL Cc1nc([N-]C(=O)c2cc(F)c(F)c([O-])c2F)n[nH]1 ZINC000120236646 358106009 /nfs/dbraw/zinc/10/60/09/358106009.db2.gz UJCKMXKUGGLCQE-UHFFFAOYSA-N -2 3 272.186 1.488 20 0 CDADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccnc2)c(F)c1 ZINC000063009453 358815518 /nfs/dbraw/zinc/81/55/18/358815518.db2.gz RONDCIJDUJZVII-UHFFFAOYSA-N -2 3 296.279 1.720 20 0 CDADHL CCc1ccc([O-])c([N-]S(=O)(=O)C[C@@H]2CCCO2)c1 ZINC000094427181 359553097 /nfs/dbraw/zinc/55/30/97/359553097.db2.gz IOQXRBREDHYIBG-NSHDSACASA-N -2 3 285.365 1.875 20 0 CDADHL CC[C@@](C)(C[N-]S(=O)(=O)c1cnc(C)s1)C(=O)[O-] ZINC000230102339 360241790 /nfs/dbraw/zinc/24/17/90/360241790.db2.gz WJTOVUJQFORYGQ-JTQLQIEISA-N -2 3 292.382 1.231 20 0 CDADHL CC(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000011890068 360929946 /nfs/dbraw/zinc/92/99/46/360929946.db2.gz TWKCXJQIEAKQSB-QMMMGPOBSA-N -2 3 297.785 1.789 20 0 CDADHL O=C(N=c1[nH][n-]cc1Br)c1ccccc1[O-] ZINC000335568651 361513663 /nfs/dbraw/zinc/51/36/63/361513663.db2.gz STFDTYHVUQXWHY-UHFFFAOYSA-N -2 3 282.097 1.552 20 0 CDADHL Cc1ccc(C(=O)NCc2cnc(C)[n-]c2=O)c([O-])c1 ZINC000436824854 361584133 /nfs/dbraw/zinc/58/41/33/361584133.db2.gz DQPNWCYQXQKBQW-UHFFFAOYSA-N -2 3 273.292 1.435 20 0 CDADHL C[C@H]([N-]S(=O)(=O)c1cc(F)cc(Cl)c1)C(=O)[O-] ZINC000340453579 370966679 /nfs/dbraw/zinc/96/66/79/370966679.db2.gz FXCLSGXQBOQPOR-YFKPBYRVSA-N -2 3 281.692 1.231 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C2CCSCC2)o1 ZINC000136338907 369828795 /nfs/dbraw/zinc/82/87/95/369828795.db2.gz OIUXGXALYWNELT-UHFFFAOYSA-N -2 3 291.350 1.152 20 0 CDADHL Cc1csc(S(=O)(=O)[N-]CCC[C@H](C)C(=O)[O-])c1 ZINC000584454296 373794254 /nfs/dbraw/zinc/79/42/54/373794254.db2.gz KZDTXJXGZPOFAF-VIFPVBQESA-N -2 3 291.394 1.836 20 0 CDADHL CC(C)C[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000572117906 377715939 /nfs/dbraw/zinc/71/59/39/377715939.db2.gz FVINAOCIBSWWDX-QMMMGPOBSA-N -2 3 275.326 1.691 20 0 CDADHL CS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1[O-] ZINC000084192653 390654163 /nfs/dbraw/zinc/65/41/63/390654163.db2.gz IWEYRZWOEFRWAZ-UHFFFAOYSA-N -2 3 255.217 1.783 20 0 CDADHL COCCS(=O)(=O)[N-]c1c([O-])cccc1Cl ZINC000647919309 391305849 /nfs/dbraw/zinc/30/58/49/391305849.db2.gz WNBYIPBLLDDFOW-UHFFFAOYSA-N -2 3 265.718 1.434 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CC[C@](C(=O)[O-])(C(C)C)C2)n1 ZINC000563965847 391336397 /nfs/dbraw/zinc/33/63/97/391336397.db2.gz FGYYMLSAHDWMGQ-OAHLLOKOSA-N -2 3 293.367 1.677 20 0 CDADHL C[C@]1(C(=O)N=c2ccc([O-])n[n-]2)CCc2ccccc21 ZINC000648359371 391810299 /nfs/dbraw/zinc/81/02/99/391810299.db2.gz DMDMOYQTICJFEB-HNNXBMFYSA-N -2 3 269.304 1.447 20 0 CDADHL C[C@@H]([C@H]([N-]S(=O)(=O)c1cccs1)C(=O)[O-])C1CC1 ZINC000548990703 391900483 /nfs/dbraw/zinc/90/04/83/391900483.db2.gz CHSKRRCNDHDSIP-XCBNKYQSSA-N -2 3 289.378 1.526 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@H](CCF)C(=O)[O-])sc1C ZINC000656163051 413065367 /nfs/dbraw/zinc/06/53/67/413065367.db2.gz LRGMSUQQHYKRQZ-MRVPVSSYSA-N -2 3 295.357 1.456 20 0 CDADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(F)c1)C(=O)[O-] ZINC000650230732 397798238 /nfs/dbraw/zinc/79/82/38/397798238.db2.gz RLJGEAJRPZAZEY-SECBINFHSA-N -2 3 295.719 1.621 20 0 CDADHL Cc1nc(C=Cc2cnn(C)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000349103169 154051545 /nfs/dbraw/zinc/05/15/45/154051545.db2.gz BWHFBLFYRHULIO-ARJAWSKDSA-N -2 3 274.280 1.022 20 0 CDADHL CC(C)[C@@H]([N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000035219800 172060964 /nfs/dbraw/zinc/06/09/64/172060964.db2.gz OSSFXHQXIQAHCU-MRVPVSSYSA-N -2 3 292.744 1.123 20 0 CDADHL O=C([O-])CCS(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC000037464462 173225329 /nfs/dbraw/zinc/22/53/29/173225329.db2.gz KYVQVQYLVYRUGI-UHFFFAOYSA-N -2 3 281.692 1.696 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C)oc1C(=O)[O-] ZINC000663422130 414246048 /nfs/dbraw/zinc/24/60/48/414246048.db2.gz HUKWNVFBCKETFD-VXNVDRBHSA-N -2 3 287.337 1.753 20 0 CDADHL COc1ccc([O-])c(C(=O)N[C@]2(C(=O)[O-])CCSC2)c1 ZINC000043509006 175059631 /nfs/dbraw/zinc/05/96/31/175059631.db2.gz YXJHIZAXRNNHEN-CYBMUJFWSA-N -2 3 297.332 1.091 20 0 CDADHL C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1ccc2n[n-]nc2c1 ZINC000653317692 424566692 /nfs/dbraw/zinc/56/66/92/424566692.db2.gz FAYRSADPFFCOEJ-RDDDGLTNSA-N -2 3 274.280 1.036 20 0 CDADHL C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000565653294 293654616 /nfs/dbraw/zinc/65/46/16/293654616.db2.gz DGSAVFFTEXQWPU-BQBZGAKWSA-N -2 3 290.366 1.308 20 0 CDADHL CC(C)OCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000568877551 294117097 /nfs/dbraw/zinc/11/70/97/294117097.db2.gz NNPBOTMHRXZIHM-UHFFFAOYSA-N -2 3 291.325 1.071 20 0 CDADHL CC(C)C(C)(C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000575804649 317018037 /nfs/dbraw/zinc/01/80/37/317018037.db2.gz BGOWLWYRRZGRFR-UHFFFAOYSA-N -2 3 292.382 1.554 20 0 CDADHL C[C@@]1(C(=O)[O-])CCC[C@H]1NC(=O)c1ccc2n[n-]nc2c1 ZINC000164607203 482507504 /nfs/dbraw/zinc/50/75/04/482507504.db2.gz KYBWGUYMXHPDHZ-BXUZGUMPSA-N -2 3 288.307 1.331 20 0 CDADHL Cc1ccc(-c2cc(C(=O)OCC(=O)[O-])[n-]n2)o1 ZINC000738249726 574495321 /nfs/dbraw/zinc/49/53/21/574495321.db2.gz WMOOPHLKKHFLQH-UHFFFAOYSA-N -2 3 250.210 1.220 20 0 CDADHL Cc1ccc(-c2cc(C(=O)OCC(=O)[O-])n[n-]2)o1 ZINC000738249726 574495323 /nfs/dbraw/zinc/49/53/23/574495323.db2.gz WMOOPHLKKHFLQH-UHFFFAOYSA-N -2 3 250.210 1.220 20 0 CDADHL O=C(OCc1n[nH]c(=O)[n-]1)c1cc2ccsc2[n-]1 ZINC000774895626 575249408 /nfs/dbraw/zinc/24/94/08/575249408.db2.gz GCSCPCAEAUZMFQ-UHFFFAOYSA-N -2 3 264.266 1.410 20 0 CDADHL CC(C)[C@@H](NC(=O)[O-])C(=O)Nc1ccccc1[O-] ZINC000736381392 575644998 /nfs/dbraw/zinc/64/49/98/575644998.db2.gz KXIKUZJGVZTILI-SNVBAGLBSA-N -2 3 252.270 1.623 20 0 CDADHL O=C(OCc1ccccc1-c1nnn[n-]1)c1cncc([O-])c1 ZINC000738235780 576051884 /nfs/dbraw/zinc/05/18/84/576051884.db2.gz WMGVQPJILBNBIL-UHFFFAOYSA-N -2 3 297.274 1.324 20 0 CDADHL Cc1cccc(C[C@H](C[N-]C(=O)C(F)(F)F)C(=O)[O-])c1 ZINC000738698832 576103562 /nfs/dbraw/zinc/10/35/62/576103562.db2.gz XRVDJXURZMVZJK-SNVBAGLBSA-N -2 3 289.253 1.917 20 0 CDADHL O=C([O-])[C@@H](F)C[N-]C(=O)C(F)(F)c1ccc(F)cc1 ZINC001602169818 1175149404 /nfs/dbraw/zinc/14/94/04/1175149404.db2.gz RJZDXONPXLJLQI-QMMMGPOBSA-N -2 3 279.189 1.456 20 0 CDADHL CC1=C(C(=O)[O-])[C@H](c2ccc([O-])c(F)c2)NC(=S)N1 ZINC000833575560 604555942 /nfs/dbraw/zinc/55/59/42/604555942.db2.gz ASPUZPFIXFTANH-JTQLQIEISA-N -2 3 282.296 1.409 20 0 CDADHL O=C([O-])C[C@H]1CCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000909740280 628657054 /nfs/dbraw/zinc/65/70/54/628657054.db2.gz NCATWIXZDGBWAA-SNVBAGLBSA-N -2 3 281.283 1.540 20 0 CDADHL O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)Cc1ccc([O-])c(F)c1)C2 ZINC000910341381 629016570 /nfs/dbraw/zinc/01/65/70/629016570.db2.gz KDNSHBVOORKCLH-FTGAXOIBSA-N -2 3 293.294 1.443 20 0 CDADHL C[C@H]([N-]S(=O)(=O)c1occc1C(=O)[O-])C1(C)CC1 ZINC001604358985 1163164726 /nfs/dbraw/zinc/16/47/26/1163164726.db2.gz SAGGPZBVLPMIBJ-ZETCQYMHSA-N -2 3 273.310 1.445 20 0 CDADHL Cc1ccnc(N[C@H](C(=O)[O-])C(C)C)c1-c1nnn[n-]1 ZINC001605959188 1163727956 /nfs/dbraw/zinc/72/79/56/1163727956.db2.gz BOSDWFHKKSEGHW-VIFPVBQESA-N -2 3 276.300 1.091 20 0 CDADHL Cc1ccnc(N[C@H](C(=O)[O-])C(C)C)c1-c1nn[n-]n1 ZINC001605959188 1163727961 /nfs/dbraw/zinc/72/79/61/1163727961.db2.gz BOSDWFHKKSEGHW-VIFPVBQESA-N -2 3 276.300 1.091 20 0 CDADHL O=c1c2c([n-]n1-c1ccc(-c3nnn[n-]3)cn1)CCCCC2 ZINC001607037872 1164065143 /nfs/dbraw/zinc/06/51/43/1164065143.db2.gz LRCZZOUFKSBYOR-SNVBAGLBSA-N -2 3 297.322 1.545 20 0 CDADHL O=c1c2c([n-]n1-c1ccc(-c3nn[n-]n3)cn1)CCCCC2 ZINC001607037872 1164065146 /nfs/dbraw/zinc/06/51/46/1164065146.db2.gz LRCZZOUFKSBYOR-SNVBAGLBSA-N -2 3 297.322 1.545 20 0 CDADHL Cc1nc([N-]C(=O)c2cc(C(=O)[O-])no2)cs1 ZINC001607966788 1164356728 /nfs/dbraw/zinc/35/67/28/1164356728.db2.gz UDGOEPMZTCFTGG-UHFFFAOYSA-N -2 3 253.239 1.390 20 0 CDADHL O=C([O-])c1ccn(CCCC(=O)[N-]OC2CCCC2)n1 ZINC001608307342 1164487856 /nfs/dbraw/zinc/48/78/56/1164487856.db2.gz XIJQABDQSFBRTM-UHFFFAOYSA-N -2 3 281.312 1.352 20 0 CDADHL O=C([O-])c1ccc(COC(=O)c2cccc3nn[n-]c32)o1 ZINC001608889652 1164677193 /nfs/dbraw/zinc/67/71/93/1164677193.db2.gz LKTNFGJIXRTQPP-UHFFFAOYSA-N -2 3 287.231 1.606 20 0 CDADHL O=C([O-])c1ccc(COC(=O)c2cccc3[n-]nnc32)o1 ZINC001608889652 1164677196 /nfs/dbraw/zinc/67/71/96/1164677196.db2.gz LKTNFGJIXRTQPP-UHFFFAOYSA-N -2 3 287.231 1.606 20 0 CDADHL O=C([O-])c1ccc(COC(=O)c2cccc3n[n-]nc32)o1 ZINC001608889652 1164677199 /nfs/dbraw/zinc/67/71/99/1164677199.db2.gz LKTNFGJIXRTQPP-UHFFFAOYSA-N -2 3 287.231 1.606 20 0 CDADHL CCn1ccnc1NC(=O)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001578794743 1172009813 /nfs/dbraw/zinc/00/98/13/1172009813.db2.gz MSTMSGDKBJQDQB-UHFFFAOYSA-N -2 3 299.294 1.041 20 0 CDADHL C[C@]1(C(=O)[O-])CCC[C@H]1Nc1cccc(-c2nnn[n-]2)n1 ZINC001590071828 1173247447 /nfs/dbraw/zinc/24/74/47/1173247447.db2.gz YTALUQBORRJJAJ-RNCFNFMXSA-N -2 3 288.311 1.317 20 0 CDADHL O=C([O-])CCCOc1cc(Cl)cc(-c2nnn[n-]2)c1 ZINC001593277493 1174047422 /nfs/dbraw/zinc/04/74/22/1174047422.db2.gz BIAVMFYGVALDEY-UHFFFAOYSA-N -2 3 282.687 1.764 20 0 CDADHL O=C([O-])CCCOc1cc(Cl)cc(-c2nn[n-]n2)c1 ZINC001593277493 1174047427 /nfs/dbraw/zinc/04/74/27/1174047427.db2.gz BIAVMFYGVALDEY-UHFFFAOYSA-N -2 3 282.687 1.764 20 0 CDADHL O=C([O-])/C(=C/c1ccc([O-])c(F)c1)c1ncccn1 ZINC001601635645 1174918100 /nfs/dbraw/zinc/91/81/00/1174918100.db2.gz XCRFNIWEIXZNLN-RMKNXTFCSA-N -2 3 260.224 1.947 20 0 CDADHL COc1cccc(CCC(=O)[N-]OCCCC(=O)[O-])c1 ZINC001607320522 1164146676 /nfs/dbraw/zinc/14/66/76/1164146676.db2.gz MSJGWGFTIYMYDV-UHFFFAOYSA-N -2 3 281.308 1.540 20 0 CDADHL O=C([O-])c1cccc2c1CN(c1cc(=O)[n-]cn1)CC2 ZINC001608942471 1164689526 /nfs/dbraw/zinc/68/95/26/1164689526.db2.gz VCZPMBOQSTVEQQ-UHFFFAOYSA-N -2 3 271.276 1.443 20 0 CDADHL CSc1nc(=O)[n-]c(C)c1C(=O)[N-]OCCC1CC1 ZINC000817379464 833289563 /nfs/dbraw/zinc/28/95/63/833289563.db2.gz OMLRZJXGPBJVBD-UHFFFAOYSA-N -2 3 283.353 1.674 20 0 CDADHL CC[C@@H](C)CO[N-]C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000848120273 829290424 /nfs/dbraw/zinc/29/04/24/829290424.db2.gz CLEMIAZNROPXNQ-MRVPVSSYSA-N -2 3 265.313 1.767 20 0 CDADHL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cccnc1Cl ZINC000070311891 829378468 /nfs/dbraw/zinc/37/84/68/829378468.db2.gz QYRBERGBQPKDPV-SSDOTTSWSA-N -2 3 292.744 1.267 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H]2CC[C@@H]3C[C@@H]32)o1 ZINC000716980808 829811412 /nfs/dbraw/zinc/81/14/12/829811412.db2.gz RJYFAQVBEQJUBR-IVZWLZJFSA-N -2 3 299.348 1.692 20 0 CDADHL CCC1([N-]S(=O)(=O)c2occc2C(=O)[O-])CCC1 ZINC000871993390 829901465 /nfs/dbraw/zinc/90/14/65/829901465.db2.gz IXCQRSYGDPCYDQ-UHFFFAOYSA-N -2 3 273.310 1.589 20 0 CDADHL CCSCCC[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871993408 830109678 /nfs/dbraw/zinc/10/96/78/830109678.db2.gz JSJKWKKHJPQJLX-UHFFFAOYSA-N -2 3 293.366 1.399 20 0 CDADHL CCS(=O)(CC)=NS(=O)(=O)[N-]c1ccccc1[O-] ZINC000872330626 832094628 /nfs/dbraw/zinc/09/46/28/832094628.db2.gz JUNYUDDONHAOEB-UHFFFAOYSA-N -2 3 292.382 1.557 20 0 CDADHL CO[N-]C(=O)C[N-]C(=O)C(F)(F)c1cccc(Cl)c1 ZINC000832769958 834068041 /nfs/dbraw/zinc/06/80/41/834068041.db2.gz QRIOUXUXIVIKIU-UHFFFAOYSA-N -2 3 292.669 1.226 20 0 CDADHL NC(=O)c1ccc(Nc2ccc(C(=O)[O-])s2)cc1[O-] ZINC001174812111 913363636 /nfs/dbraw/zinc/36/36/36/913363636.db2.gz BPKVOIBHRIYGIU-UHFFFAOYSA-N -2 3 278.289 1.994 20 0 CDADHL C[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(C)(C)C ZINC000694175627 898126870 /nfs/dbraw/zinc/12/68/70/898126870.db2.gz GCWLOLMZQIGWAH-MRVPVSSYSA-N -2 3 289.353 1.938 20 0 CDADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc([O-])c(F)c1 ZINC001186233089 919934702 /nfs/dbraw/zinc/93/47/02/919934702.db2.gz CVEZNDGZZBMJTQ-UHFFFAOYSA-N -2 3 279.271 1.241 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1cnn2ccccc12 ZINC001149258235 937164186 /nfs/dbraw/zinc/16/41/86/937164186.db2.gz KHTGQYCBOKGDLK-UHFFFAOYSA-N -2 3 297.251 1.022 20 0 CDADHL O=C(NCc1nc(=O)o[n-]1)c1cc2sccc2c([O-])c1 ZINC001151978360 937323745 /nfs/dbraw/zinc/32/37/45/937323745.db2.gz UOTXSJFRNUYJRX-UHFFFAOYSA-N -2 3 291.288 1.213 20 0 CDADHL CCCS(=O)(=O)[N-]c1c([O-])cccc1C(C)=O ZINC001253705643 935854950 /nfs/dbraw/zinc/85/49/50/935854950.db2.gz ZWEJIJLWKPAKCW-UHFFFAOYSA-N -2 3 257.311 1.747 20 0 CDADHL CCC[C@@H](CC(=O)OC)OCCCCP(=O)([O-])[O-] ZINC001225018547 941814521 /nfs/dbraw/zinc/81/45/21/941814521.db2.gz AJYOSSZWYBSEIE-JTQLQIEISA-N -2 3 282.273 1.693 20 0 CDADHL Cc1ccc([C@@H](C)Oc2[n-]c(=O)nc3cn[n-]c32)cn1 ZINC001233939713 943696859 /nfs/dbraw/zinc/69/68/59/943696859.db2.gz MWYUKGGCKGZKKK-MRVPVSSYSA-N -2 3 271.280 1.490 20 0 CDADHL Cn1cc(S(=O)(=O)[N-]c2cc([O-])c(F)cc2F)cn1 ZINC001259826307 945654648 /nfs/dbraw/zinc/65/46/48/945654648.db2.gz HQCFRIPOLNEIPZ-UHFFFAOYSA-N -2 3 289.263 1.205 20 0 CDADHL O=S(=O)([N-]c1cc([O-])cc(Cl)c1)c1cn[nH]c1 ZINC001260961348 945929567 /nfs/dbraw/zinc/92/95/67/945929567.db2.gz SYCXTGUJHFCDPW-UHFFFAOYSA-N -2 3 273.701 1.570 20 0 CDADHL Cc1ccc([N-]S(=O)(=O)C(F)(F)F)c([O-])c1 ZINC001252347439 951199635 /nfs/dbraw/zinc/19/96/35/951199635.db2.gz ZKLLEAHZLIZIQL-UHFFFAOYSA-N -2 3 255.217 1.962 20 0 CDADHL COc1cccc([O-])c1C(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000404945760 953384023 /nfs/dbraw/zinc/38/40/23/953384023.db2.gz OWYVGGVQPJPLMA-SECBINFHSA-N -2 3 281.308 1.630 20 0 CDADHL C[C@@H]1CCN(C(=O)c2ccc(O)cc2[O-])C[C@@H]1C(=O)[O-] ZINC000693496628 954763052 /nfs/dbraw/zinc/76/30/52/954763052.db2.gz PVOITWCTMFYRIS-KCJUWKMLSA-N -2 3 279.292 1.281 20 0 CDADHL C[C@@H](CN(C)Cc1ccc([O-])c(F)c1F)C(=O)[O-] ZINC001589034231 955547354 /nfs/dbraw/zinc/54/73/54/955547354.db2.gz UNWZYDFVQFNDGZ-ZETCQYMHSA-N -2 3 259.252 1.823 20 0 CDADHL O=C([O-])[C@H]1CCCCCN1C(=O)c1cccc(O)c1[O-] ZINC000126039903 958577722 /nfs/dbraw/zinc/57/77/22/958577722.db2.gz ARCSBBFFFSZZJS-SNVBAGLBSA-N -2 3 279.292 1.567 20 0 CDADHL O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001574332355 960891488 /nfs/dbraw/zinc/89/14/88/960891488.db2.gz IMPUTBHMQKUTQQ-BDAKNGLRSA-N -2 3 291.307 1.043 20 0 CDADHL O=C([O-])Cc1cccc(NC(=O)c2cccc(O)c2[O-])c1 ZINC000126046353 967621578 /nfs/dbraw/zinc/62/15/78/967621578.db2.gz JCRAHLCWKJCGEF-UHFFFAOYSA-N -2 3 287.271 1.977 20 0 CDADHL C[C@@H]1CN(C(=O)c2c([O-])cccc2O)CC[C@H]1C(=O)[O-] ZINC000379985208 968076635 /nfs/dbraw/zinc/07/66/35/968076635.db2.gz KOVRFRJBUCWTHZ-RKDXNWHRSA-N -2 3 279.292 1.281 20 0 CDADHL CC[C@H](C)NC(=S)NCCCCP(=O)([O-])[O-] ZINC001200498954 968342115 /nfs/dbraw/zinc/34/21/15/968342115.db2.gz YGUNYJJQDAXOEG-QMMMGPOBSA-N -2 3 268.319 1.207 20 0 CDADHL O=C([O-])CC1(C(=O)[N-]OCCC2CC2)CCOCC1 ZINC001606071527 973218572 /nfs/dbraw/zinc/21/85/72/973218572.db2.gz GHSJFRBYTRATES-UHFFFAOYSA-N -2 3 271.313 1.106 20 0 CDADHL CCOCC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000694221629 976685846 /nfs/dbraw/zinc/68/58/46/976685846.db2.gz IIKWTGPBDSHNKY-UHFFFAOYSA-N -2 3 291.325 1.071 20 0 CDADHL O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)c1ccc(O)cc1[O-] ZINC000713558434 977647397 /nfs/dbraw/zinc/64/73/97/977647397.db2.gz FVQVBKQNZNPFLI-QMMMGPOBSA-N -2 3 287.218 1.032 20 0 CDADHL CC[C@@H](C(=O)[O-])C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001594749089 981647665 /nfs/dbraw/zinc/64/76/65/981647665.db2.gz UGYPEGNYDHNLKG-CRCLSJGQSA-N -2 3 294.233 1.112 20 0 CDADHL CC[C@H](C)CC[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001573677048 983082167 /nfs/dbraw/zinc/08/21/67/983082167.db2.gz FULXHZGYCXGBBY-ZETCQYMHSA-N -2 3 289.357 1.131 20 0 CDADHL COC(=O)c1cc(C(=O)O[C@H]2CCCC[C@H]2C(=O)[O-])c[n-]1 ZINC001598926257 997653773 /nfs/dbraw/zinc/65/37/73/997653773.db2.gz JSBHZWAFDXAJKB-KOLCDFICSA-N -2 3 295.291 1.602 20 0 CDADHL COC[C@H]([N-]C(=O)C(F)(F)c1ccccc1F)C(=O)[O-] ZINC001599165628 998537695 /nfs/dbraw/zinc/53/76/95/998537695.db2.gz GHWVEIUJUDFEOB-VIFPVBQESA-N -2 3 291.225 1.133 20 0 CDADHL CCc1ccc(C(=O)N[C@](C)(CC)C(=O)[O-])c([O-])c1 ZINC001605804600 1163676834 /nfs/dbraw/zinc/67/68/34/1163676834.db2.gz KJKWZEXSAIPXBA-CQSZACIVSA-N -2 3 265.309 1.938 20 0 CDADHL C[C@@H]1C[C@H]1c1cc(=NC(=O)c2ccc([O-])cc2[O-])[nH][nH]1 ZINC000616439792 342106594 /nfs/dbraw/zinc/10/65/94/342106594.db2.gz COHAQJHIIVERHK-GMSGAONNSA-N -2 3 273.292 1.619 20 0 CDADHL CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000137483841 361927587 /nfs/dbraw/zinc/92/75/87/361927587.db2.gz WKMPTZZXBBDJDE-UHFFFAOYSA-N -2 3 297.785 1.791 20 0 CDADHL C[C@H](C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)C(=O)[O-] ZINC000274890750 365844438 /nfs/dbraw/zinc/84/44/38/365844438.db2.gz FUJILALQYYZLSP-ZCFIWIBFSA-N -2 3 295.719 1.478 20 0 CDADHL O=C(c1cccc([O-])c1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000614387984 348097212 /nfs/dbraw/zinc/09/72/12/348097212.db2.gz VMCOBFNEFSPWSA-SNVBAGLBSA-N -2 3 289.291 1.501 20 0 CDADHL C/C=C\C[C@H](NC(=O)c1cc(OC)ccc1[O-])C(=O)[O-] ZINC000569909622 363200024 /nfs/dbraw/zinc/20/00/24/363200024.db2.gz HVWMJJISAVDNQV-BYCRGOAPSA-N -2 3 279.292 1.550 20 0 CDADHL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]CC(C)(C)F ZINC000634653767 356641390 /nfs/dbraw/zinc/64/13/90/356641390.db2.gz JAEZSIQPCLUBHR-UHFFFAOYSA-N -2 3 293.316 1.567 20 0 CDADHL CCc1cc(=O)[n-]c(CN2C[C@@H](C(=O)[O-])CC[C@H]2C)n1 ZINC000567857991 359045116 /nfs/dbraw/zinc/04/51/16/359045116.db2.gz RRCFZJTVPRRTBC-ZJUUUORDSA-N -2 3 279.340 1.430 20 0 CDADHL Cc1noc(C)c1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000347414810 359392540 /nfs/dbraw/zinc/39/25/40/359392540.db2.gz MATZBBOSUONANI-SNAWJCMRSA-N -2 3 289.291 1.893 20 0 CDADHL CC(=O)c1ccc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1[O-] ZINC000519535151 361341094 /nfs/dbraw/zinc/34/10/94/361341094.db2.gz DTNYDVXGYYEOIS-LBPRGKRZSA-N -2 3 293.319 1.824 20 0 CDADHL CCc1ccc(C(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)c([O-])c1 ZINC000436830222 361585687 /nfs/dbraw/zinc/58/56/87/361585687.db2.gz NPQPBBGLOZAXML-UHFFFAOYSA-N -2 3 289.291 1.717 20 0 CDADHL O=C([N-]c1n[n-]c(C(F)(F)F)n1)c1cc(C2CC2)no1 ZINC000282446583 367890212 /nfs/dbraw/zinc/89/02/12/367890212.db2.gz OKNHPPZRDKLDMW-UHFFFAOYSA-N -2 3 287.201 1.941 20 0 CDADHL Cc1noc(C)c1S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-] ZINC000311601199 374481920 /nfs/dbraw/zinc/48/19/20/374481920.db2.gz OJLZNYNEWVFKJJ-UHFFFAOYSA-N -2 3 290.341 1.071 20 0 CDADHL COCC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000167197897 292862367 /nfs/dbraw/zinc/86/23/67/292862367.db2.gz OCNAOQRZDIAHLF-UHFFFAOYSA-N -2 3 293.366 1.150 20 0 CDADHL CCC[C@@H]([N-]S(=O)(=O)c1cccc(C)c1F)C(=O)[O-] ZINC000262503680 131226734 /nfs/dbraw/zinc/22/67/34/131226734.db2.gz ZOCQYTSBNFJMMB-SECBINFHSA-N -2 3 289.328 1.666 20 0 CDADHL O=C([O-])CCCCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000263228209 131286623 /nfs/dbraw/zinc/28/66/23/131286623.db2.gz AJMGBSXTAPPSNL-UHFFFAOYSA-N -2 3 289.295 1.450 20 0 CDADHL O=C([O-])CCCCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000263228209 131286624 /nfs/dbraw/zinc/28/66/24/131286624.db2.gz AJMGBSXTAPPSNL-UHFFFAOYSA-N -2 3 289.295 1.450 20 0 CDADHL CCn1nccc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000349113068 154054518 /nfs/dbraw/zinc/05/45/18/154054518.db2.gz PRGVKJBCKWKNMV-PLNGDYQASA-N -2 3 288.307 1.505 20 0 CDADHL O=C([O-])[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccco1 ZINC000358847713 158050553 /nfs/dbraw/zinc/05/05/53/158050553.db2.gz NOXCRVGQLFFTPX-NSHDSACASA-N -2 3 295.316 1.254 20 0 CDADHL CSc1ccc([O-])c(C(=O)N[C@@H](C(=O)[O-])C(C)C)c1 ZINC000659761698 414085555 /nfs/dbraw/zinc/08/55/55/414085555.db2.gz DPMVRUKAOATXGC-LLVKDONJSA-N -2 3 283.349 1.953 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2C)oc1C(=O)[O-] ZINC000663419786 414243426 /nfs/dbraw/zinc/24/34/26/414243426.db2.gz UQOLKVQYAMBIPO-XPUUQOCRSA-N -2 3 273.310 1.221 20 0 CDADHL Cc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)c([O-])c1 ZINC000043508490 175059616 /nfs/dbraw/zinc/05/96/16/175059616.db2.gz PWDANXPXHJKVLK-ZDUSSCGKSA-N -2 3 281.333 1.391 20 0 CDADHL CCc1cc(=O)[n-]c(CN(C[C@@H](C)C(=O)[O-])C2CC2)n1 ZINC000518201410 260355148 /nfs/dbraw/zinc/35/51/48/260355148.db2.gz YSXPLCUGWVHHMZ-SECBINFHSA-N -2 3 279.340 1.430 20 0 CDADHL CCc1cc(C(=O)NCCc2c(C)[n-][nH]c2=O)ccc1[O-] ZINC000584344255 328128514 /nfs/dbraw/zinc/12/85/14/328128514.db2.gz FPMQMXXCESVMPB-LBPRGKRZSA-N -2 3 289.335 1.196 20 0 CDADHL O=C(NCc1ncccc1[O-])c1ccc([O-])c(F)c1 ZINC000684350468 482767727 /nfs/dbraw/zinc/76/77/27/482767727.db2.gz PESFHGCKBZYTLY-UHFFFAOYSA-N -2 3 262.240 1.562 20 0 CDADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccco1 ZINC000682895773 483375673 /nfs/dbraw/zinc/37/56/73/483375673.db2.gz BSDATUMYODKSKB-SECBINFHSA-N -2 3 275.326 1.591 20 0 CDADHL COc1ccc(OC)c([C@@H](C)OCCP(=O)([O-])[O-])c1 ZINC001224601253 1160778545 /nfs/dbraw/zinc/77/85/45/1160778545.db2.gz FLXCCIRRNLIBEJ-SECBINFHSA-N -2 3 290.252 1.959 20 0 CDADHL C[C@H](OCCP(=O)([O-])[O-])C(=O)OCc1ccccc1 ZINC001224602134 1160781230 /nfs/dbraw/zinc/78/12/30/1160781230.db2.gz OKTZNPLJENNFKF-JTQLQIEISA-N -2 3 288.236 1.313 20 0 CDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)C1CC1 ZINC000054504923 527655861 /nfs/dbraw/zinc/65/58/61/527655861.db2.gz LAHADMIEBACCCZ-JTQLQIEISA-N -2 3 291.275 1.106 20 0 CDADHL O=C([O-])C1(CNC(=O)c2ccc3n[n-]nc3c2)CCCC1 ZINC000126931340 538556590 /nfs/dbraw/zinc/55/65/90/538556590.db2.gz GRBPZZYBXDLDEB-UHFFFAOYSA-N -2 3 288.307 1.333 20 0 CDADHL O=C([O-])C1=CC[C@H](NC(=O)NCc2ccc([O-])c(F)c2)C1 ZINC001601540113 1174895786 /nfs/dbraw/zinc/89/57/86/1174895786.db2.gz NNUBIJJZPYWCBP-JTQLQIEISA-N -2 3 294.282 1.504 20 0 CDADHL O=C([N-]OC1CCOCC1)c1n[n-]c2ccccc2c1=O ZINC000772715219 575742014 /nfs/dbraw/zinc/74/20/14/575742014.db2.gz ZHXSECIYTASXFR-UHFFFAOYSA-N -2 3 289.291 1.176 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]Cc2ccoc2)cc1C(=O)[O-] ZINC000833026434 601218679 /nfs/dbraw/zinc/21/86/79/601218679.db2.gz BPADACXMZRPVIB-UHFFFAOYSA-N -2 3 285.277 1.358 20 0 CDADHL CCc1cccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1[O-] ZINC000830260149 601289882 /nfs/dbraw/zinc/28/98/82/601289882.db2.gz UJTMBDHRZSQXCJ-LLVKDONJSA-N -2 3 277.320 1.891 20 0 CDADHL CCCCC[C@H](N=c1ncnc2[nH][n-]cc1-2)C(=O)[O-] ZINC000829346767 601383104 /nfs/dbraw/zinc/38/31/04/601383104.db2.gz CMNPGRLOZRVYQE-VIFPVBQESA-N -2 3 263.301 1.172 20 0 CDADHL O=C([O-])NCC(=O)Nc1cc(Br)ccc1[O-] ZINC000832396608 604099043 /nfs/dbraw/zinc/09/90/43/604099043.db2.gz ATKNHZRPZIFQOE-UHFFFAOYSA-N -2 3 289.085 1.361 20 0 CDADHL O=C([O-])C1CCC(NC(=O)c2c([O-])cccc2O)CC1 ZINC000232428849 604773831 /nfs/dbraw/zinc/77/38/31/604773831.db2.gz LLBOPKHSONXCGI-UHFFFAOYSA-N -2 3 279.292 1.471 20 0 CDADHL C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)[C@H](C)C(=O)[O-] ZINC000909650207 620545219 /nfs/dbraw/zinc/54/52/19/620545219.db2.gz UNGSQJQCNIREAL-JGVFFNPUSA-N -2 3 269.272 1.299 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]3CCC[C@H]23)o1 ZINC000903549326 626022106 /nfs/dbraw/zinc/02/21/06/626022106.db2.gz JEMKBTLOBIJHGA-XHNCKOQMSA-N -2 3 285.321 1.445 20 0 CDADHL CC(C)(CO)O[N-]C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000911815134 629508443 /nfs/dbraw/zinc/50/84/43/629508443.db2.gz UCUDIEBXQMCHIF-UHFFFAOYSA-N -2 3 285.340 1.230 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]C[C@H](C)C2CC2)cc1C(=O)[O-] ZINC001608056569 1164396147 /nfs/dbraw/zinc/39/61/47/1164396147.db2.gz PXEIAOCUQORURS-ZETCQYMHSA-N -2 3 287.337 1.611 20 0 CDADHL O=C([O-])c1cccc(CC(=O)[N-]OC/C=C/Cl)c1 ZINC001608364551 1164498324 /nfs/dbraw/zinc/49/83/24/1164498324.db2.gz RPUFPCYTDMMMGA-GORDUTHDSA-N -2 3 269.684 1.728 20 0 CDADHL O=C([O-])c1cncc(NC(=O)[N-]O[C@H]2CCCCO2)c1 ZINC001610699649 1165410194 /nfs/dbraw/zinc/41/01/94/1165410194.db2.gz GQQZXUGPXIOTDR-JTQLQIEISA-N -2 3 281.268 1.360 20 0 CDADHL O=C(CCCc1nnn[n-]1)Nc1ccc([O-])c(Cl)c1 ZINC001151582762 1167083469 /nfs/dbraw/zinc/08/34/69/1167083469.db2.gz MOXXKELNWALKPF-UHFFFAOYSA-N -2 3 281.703 1.520 20 0 CDADHL O=C([O-])[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)Cc1ccc([O-])c(F)c1 ZINC001574398579 1170970693 /nfs/dbraw/zinc/97/06/93/1170970693.db2.gz FLWFITTXVRTBII-RBZYPMLTSA-N -2 3 293.294 1.538 20 0 CDADHL O=C([O-])C[C@H]1CCCN(Cc2cc(C(=O)[O-])no2)C1 ZINC001601951869 1175084119 /nfs/dbraw/zinc/08/41/19/1175084119.db2.gz MBVMQDBMGGBENC-MRVPVSSYSA-N -2 3 268.269 1.060 20 0 CDADHL O=C([O-])CN(Cc1nnc(-c2ccccc2[O-])o1)C1CC1 ZINC001602060508 1175122236 /nfs/dbraw/zinc/12/22/36/1175122236.db2.gz CTBFEVREYBUBCM-UHFFFAOYSA-N -2 3 289.291 1.491 20 0 CDADHL O=C([O-])c1csc(NC(=O)c2cc(=O)[n-]cn2)c1 ZINC001602563436 1175298012 /nfs/dbraw/zinc/29/80/12/1175298012.db2.gz NHQPJBXWCGKABW-UHFFFAOYSA-N -2 3 265.250 1.194 20 0 CDADHL C/C(=C/COC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC001602979716 1175470391 /nfs/dbraw/zinc/47/03/91/1175470391.db2.gz XJGJGZXRKURDLB-YWEYNIOJSA-N -2 3 268.240 1.648 20 0 CDADHL CC(C)OCCO[N-]C(=O)CC1(CC(=O)[O-])CCCC1 ZINC001603925510 1175687773 /nfs/dbraw/zinc/68/77/73/1175687773.db2.gz KWZDWBPLHFAAIB-UHFFFAOYSA-N -2 3 287.356 1.884 20 0 CDADHL O=S(=O)(Cc1ccccc1)[N-]c1ncccc1[O-] ZINC000134773686 1175821134 /nfs/dbraw/zinc/82/11/34/1175821134.db2.gz HMCWTJQWJODDIA-UHFFFAOYSA-N -2 3 264.306 1.729 20 0 CDADHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1cscn1)C(=O)[O-] ZINC001609656241 1165029250 /nfs/dbraw/zinc/02/92/50/1165029250.db2.gz LVWGXRHCZXLNLL-ZETCQYMHSA-N -2 3 292.382 1.311 20 0 CDADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C[C@H]1C=CCC1 ZINC000711709592 839074156 /nfs/dbraw/zinc/07/41/56/839074156.db2.gz ZVMNFCJLGKTYQU-ZETCQYMHSA-N -2 3 288.350 1.086 20 0 CDADHL [S-]c1[n-]c(OC2CC3(COC3)C2)nc2ncnc1-2 ZINC001226781449 905627581 /nfs/dbraw/zinc/62/75/81/905627581.db2.gz BEATWXCEXXYGKZ-UHFFFAOYSA-N -2 3 264.310 1.199 20 0 CDADHL O=S(=O)([N-][C@@H]1[CH]CC=C1)c1ccc(Cl)cn1 ZINC001196273051 924866877 /nfs/dbraw/zinc/86/68/77/924866877.db2.gz PMFFTCGLPCCXEE-VIFPVBQESA-N -2 3 257.722 1.546 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1cnccc1C1CC1 ZINC001197860472 925239558 /nfs/dbraw/zinc/23/95/58/925239558.db2.gz UNRQJZFCKLSJBO-UHFFFAOYSA-N -2 3 298.279 1.647 20 0 CDADHL CC(C)n1cncc1C(=O)NCCCCP(=O)([O-])[O-] ZINC001198116081 925337558 /nfs/dbraw/zinc/33/75/58/925337558.db2.gz ANZNMPAFNXEPNQ-UHFFFAOYSA-N -2 3 289.272 1.152 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])c1ccnc2[nH]ccc21 ZINC001150973239 937260385 /nfs/dbraw/zinc/26/03/85/937260385.db2.gz NZYQBUCRLCLZNF-UHFFFAOYSA-N -2 3 297.251 1.202 20 0 CDADHL CCCCCC[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134671986 930577487 /nfs/dbraw/zinc/57/74/87/930577487.db2.gz QDIDFOVVCWQTHP-UHFFFAOYSA-N -2 3 292.382 1.700 20 0 CDADHL O=C([O-])Cc1cccc(Nc2cc(=O)[n-]c(=S)[nH]2)c1 ZINC001210070442 940660854 /nfs/dbraw/zinc/66/08/54/940660854.db2.gz YTGWYEUDFSLJHD-UHFFFAOYSA-N -2 3 277.305 1.842 20 0 CDADHL Cc1ncc(Nc2ccsc2C(=O)[O-])c(=O)[n-]1 ZINC001215389850 940882576 /nfs/dbraw/zinc/88/25/76/940882576.db2.gz IARPHUMPFBOYQF-UHFFFAOYSA-N -2 3 251.267 1.994 20 0 CDADHL CC(C)OC(=O)N1CCC(OCCP(=O)([O-])[O-])CC1 ZINC001224604615 941774417 /nfs/dbraw/zinc/77/44/17/941774417.db2.gz FBPMTMSQVNLYPV-UHFFFAOYSA-N -2 3 295.272 1.190 20 0 CDADHL CC/C=C\CCOC(=O)[C@H](C)OCCP(=O)([O-])[O-] ZINC001224605274 941774805 /nfs/dbraw/zinc/77/48/05/941774805.db2.gz HDYSDOPQOQZKKH-LWTINBJPSA-N -2 3 280.257 1.469 20 0 CDADHL O=P([O-])([O-])CCO[C@H]1CCCN(c2ccccc2)C1 ZINC001224607999 941775852 /nfs/dbraw/zinc/77/58/52/941775852.db2.gz XOKFQKBNJDBOER-ZDUSSCGKSA-N -2 3 285.280 1.850 20 0 CDADHL CC[C@H]1OC(=O)C(Oc2nc3ncnc-3c([S-])[n-]2)=C1C ZINC001226787225 942072088 /nfs/dbraw/zinc/07/20/88/942072088.db2.gz WSHUDZLPLBKPOX-ZCFIWIBFSA-N -2 3 292.320 1.630 20 0 CDADHL COC(C)(C)C[C@H](C)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233942353 943696236 /nfs/dbraw/zinc/69/62/36/943696236.db2.gz BEOWIJPXNJIOHS-ZETCQYMHSA-N -2 3 266.301 1.229 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnccc2F)cc1 ZINC001260222756 945810424 /nfs/dbraw/zinc/81/04/24/945810424.db2.gz CVDNVPKZSJQRGG-UHFFFAOYSA-N -2 3 296.279 1.720 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]c2cncc([O-])c2)s1 ZINC001260679015 945850703 /nfs/dbraw/zinc/85/07/03/945850703.db2.gz UGWZBWKLXUEMNE-UHFFFAOYSA-N -2 3 270.335 1.958 20 0 CDADHL COc1ccc(F)c([N-]S(=O)(=O)CCC(=O)[O-])c1 ZINC000094854447 958316377 /nfs/dbraw/zinc/31/63/77/958316377.db2.gz LHQGVIMDFIUGEK-UHFFFAOYSA-N -2 3 277.273 1.051 20 0 CDADHL O=C([O-])c1coc(C(=O)N2CCCc3c(=O)[n-]cnc32)c1 ZINC001571036474 960539683 /nfs/dbraw/zinc/53/96/83/960539683.db2.gz ZCMDYONUFUGDKG-UHFFFAOYSA-N -2 3 289.247 1.066 20 0 CDADHL O=C([O-])[C@@H]1CCC[C@H]1[N-]C(=O)C(F)(F)C(F)F ZINC000300481291 963014547 /nfs/dbraw/zinc/01/45/47/963014547.db2.gz VRVJJKDEPWZZJH-RFZPGFLSSA-N -2 3 257.183 1.256 20 0 CDADHL CCOC(=O)c1cc(NC(=O)c2cccc(F)c2[O-])[n-]n1 ZINC001417702283 973303544 /nfs/dbraw/zinc/30/35/44/973303544.db2.gz RJBQUQPITRZANP-UHFFFAOYSA-N -2 3 293.254 1.683 20 0 CDADHL CC[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC001597301266 987410794 /nfs/dbraw/zinc/41/07/94/987410794.db2.gz OEXKODCLDNKIBZ-BDAKNGLRSA-N -2 3 287.337 1.611 20 0 CDADHL Cc1cccc([N-]S(=O)(=O)CCOC(C)C)c1[O-] ZINC000093666490 539035665 /nfs/dbraw/zinc/03/56/65/539035665.db2.gz JFMZIFMNGTTXIT-UHFFFAOYSA-N -2 3 273.354 1.867 20 0 CDADHL CCC(CC)([N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000094240523 539038091 /nfs/dbraw/zinc/03/80/91/539038091.db2.gz MZGMIUWOTYVCSU-UHFFFAOYSA-N -2 3 289.328 1.747 20 0 CDADHL Cc1ccc([O-])c(C(=O)NCC2(C(=O)[O-])CCOCC2)c1 ZINC000165932272 539128234 /nfs/dbraw/zinc/12/82/34/539128234.db2.gz SFDWORLBANRDOO-UHFFFAOYSA-N -2 3 293.319 1.312 20 0 CDADHL O=C([O-])CCC[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000127100249 187281979 /nfs/dbraw/zinc/28/19/79/187281979.db2.gz YUSZPODTXUWSPT-UHFFFAOYSA-N -2 3 295.719 1.622 20 0 CDADHL CO[C@H](C)CS(=O)(=O)[N-]c1cc(C)ccc1[O-] ZINC000193120199 358266792 /nfs/dbraw/zinc/26/67/92/358266792.db2.gz XDGDHTFHTXUUPC-SECBINFHSA-N -2 3 259.327 1.477 20 0 CDADHL CCC(CC)(NC(=O)c1ccc2n[n-]nc2c1)C(=O)[O-] ZINC000094239687 359047174 /nfs/dbraw/zinc/04/71/74/359047174.db2.gz IRBMIAYRQBCEIS-UHFFFAOYSA-N -2 3 276.296 1.331 20 0 CDADHL O=C(N=c1ccc([O-])n[n-]1)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000637126319 359239972 /nfs/dbraw/zinc/23/99/72/359239972.db2.gz GKIXETPGWXZASH-DDTOSNHZSA-N -2 3 267.288 1.129 20 0 CDADHL Cc1nc(C=Cc2ccn(C)n2)[n-]c(=O)c1CC(=O)[O-] ZINC000560422384 359599335 /nfs/dbraw/zinc/59/93/35/359599335.db2.gz ZHAQRRMQWUMSIG-ARJAWSKDSA-N -2 3 274.280 1.022 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)o1 ZINC000515303983 360471691 /nfs/dbraw/zinc/47/16/91/360471691.db2.gz OTRIOJBMRAMBCK-UHFFFAOYSA-N -2 3 287.337 1.511 20 0 CDADHL CC1([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CCCC1 ZINC000518765196 364986390 /nfs/dbraw/zinc/98/63/90/364986390.db2.gz OPTOYKQPZDKUIT-UHFFFAOYSA-N -2 3 273.310 1.589 20 0 CDADHL CC[C@](C)(C[N-]S(=O)(=O)c1cc(C)cs1)C(=O)[O-] ZINC000565289867 370411137 /nfs/dbraw/zinc/41/11/37/370411137.db2.gz RVQHQCVMEIIKMM-LLVKDONJSA-N -2 3 291.394 1.836 20 0 CDADHL O=C(N=c1[n-]nc(-c2ccsc2)s1)c1nnc[n-]1 ZINC000435936240 248210659 /nfs/dbraw/zinc/21/06/59/248210659.db2.gz LRXBUHAQWMVQIV-UHFFFAOYSA-N -2 3 278.322 1.059 20 0 CDADHL O=C(N=c1[n-]nc(-c2ccsc2)s1)c1nc[n-]n1 ZINC000435936240 248210662 /nfs/dbraw/zinc/21/06/62/248210662.db2.gz LRXBUHAQWMVQIV-UHFFFAOYSA-N -2 3 278.322 1.059 20 0 CDADHL O=C(Nc1cc(C(F)(F)F)ccc1[O-])c1n[nH]c(=O)[n-]1 ZINC000530637148 390265253 /nfs/dbraw/zinc/26/52/53/390265253.db2.gz RCCVRVSWIJXTKZ-UHFFFAOYSA-N -2 3 288.185 1.487 20 0 CDADHL C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000430382201 391939155 /nfs/dbraw/zinc/93/91/55/391939155.db2.gz CJLCUEUPOQLAFC-RXMQYKEDSA-N -2 3 298.147 1.745 20 0 CDADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])c(F)cc1F ZINC000261674483 131161061 /nfs/dbraw/zinc/16/10/61/131161061.db2.gz KXAHXIUVVHDICH-LURJTMIESA-N -2 3 279.264 1.025 20 0 CDADHL CCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000020545887 171243799 /nfs/dbraw/zinc/24/37/99/171243799.db2.gz ALSIHGVBNVTGLM-UHFFFAOYSA-N -2 3 279.264 1.351 20 0 CDADHL C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000020593346 171263039 /nfs/dbraw/zinc/26/30/39/171263039.db2.gz OBMZJGACPHQAAV-DTWKUNHWSA-N -2 3 287.337 1.835 20 0 CDADHL CC[C@@H](C)CC[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000656716446 413594940 /nfs/dbraw/zinc/59/49/40/413594940.db2.gz FAXHNZXPTTWMCI-SSDOTTSWSA-N -2 3 292.382 1.556 20 0 CDADHL CCN(C(=O)c1cc(OC)ccc1[O-])[C@@H](C)C(=O)[O-] ZINC000659776319 414104340 /nfs/dbraw/zinc/10/43/40/414104340.db2.gz QUIDYFXYBXDQKA-QMMMGPOBSA-N -2 3 267.281 1.336 20 0 CDADHL COc1cccc(C(=O)N2CCCC[C@H]2CC(=O)[O-])c1[O-] ZINC000038026086 174011158 /nfs/dbraw/zinc/01/11/58/174011158.db2.gz PCNXXGWLDRBRML-JTQLQIEISA-N -2 3 293.319 1.870 20 0 CDADHL O=C([O-])CC1([N-]S(=O)(=O)c2cccs2)CC1 ZINC000398405155 270354286 /nfs/dbraw/zinc/35/42/86/270354286.db2.gz YSCPHCSROOSTOY-UHFFFAOYSA-N -2 3 261.324 1.034 20 0 CDADHL CCCC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000570628993 294275332 /nfs/dbraw/zinc/27/53/32/294275332.db2.gz SEMIEHKDKDIVRI-UHFFFAOYSA-N -2 3 287.337 1.836 20 0 CDADHL CC(=O)c1ccc(C(=O)N(C)CCC(=O)[O-])cc1[O-] ZINC000574756144 295050033 /nfs/dbraw/zinc/05/00/33/295050033.db2.gz ODLCMYBPXRTSKM-UHFFFAOYSA-N -2 3 265.265 1.142 20 0 CDADHL COc1cccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)c1[O-] ZINC000263524094 295287301 /nfs/dbraw/zinc/28/73/01/295287301.db2.gz SMCMMWCPYWMJIV-VHSXEESVSA-N -2 3 293.319 1.726 20 0 CDADHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@@H]2CCCS2)c1 ZINC000566177168 316502503 /nfs/dbraw/zinc/50/25/03/316502503.db2.gz PEQMWLCZVDPBNB-QMMMGPOBSA-N -2 3 291.350 1.152 20 0 CDADHL COc1ccc(C(=O)N=c2cc3ccccn3[n-]2)c([O-])c1 ZINC000578780864 324024473 /nfs/dbraw/zinc/02/44/73/324024473.db2.gz NYHCXVHBDFYBFH-UHFFFAOYSA-N -2 3 283.287 1.723 20 0 CDADHL COc1cccc(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)c1[O-] ZINC000054294214 482530363 /nfs/dbraw/zinc/53/03/63/482530363.db2.gz LZMSBQGEAHONJL-JTQLQIEISA-N -2 3 293.319 1.728 20 0 CDADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)C1CCC1 ZINC000137662621 483532844 /nfs/dbraw/zinc/53/28/44/483532844.db2.gz KVPDPLSPWLDQOB-ZETCQYMHSA-N -2 3 289.378 1.913 20 0 CDADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)C(=O)[O-])c1 ZINC000261672417 536543573 /nfs/dbraw/zinc/54/35/73/536543573.db2.gz KPNLWYOMMGDAFL-ZCFIWIBFSA-N -2 3 293.728 1.100 20 0 CDADHL COc1ccc([O-])c(C(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])c1 ZINC000234958767 536816705 /nfs/dbraw/zinc/81/67/05/536816705.db2.gz HQLDQIAAZUPALH-NOZJJQNGSA-N -2 3 293.319 1.726 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]Cc2ccco2)oc1C(=O)[O-] ZINC001600300393 1174441292 /nfs/dbraw/zinc/44/12/92/1174441292.db2.gz MXWKUHZOLFYFOL-UHFFFAOYSA-N -2 3 285.277 1.358 20 0 CDADHL COC(=O)c1c(C)nc(=O)[n-]c1SCCCC(=O)[O-] ZINC000737652733 574499846 /nfs/dbraw/zinc/49/98/46/574499846.db2.gz WPDBAXUHMGKXPY-UHFFFAOYSA-N -2 3 286.309 1.234 20 0 CDADHL O=C([O-])C[C@H](CNC(=O)NCc1ncccc1[O-])C1CC1 ZINC001601892321 1175054638 /nfs/dbraw/zinc/05/46/38/1175054638.db2.gz ORBJHEJFIBADNY-SNVBAGLBSA-N -2 3 293.323 1.087 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C/C=C/C1CC1 ZINC001602489173 1175261186 /nfs/dbraw/zinc/26/11/86/1175261186.db2.gz VFAMFIZCGUTVOV-OWOJBTEDSA-N -2 3 271.294 1.222 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(F)cc2)o1 ZINC000020593340 599765437 /nfs/dbraw/zinc/76/54/37/599765437.db2.gz IYHJACAPPCIPMV-UHFFFAOYSA-N -2 3 299.279 1.595 20 0 CDADHL C[C@H](Cc1ccco1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000037030723 599769313 /nfs/dbraw/zinc/76/93/13/599769313.db2.gz QYTHMQICXMHWSW-MRVPVSSYSA-N -2 3 299.304 1.480 20 0 CDADHL O=C([O-])[C@H](OC(=O)c1cncc([O-])c1)c1ccccc1F ZINC000833351666 600667288 /nfs/dbraw/zinc/66/72/88/600667288.db2.gz OVBUEMUAXNHHBM-GFCCVEGCSA-N -2 3 291.234 1.909 20 0 CDADHL COc1ccc(C(=O)N2C[C@H](C)[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC000111251398 601691015 /nfs/dbraw/zinc/69/10/15/601691015.db2.gz ABQKCKBTYYHFSB-KWQFWETISA-N -2 3 279.292 1.194 20 0 CDADHL O=C([O-])N1CCC[C@@H]([N-]C(=O)C(F)(F)C(F)F)C1 ZINC000831985518 603448674 /nfs/dbraw/zinc/44/86/74/603448674.db2.gz KMJQSCLVLLRNGV-RXMQYKEDSA-N -2 3 272.198 1.145 20 0 CDADHL O=C([O-])c1cccc(CNC(=O)c2c([O-])cccc2O)c1 ZINC000232428939 604774066 /nfs/dbraw/zinc/77/40/66/604774066.db2.gz YZPUFPMFFISLML-UHFFFAOYSA-N -2 3 287.271 1.726 20 0 CDADHL O=C([O-])CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826461541 607833651 /nfs/dbraw/zinc/83/36/51/607833651.db2.gz YWJZUBFOOPEZPC-UHFFFAOYSA-N -2 3 295.686 1.323 20 0 CDADHL O=C([O-])CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826461541 607833652 /nfs/dbraw/zinc/83/36/52/607833652.db2.gz YWJZUBFOOPEZPC-UHFFFAOYSA-N -2 3 295.686 1.323 20 0 CDADHL CC(=O)c1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)cc1[O-] ZINC000909802296 628680141 /nfs/dbraw/zinc/68/01/41/628680141.db2.gz CATFHLOMJWGOCA-KWQFWETISA-N -2 3 291.303 1.530 20 0 CDADHL O=C([O-])[C@@H]1CCCCCN1C(=O)Cc1ccc([O-])c(F)c1 ZINC000910045043 628841215 /nfs/dbraw/zinc/84/12/15/628841215.db2.gz UUOROEKIQQHKOP-LBPRGKRZSA-N -2 3 295.310 1.930 20 0 CDADHL O=C(CC[C@@H]1C[C@H](C(=O)[O-])CO1)[N-]OC1CCCCC1 ZINC000911806342 629536831 /nfs/dbraw/zinc/53/68/31/629536831.db2.gz SWPWFMNFIAVGDS-CMPLNLGQSA-N -2 3 285.340 1.637 20 0 CDADHL Cc1nc(N[C@@H](CC(C)C)C(=O)[O-])ccc1-c1nn[n-]n1 ZINC001609453432 1164955821 /nfs/dbraw/zinc/95/58/21/1164955821.db2.gz BZLDQVQIFGMQQI-JTQLQIEISA-N -2 3 290.327 1.481 20 0 CDADHL CCc1ccc(C(=O)N[C@@](CC)(COC)C(=O)[O-])c([O-])c1 ZINC001610060307 1165198819 /nfs/dbraw/zinc/19/88/19/1165198819.db2.gz NNZVZUMMGDRQRY-HNNXBMFYSA-N -2 3 295.335 1.564 20 0 CDADHL O=C([O-])[C@@H](CF)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC001610658048 1165400133 /nfs/dbraw/zinc/40/01/33/1165400133.db2.gz SHWLXAPOOYATCU-SNVBAGLBSA-N -2 3 287.262 1.393 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C23CCC(CC2)C3)o1 ZINC001610837620 1165459259 /nfs/dbraw/zinc/45/92/59/1165459259.db2.gz BKOVPWLPMSFJMX-UHFFFAOYSA-N -2 3 285.321 1.589 20 0 CDADHL CCc1ccc([O-])c(C(=O)N2CC[C@H]3[C@@H](C(=O)[O-])[C@H]3C2)c1 ZINC001573832652 1170795615 /nfs/dbraw/zinc/79/56/15/1170795615.db2.gz XYZMQCRAGOHZRK-SCDSUCTJSA-N -2 3 289.331 1.747 20 0 CDADHL Cc1cc(=O)[n-]c(CN[C@@H](C(=O)[O-])c2cccc(O)c2)n1 ZINC001574145269 1170896008 /nfs/dbraw/zinc/89/60/08/1170896008.db2.gz ZXEMDVOGCBNLCC-CYBMUJFWSA-N -2 3 289.291 1.112 20 0 CDADHL Cc1ccnc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)c1 ZINC001592272744 1173841962 /nfs/dbraw/zinc/84/19/62/1173841962.db2.gz KLBUXCHTWNLTCO-UHFFFAOYSA-N -2 3 296.290 1.528 20 0 CDADHL O=C(Nc1cccc(F)c1[O-])c1coc(-c2nnn[n-]2)c1 ZINC001593249032 1174041097 /nfs/dbraw/zinc/04/10/97/1174041097.db2.gz FDGVVEPFBNPGFK-UHFFFAOYSA-N -2 3 289.226 1.557 20 0 CDADHL O=C(Nc1ncccc1[O-])c1ccsc1-c1nnn[n-]1 ZINC001593268538 1174046777 /nfs/dbraw/zinc/04/67/77/1174046777.db2.gz WLKLHZCMAPDFDT-UHFFFAOYSA-N -2 3 288.292 1.281 20 0 CDADHL Cc1cc(=O)[n-]c(N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)n1 ZINC001600285889 1174439082 /nfs/dbraw/zinc/43/90/82/1174439082.db2.gz SRCQGHPIDHXZGJ-CHWSQXEVSA-N -2 3 299.330 1.795 20 0 CDADHL Cc1cc(C)c(-c2nn[n-]n2)c(N[C@H](C)CC(=O)[O-])n1 ZINC000095331457 1174524386 /nfs/dbraw/zinc/52/43/86/1174524386.db2.gz IMAVNTKMKDQQJX-MRVPVSSYSA-N -2 3 276.300 1.154 20 0 CDADHL Cc1ccoc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC001600607347 1174525771 /nfs/dbraw/zinc/52/57/71/1174525771.db2.gz DRHRBXUWGCROSE-UHFFFAOYSA-N -2 3 299.304 1.666 20 0 CDADHL O=C([O-])c1coc(CNC(=O)Cc2ccc([O-])c(F)c2)c1 ZINC001601362512 1174846432 /nfs/dbraw/zinc/84/64/32/1174846432.db2.gz YZBHPRFKQCBACD-UHFFFAOYSA-N -2 3 293.250 1.681 20 0 CDADHL O=C([O-])c1cccc(CC(=O)[N-]OCc2cccnc2)c1 ZINC001601364907 1174847314 /nfs/dbraw/zinc/84/73/14/1174847314.db2.gz UPUMZNAGFZTJHP-UHFFFAOYSA-N -2 3 286.287 1.570 20 0 CDADHL Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1ncccc1[O-] ZINC001607491998 1164204217 /nfs/dbraw/zinc/20/42/17/1164204217.db2.gz AGXVBAQBVIXATB-UHFFFAOYSA-N -2 3 275.264 1.683 20 0 CDADHL CCc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)c([O-])c1 ZINC001610060250 1165199587 /nfs/dbraw/zinc/19/95/87/1165199587.db2.gz KJNYDZRIZCAZMT-ONGXEEELSA-N -2 3 277.320 1.890 20 0 CDADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCC[C@@H]3C[C@@H]32)cc1C(=O)[O-] ZINC001610586855 1165368559 /nfs/dbraw/zinc/36/85/59/1165368559.db2.gz PYROHOBLQYVBMG-MIMYLULJSA-N -2 3 299.348 1.753 20 0 CDADHL CC(C)(CCNC(=O)c1ccc(N)cc1[O-])C(=O)[O-] ZINC000849366028 844815980 /nfs/dbraw/zinc/81/59/80/844815980.db2.gz KVJLVMHIORLUIQ-UHFFFAOYSA-N -2 3 266.297 1.205 20 0 CDADHL CCC[C@H](NC(=O)NCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000780687124 845117016 /nfs/dbraw/zinc/11/70/16/845117016.db2.gz VJPPTDNETBCIOD-JTQLQIEISA-N -2 3 284.287 1.584 20 0 CDADHL O=C([N-][N-]C(=O)C(F)(F)c1ccccc1)c1ccccn1 ZINC000047295540 845960364 /nfs/dbraw/zinc/96/03/64/845960364.db2.gz OISURYQNMNKWGC-UHFFFAOYSA-N -2 3 291.257 1.635 20 0 CDADHL Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)c([O-])c1 ZINC000263346698 846600553 /nfs/dbraw/zinc/60/05/53/846600553.db2.gz OUCOLTFVDRDGKH-WDEREUQCSA-N -2 3 277.320 1.883 20 0 CDADHL CC(=O)c1ccc(C(=O)NCCCCC(=O)[O-])cc1[O-] ZINC000842730129 847583150 /nfs/dbraw/zinc/58/31/50/847583150.db2.gz VIGYXJDQWDUWBE-UHFFFAOYSA-N -2 3 279.292 1.580 20 0 CDADHL O=C([O-])CSCCC(=O)[N-]Oc1ccc(F)cc1 ZINC001602098749 1167816000 /nfs/dbraw/zinc/81/60/00/1167816000.db2.gz YPUZBBSGLXZWPV-UHFFFAOYSA-N -2 3 273.285 1.444 20 0 CDADHL Cc1cccc([O-])c1C(=O)N=c1[n-]cnn2cccc12 ZINC001188637973 921139002 /nfs/dbraw/zinc/13/90/02/921139002.db2.gz DAFXVIUCRRXECF-UHFFFAOYSA-N -2 3 268.276 1.418 20 0 CDADHL O=C([O-])C(F)(F)C(F)(F)C(=O)[N-][C@H]1CC12CCOCC2 ZINC001180176874 916174634 /nfs/dbraw/zinc/17/46/34/916174634.db2.gz QDYDYEROORPPNI-LURJTMIESA-N -2 3 299.220 1.027 20 0 CDADHL O=C(Cc1ccc([S-])cc1)NCCCc1c[n-][nH]c1=O ZINC001183186940 918336195 /nfs/dbraw/zinc/33/61/95/918336195.db2.gz HYUGWKWOUDOACY-NSHDSACASA-N -2 3 291.376 1.146 20 0 CDADHL Cc1[n-][nH]c2ncnc(=NC(=O)c3cccc([S-])c3)c1-2 ZINC001186130260 919899860 /nfs/dbraw/zinc/89/98/60/919899860.db2.gz KKAHZNLIEVZYLN-UHFFFAOYSA-N -2 3 285.332 1.576 20 0 CDADHL O=P([O-])([O-])CCNC(=S)Nc1cccc(F)c1 ZINC001197656517 925187557 /nfs/dbraw/zinc/18/75/57/925187557.db2.gz TYIKPCOVWPWEMK-UHFFFAOYSA-N -2 3 278.245 1.290 20 0 CDADHL O=S(=O)([N-][C@@H]1[CH]CC=C1)c1cccc(Cl)n1 ZINC001198262858 925368108 /nfs/dbraw/zinc/36/81/08/925368108.db2.gz FBAOBAKONSGDNN-QMMMGPOBSA-N -2 3 257.722 1.546 20 0 CDADHL O=P([O-])([O-])CCCCNC(=S)Nc1cccnc1 ZINC001199908169 925899868 /nfs/dbraw/zinc/89/98/68/925899868.db2.gz JEUFFMMSRYCDBW-UHFFFAOYSA-N -2 3 289.297 1.326 20 0 CDADHL O=c1cc(CNc2cc(F)cc(-c3nnn[n-]3)c2)o[n-]1 ZINC001169490004 928134210 /nfs/dbraw/zinc/13/42/10/928134210.db2.gz AAOKVZBWVXBMNH-UHFFFAOYSA-N -2 3 276.231 1.312 20 0 CDADHL O=c1cc(CNc2cc(F)cc(-c3nn[n-]n3)c2)o[n-]1 ZINC001169490004 928134214 /nfs/dbraw/zinc/13/42/14/928134214.db2.gz AAOKVZBWVXBMNH-UHFFFAOYSA-N -2 3 276.231 1.312 20 0 CDADHL CCC[C@@H](NC(=O)c1ccc(Cl)c([O-])c1)c1nn[n-]n1 ZINC001411855678 932079642 /nfs/dbraw/zinc/07/96/42/932079642.db2.gz IWFMDHCQMOWESE-SECBINFHSA-N -2 3 295.730 1.830 20 0 CDADHL CC(C)c1cc(C(=O)NCCCCP(=O)([O-])[O-])no1 ZINC001147484067 932532361 /nfs/dbraw/zinc/53/23/61/932532361.db2.gz AADXXQWJVRQPJP-UHFFFAOYSA-N -2 3 290.256 1.486 20 0 CDADHL O=P([O-])([O-])CCO[C@@H]1CCc2c1nccc2Cl ZINC001224605916 941775140 /nfs/dbraw/zinc/77/51/40/941775140.db2.gz LAPVIJPOMWQTQX-SECBINFHSA-N -2 3 277.644 1.917 20 0 CDADHL O=P([O-])([O-])CCCCO[C@@H]1CCc2nccn2C1 ZINC001225018998 941815198 /nfs/dbraw/zinc/81/51/98/941815198.db2.gz NWYCCIGUVIFROT-SNVBAGLBSA-N -2 3 274.257 1.172 20 0 CDADHL COc1ccc(OC)c([C@H](C)Oc2nc(=O)[n-]c(=O)[n-]2)c1 ZINC001227569688 942190232 /nfs/dbraw/zinc/19/02/32/942190232.db2.gz DZXRUGBPYRJAFS-ZETCQYMHSA-N -2 3 293.279 1.440 20 0 CDADHL COc1ccc([O-])c(C(=O)Nc2cc(C(=O)[O-])n[nH]2)c1 ZINC000080671107 949013161 /nfs/dbraw/zinc/01/31/61/949013161.db2.gz FGTDSOMKJKLLFW-UHFFFAOYSA-N -2 3 277.236 1.074 20 0 CDADHL O=C([O-])c1cnc(C(=O)[N-]c2c(F)ccnc2F)cn1 ZINC001595266422 949751054 /nfs/dbraw/zinc/75/10/54/949751054.db2.gz LYXYIWJQJLUZKI-UHFFFAOYSA-N -2 3 280.190 1.100 20 0 CDADHL CCOC(=O)c1cc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)[n-]n1 ZINC001591092228 951065361 /nfs/dbraw/zinc/06/53/61/951065361.db2.gz TYZHMQYMVYVYLF-SECBINFHSA-N -2 3 297.311 1.272 20 0 CDADHL CCOC(=O)c1cc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)n[n-]1 ZINC001591092228 951065374 /nfs/dbraw/zinc/06/53/74/951065374.db2.gz TYZHMQYMVYVYLF-SECBINFHSA-N -2 3 297.311 1.272 20 0 CDADHL CC/C=C/C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000384731022 971954233 /nfs/dbraw/zinc/95/42/33/971954233.db2.gz BDUIWHWQYPEPMH-ONEGZZNKSA-N -2 3 259.283 1.222 20 0 CDADHL Cc1cc(=O)[n-]c(CNC(=O)c2cccc(F)c2[O-])n1 ZINC001363770705 953769388 /nfs/dbraw/zinc/76/93/88/953769388.db2.gz DZBWEBGPBOUTFQ-UHFFFAOYSA-N -2 3 277.255 1.265 20 0 CDADHL COc1cc(C(=O)[N-]c2ncccc2C(=O)[O-])on1 ZINC000704769808 954929354 /nfs/dbraw/zinc/92/93/54/954929354.db2.gz SERIQANCPMIERQ-UHFFFAOYSA-N -2 3 263.209 1.029 20 0 CDADHL Cc1nocc1S(=O)(=O)[N-]Cc1cccc(C(=O)[O-])c1 ZINC001594501808 955327051 /nfs/dbraw/zinc/32/70/51/955327051.db2.gz MWDJNJCAFLUFJI-UHFFFAOYSA-N -2 3 296.304 1.160 20 0 CDADHL COC(=O)c1ccc(-c2nc([C@H](C)C(=O)[O-])no2)[n-]1 ZINC001593875737 955666076 /nfs/dbraw/zinc/66/60/76/955666076.db2.gz FSIHJFAXJQFFGZ-YFKPBYRVSA-N -2 3 265.225 1.039 20 0 CDADHL C[C@H]1CCN(C(=O)c2ccc(O)cc2[O-])[C@H](C(=O)[O-])C1 ZINC000125482927 958564805 /nfs/dbraw/zinc/56/48/05/958564805.db2.gz JNOPNKSWFBVALT-KWQFWETISA-N -2 3 279.292 1.423 20 0 CDADHL CCC(C)(C)C[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000232963200 960305972 /nfs/dbraw/zinc/30/59/72/960305972.db2.gz DFTMXHSSEPDURQ-UHFFFAOYSA-N -2 3 292.382 1.556 20 0 CDADHL O=C([O-])Cc1cccc(NC(=O)c2cc(=O)[n-]cn2)c1 ZINC001574371058 961070800 /nfs/dbraw/zinc/07/08/00/961070800.db2.gz ITSKCVUOUZHYNA-UHFFFAOYSA-N -2 3 273.248 1.062 20 0 CDADHL Cc1nocc1S(=O)(=O)[N-]C[C@@H](CC(C)C)C(=O)[O-] ZINC001574443231 961425135 /nfs/dbraw/zinc/42/51/35/961425135.db2.gz IDGJFLRSOIDNCY-SECBINFHSA-N -2 3 290.341 1.008 20 0 CDADHL CCc1ccc([O-])c(C(=O)Nc2c[nH]nc2C(=O)[O-])c1 ZINC001573957107 961678154 /nfs/dbraw/zinc/67/81/54/961678154.db2.gz XSJRFYNIECYGNK-UHFFFAOYSA-N -2 3 275.264 1.628 20 0 CDADHL CC(C)C[C@@H](NC(=O)c1cccc2n[n-]nc21)C(=O)[O-] ZINC001588886017 962172965 /nfs/dbraw/zinc/17/29/65/962172965.db2.gz OBZHGNJMDDXTQA-SNVBAGLBSA-N -2 3 276.296 1.187 20 0 CDADHL O=C([O-])C[C@H]1CCCCN1C(=O)c1cccc(O)c1[O-] ZINC000126005727 967621594 /nfs/dbraw/zinc/62/15/94/967621594.db2.gz ILQDFXJDTVXPOJ-SECBINFHSA-N -2 3 279.292 1.567 20 0 CDADHL Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ccc([O-])cn2)n1 ZINC001469697158 970267530 /nfs/dbraw/zinc/26/75/30/970267530.db2.gz CWJWBHDLLQJBTJ-UHFFFAOYSA-N -2 3 288.307 1.256 20 0 CDADHL C[C@@H](C(=O)[O-])N(C(=O)c1cc2c(cc1[O-])OCO2)C1CC1 ZINC001609708320 970485438 /nfs/dbraw/zinc/48/54/38/970485438.db2.gz CRYFAASKRHFSEY-ZETCQYMHSA-N -2 3 293.275 1.199 20 0 CDADHL O=C([O-])CC1CC(NC(=O)c2c([O-])cccc2O)C1 ZINC000718063132 977938898 /nfs/dbraw/zinc/93/88/98/977938898.db2.gz KCHNEINEIOGBHS-UHFFFAOYSA-N -2 3 265.265 1.081 20 0 CDADHL C[C@@H](Cc1ccc(NC(=O)c2c[n-]nn2)cc1)C(=O)[O-] ZINC001592872852 979731750 /nfs/dbraw/zinc/73/17/50/979731750.db2.gz MYCDQZSLWXRGDJ-QMMMGPOBSA-N -2 3 274.280 1.320 20 0 CDADHL C[C@@H](Cc1ccc(NC(=O)c2cn[n-]n2)cc1)C(=O)[O-] ZINC001592872852 979731751 /nfs/dbraw/zinc/73/17/51/979731751.db2.gz MYCDQZSLWXRGDJ-QMMMGPOBSA-N -2 3 274.280 1.320 20 0 CDADHL CCN(C(=O)c1ccc(N)cc1[O-])C(C)(C)C(=O)[O-] ZINC001596167040 983531057 /nfs/dbraw/zinc/53/10/57/983531057.db2.gz CHSNQXPQINYCMP-UHFFFAOYSA-N -2 3 266.297 1.300 20 0 CDADHL CCOCCC1(C(=O)[N-]OCCCC(=O)[O-])CCC1 ZINC001596899441 985871590 /nfs/dbraw/zinc/87/15/90/985871590.db2.gz YUQWPTIQLHPYIA-UHFFFAOYSA-N -2 3 273.329 1.496 20 0 CDADHL CC[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001597301576 987412383 /nfs/dbraw/zinc/41/23/83/987412383.db2.gz YVXCYXHPOHDENF-SFYZADRCSA-N -2 3 273.310 1.302 20 0 CDADHL CCc1ccc(C(=O)N[C@@H](CF)C(=O)[O-])c([O-])c1 ZINC001597500619 988057601 /nfs/dbraw/zinc/05/76/01/988057601.db2.gz RWORKLQZNYPVSE-VIFPVBQESA-N -2 3 255.245 1.107 20 0 CDADHL CCc1ccc(C(=O)NCCSCCC(=O)[O-])c([O-])c1 ZINC001597501001 988062021 /nfs/dbraw/zinc/06/20/21/988062021.db2.gz JMZIFYGGHRFXOA-UHFFFAOYSA-N -2 3 297.376 1.892 20 0 CDADHL CCc1ccc(C(=O)NC/C=C(\C)C(=O)[O-])c([O-])c1 ZINC001597500980 988062106 /nfs/dbraw/zinc/06/21/06/988062106.db2.gz IDTZVBKZHRYROR-RMKNXTFCSA-N -2 3 263.293 1.715 20 0 CDADHL CO[C@]1(C(=O)[O-])CCN(Cc2c(F)ccc([O-])c2F)C1 ZINC001599079035 996951027 /nfs/dbraw/zinc/95/10/27/996951027.db2.gz KYILFNKHIFKWAR-CYBMUJFWSA-N -2 3 287.262 1.346 20 0 CDADHL COC(=O)c1cc(C(=O)Oc2cccc(C(=O)[O-])c2)c[n-]1 ZINC001598925998 997648206 /nfs/dbraw/zinc/64/82/06/997648206.db2.gz BTUSWMREGHXZTH-UHFFFAOYSA-N -2 3 289.243 1.719 20 0 CDADHL O=C([O-])c1csc(NC(=O)c2ccc3n[n-]nc3c2)c1 ZINC000191345238 342463411 /nfs/dbraw/zinc/46/34/11/342463411.db2.gz WZFLTPVQOVEYBM-UHFFFAOYSA-N -2 3 288.288 1.970 20 0 CDADHL CCc1ccc([O-])c([N-]S(=O)(=O)C2(COC)CC2)c1 ZINC000641684145 365723455 /nfs/dbraw/zinc/72/34/55/365723455.db2.gz BHEGGYPMANEFMO-UHFFFAOYSA-N -2 3 285.365 1.875 20 0 CDADHL COC(=O)c1[n-]c(=NC[C@@H](C(=O)[O-])C2CCC2)sc1C ZINC000595978491 343209630 /nfs/dbraw/zinc/20/96/30/343209630.db2.gz WAGITKQLVNPNAH-SECBINFHSA-N -2 3 298.364 1.573 20 0 CDADHL COC(=O)c1cc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)c[nH]1 ZINC000619864681 349938807 /nfs/dbraw/zinc/93/88/07/349938807.db2.gz YNCKSEDGWHXCNU-IHWYPQMZSA-N -2 3 289.247 1.166 20 0 CDADHL CC[C@](C)(NC(=O)c1ccc(OC)cc1[O-])C(=O)[O-] ZINC000094218640 346007265 /nfs/dbraw/zinc/00/72/65/346007265.db2.gz BQXMMPXYKVKKJM-ZDUSSCGKSA-N -2 3 267.281 1.384 20 0 CDADHL CSCCO[N-]C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000295126924 199359215 /nfs/dbraw/zinc/35/92/15/199359215.db2.gz JKSOFPOHRHTWHG-UHFFFAOYSA-N -2 3 284.366 1.042 20 0 CDADHL COc1cccc(C(=O)NC2(C(=O)[O-])CCCC2)c1[O-] ZINC000037329738 346358147 /nfs/dbraw/zinc/35/81/47/346358147.db2.gz HAXSHPQVKPSQMI-UHFFFAOYSA-N -2 3 279.292 1.528 20 0 CDADHL CCC[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1nnn[n-]1 ZINC000092424847 180383889 /nfs/dbraw/zinc/38/38/89/180383889.db2.gz CKGSGRQTXCQXIN-SECBINFHSA-N -2 3 295.730 1.830 20 0 CDADHL CCC[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1nn[n-]n1 ZINC000092424847 180383890 /nfs/dbraw/zinc/38/38/90/180383890.db2.gz CKGSGRQTXCQXIN-SECBINFHSA-N -2 3 295.730 1.830 20 0 CDADHL CC(C)(C)CCC[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000313208951 350821590 /nfs/dbraw/zinc/82/15/90/350821590.db2.gz LRODLTYLFDQVII-UHFFFAOYSA-N -2 3 289.357 1.213 20 0 CDADHL O=S(=O)([N-]c1cccc([O-])c1F)c1ccoc1 ZINC000335352256 360006483 /nfs/dbraw/zinc/00/64/83/360006483.db2.gz CLLOGSDPWUJEOZ-UHFFFAOYSA-N -2 3 257.242 1.925 20 0 CDADHL C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000131771330 361143277 /nfs/dbraw/zinc/14/32/77/361143277.db2.gz MENQOHJRTWIIGV-RNFRBKRXSA-N -2 3 275.351 1.381 20 0 CDADHL COc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)c([O-])c1 ZINC000313757594 361324235 /nfs/dbraw/zinc/32/42/35/361324235.db2.gz HROPGLVFJVGUKK-KOLCDFICSA-N -2 3 293.319 1.584 20 0 CDADHL O=C([N-]c1nncn1C1CC1)C(=O)c1ccc([O-])cc1 ZINC000436699990 361559860 /nfs/dbraw/zinc/55/98/60/361559860.db2.gz SOXZRHZNHDJEJV-UHFFFAOYSA-N -2 3 272.264 1.140 20 0 CDADHL Cc1ncc(CNC(=O)c2ccccc2[O-])c(=O)[n-]1 ZINC000436824774 361583658 /nfs/dbraw/zinc/58/36/58/361583658.db2.gz CRWBIIRBOZTBFT-UHFFFAOYSA-N -2 3 259.265 1.126 20 0 CDADHL CCCc1nc(=NCc2nnc(C(F)(F)F)[n-]2)s[n-]1 ZINC000360048923 368092924 /nfs/dbraw/zinc/09/29/24/368092924.db2.gz ZWIVIRUREUTFGW-UHFFFAOYSA-N -2 3 292.290 1.662 20 0 CDADHL CCCc1nc(=NCc2n[n-]c(C(F)(F)F)n2)s[n-]1 ZINC000360048923 368092929 /nfs/dbraw/zinc/09/29/29/368092929.db2.gz ZWIVIRUREUTFGW-UHFFFAOYSA-N -2 3 292.290 1.662 20 0 CDADHL CCCc1nc(=NCc2nc(C(F)(F)F)n[n-]2)s[n-]1 ZINC000360048923 368092934 /nfs/dbraw/zinc/09/29/34/368092934.db2.gz ZWIVIRUREUTFGW-UHFFFAOYSA-N -2 3 292.290 1.662 20 0 CDADHL CCc1ccc([O-])c(C(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000263571028 368489910 /nfs/dbraw/zinc/48/99/10/368489910.db2.gz IWMQAQKWSMFUFC-SNVBAGLBSA-N -2 3 263.293 1.501 20 0 CDADHL Cc1ccsc1S(=O)(=O)[N-][C@H](CC(F)F)C(=O)[O-] ZINC000548201839 369784824 /nfs/dbraw/zinc/78/48/24/369784824.db2.gz VMZNJMMNSGRHOW-ZCFIWIBFSA-N -2 3 299.320 1.443 20 0 CDADHL COCCCS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1F ZINC000311787433 371055706 /nfs/dbraw/zinc/05/57/06/371055706.db2.gz IUTPORLZTAJSIT-UHFFFAOYSA-N -2 3 291.300 1.302 20 0 CDADHL C[C@H]1CCN(C(=O)c2ccc3n[n-]nc3c2)[C@H](C(=O)[O-])C1 ZINC000125249156 391250151 /nfs/dbraw/zinc/25/01/51/391250151.db2.gz ZOENBFDLVVIQPP-UFBFGSQYSA-N -2 3 288.307 1.283 20 0 CDADHL C[C@@H]1SCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000646060230 391958157 /nfs/dbraw/zinc/95/81/57/391958157.db2.gz HWVXAOUYVSVRJL-XPUUQOCRSA-N -2 3 291.350 1.150 20 0 CDADHL CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000645955976 393431443 /nfs/dbraw/zinc/43/14/43/393431443.db2.gz PSYGOIREGHWCGI-SFYZADRCSA-N -2 3 289.353 1.999 20 0 CDADHL C[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C1CCC1 ZINC000645971435 393441047 /nfs/dbraw/zinc/44/10/47/393441047.db2.gz WYAJQTJCIAMPEI-ZCFIWIBFSA-N -2 3 290.366 1.308 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@H](CCF)C(=O)[O-])s1 ZINC000656162428 413065652 /nfs/dbraw/zinc/06/56/52/413065652.db2.gz FWJSDOLPACUYSD-SSDOTTSWSA-N -2 3 281.330 1.148 20 0 CDADHL C[C@@]1(C(=O)[O-])CCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000263221545 149123699 /nfs/dbraw/zinc/12/36/99/149123699.db2.gz KSRZXPQQNJENDL-CQSZACIVSA-N -2 3 296.298 1.538 20 0 CDADHL COc1cccc(SCC(=O)N=c2ccc([O-])n[n-]2)c1 ZINC000361952246 159023773 /nfs/dbraw/zinc/02/37/73/159023773.db2.gz PEXCIJPEVHBSQH-UHFFFAOYSA-N -2 3 291.332 1.344 20 0 CDADHL CC[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)C(=O)[O-] ZINC000035409612 172180546 /nfs/dbraw/zinc/18/05/46/172180546.db2.gz CXEBAFBCPNFQHV-SNVBAGLBSA-N -2 3 274.276 1.121 20 0 CDADHL O=C([O-])C1([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000517759432 260241215 /nfs/dbraw/zinc/24/12/15/260241215.db2.gz WPIJDRDOORQADY-UHFFFAOYSA-N -2 3 293.703 1.375 20 0 CDADHL O=C([O-])[C@H](CC1CCC1)[N-]S(=O)(=O)c1cccs1 ZINC000562311799 293133159 /nfs/dbraw/zinc/13/31/59/293133159.db2.gz MJZZFABALLCYBH-VIFPVBQESA-N -2 3 289.378 1.670 20 0 CDADHL C[C@H]1CCN(C(=O)c2ccc3n[n-]nc3c2)C[C@H]1C(=O)[O-] ZINC000569122451 294162584 /nfs/dbraw/zinc/16/25/84/294162584.db2.gz MSPDLCUTDUUHFA-WCBMZHEXSA-N -2 3 288.307 1.141 20 0 CDADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C ZINC000136248251 302844209 /nfs/dbraw/zinc/84/42/09/302844209.db2.gz UCXSUUSORCQIIU-VIFPVBQESA-N -2 3 290.341 1.069 20 0 CDADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C1CC1 ZINC000054504966 527655866 /nfs/dbraw/zinc/65/58/66/527655866.db2.gz BNVLOVNDFNBVIT-QMMMGPOBSA-N -2 3 295.769 1.543 20 0 CDADHL CC[C@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000087497732 538173303 /nfs/dbraw/zinc/17/33/03/538173303.db2.gz WIZPHOKCRNDMAT-ZCFIWIBFSA-N -2 3 297.785 1.791 20 0 CDADHL Cc1ccc(CC(=O)[N-]OCC2(C(=O)[O-])CC2)cc1 ZINC001600400225 1174463030 /nfs/dbraw/zinc/46/30/30/1174463030.db2.gz ZHVXXXZFLVQASV-UHFFFAOYSA-N -2 3 263.293 1.450 20 0 CDADHL COc1ccc(NC(=O)c2ncccc2[O-])c([O-])c1 ZINC000135427818 538882997 /nfs/dbraw/zinc/88/29/97/538882997.db2.gz MBOCQJHHHZIDNN-UHFFFAOYSA-N -2 3 260.249 1.754 20 0 CDADHL O=C([O-])[C@H]1CSCCN(C(=O)c2ccccc2[O-])C1 ZINC001601856735 1175037894 /nfs/dbraw/zinc/03/78/94/1175037894.db2.gz SNOBLNIHMMBKAU-SECBINFHSA-N -2 3 281.333 1.282 20 0 CDADHL O=C([O-])CC[C@@H]1CC[C@H](C(=O)Nc2cc(F)ccc2[O-])O1 ZINC001602035868 1175114823 /nfs/dbraw/zinc/11/48/23/1175114823.db2.gz AHNLIYGDIJVSAP-JOYOIKCWSA-N -2 3 297.282 1.882 20 0 CDADHL O=C([O-])C[C@H]1CCCN(C(=O)c2c([O-])cccc2O)C1 ZINC000232429139 598153410 /nfs/dbraw/zinc/15/34/10/598153410.db2.gz USLZZYCEJNCBPP-SECBINFHSA-N -2 3 279.292 1.425 20 0 CDADHL CCc1cccc(C(=O)N(C)C[C@@H](C)C(=O)[O-])c1[O-] ZINC000830259884 601387967 /nfs/dbraw/zinc/38/79/67/601387967.db2.gz IQLSQOLCEDVMGZ-SECBINFHSA-N -2 3 265.309 1.747 20 0 CDADHL CC(C)(CC(=O)[O-])NC(=O)c1cc2c(cc1[O-])OCO2 ZINC000833455868 604714804 /nfs/dbraw/zinc/71/48/04/604714804.db2.gz BMMXDRFMWCESOS-UHFFFAOYSA-N -2 3 281.264 1.104 20 0 CDADHL O=C([O-])c1ccc(CC(=O)[N-]OC[C@H]2CCOC2)cc1 ZINC000911801492 629530151 /nfs/dbraw/zinc/53/01/51/629530151.db2.gz BEFCOIIHKUKMFY-NSHDSACASA-N -2 3 279.292 1.012 20 0 CDADHL O=C([O-])CCCCC(=O)[N-]OCc1cccnc1 ZINC000911807722 629539336 /nfs/dbraw/zinc/53/93/36/629539336.db2.gz XXMCJJUHQHGLHL-UHFFFAOYSA-N -2 3 252.270 1.274 20 0 CDADHL CCC[C@@H](CNc1cccc(-c2nnn[n-]2)n1)C(=O)[O-] ZINC001604144310 1163104911 /nfs/dbraw/zinc/10/49/11/1163104911.db2.gz PIRKIGWIPUPINZ-QMMMGPOBSA-N -2 3 276.300 1.175 20 0 CDADHL CCON(C(=O)c1ccc(-c2nn[n-]n2)c([O-])c1)C(C)C ZINC001604437603 1163187662 /nfs/dbraw/zinc/18/76/62/1163187662.db2.gz ZEKCJCONJHXRID-UHFFFAOYSA-N -2 3 291.311 1.374 20 0 CDADHL O=C([O-])CC1(Nc2ncccc2-c2nn[n-]n2)CCC1 ZINC001606961430 1164038172 /nfs/dbraw/zinc/03/81/72/1164038172.db2.gz QZVVQQZRCMSHHC-UHFFFAOYSA-N -2 3 274.284 1.071 20 0 CDADHL O=C([O-])CC1(Nc2ncccc2-c2nnn[n-]2)CCC1 ZINC001606961430 1164038165 /nfs/dbraw/zinc/03/81/65/1164038165.db2.gz QZVVQQZRCMSHHC-UHFFFAOYSA-N -2 3 274.284 1.071 20 0 CDADHL Cc1ccc(S(=O)(=O)[N-][C@@](C)(CC(=O)[O-])C2CC2)o1 ZINC001607819686 1164305857 /nfs/dbraw/zinc/30/58/57/1164305857.db2.gz VYRCWLMWQRSIKB-LBPRGKRZSA-N -2 3 287.337 1.510 20 0 CDADHL O=C([O-])[C@@]1(C(=O)Nc2ncccc2[O-])C[C@@H]1c1ccccc1 ZINC001608567425 1164550066 /nfs/dbraw/zinc/55/00/66/1164550066.db2.gz UXNOEIMVKVFNRP-BZNIZROVSA-N -2 3 298.298 1.984 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C1(C2CC2)CCC1 ZINC001608956093 1164696436 /nfs/dbraw/zinc/69/64/36/1164696436.db2.gz DSNHCYMOWANPTK-UHFFFAOYSA-N -2 3 285.321 1.589 20 0 CDADHL C/C(=C/COC(=O)c1cc(F)cc2n[n-]nc21)C(=O)[O-] ZINC001609535121 1164983740 /nfs/dbraw/zinc/98/37/40/1164983740.db2.gz DIBDEEVGNZKQBB-KXFIGUGUSA-N -2 3 279.227 1.285 20 0 CDADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3C[C@@H]32)cc1C(=O)[O-] ZINC001610586853 1165368246 /nfs/dbraw/zinc/36/82/46/1165368246.db2.gz PYROHOBLQYVBMG-DVVUODLYSA-N -2 3 299.348 1.753 20 0 CDADHL O=C(Nc1c[n-][nH]c1=O)c1n[n-]c2ccccc2c1=O ZINC001611379019 1165490677 /nfs/dbraw/zinc/49/06/77/1165490677.db2.gz CCBJRRIQBCLOAS-UHFFFAOYSA-N -2 3 271.236 1.016 20 0 CDADHL CN(Cc1nc(=O)o[n-]1)C(=O)c1cc([O-])c2ccccc2c1 ZINC001643705742 1167262659 /nfs/dbraw/zinc/26/26/59/1167262659.db2.gz OFXIOGSXBZBIMJ-UHFFFAOYSA-N -2 3 299.286 1.494 20 0 CDADHL O=C([O-])c1c[nH]c(NC(=O)c2[n-]cnc2C(F)(F)F)n1 ZINC001574418362 1170976186 /nfs/dbraw/zinc/97/61/86/1170976186.db2.gz VHIQHANRXMLDCX-UHFFFAOYSA-N -2 3 289.173 1.102 20 0 CDADHL O=C([O-])c1c[nH]c(NC(=O)c2nc[n-]c2C(F)(F)F)n1 ZINC001574418362 1170976194 /nfs/dbraw/zinc/97/61/94/1170976194.db2.gz VHIQHANRXMLDCX-UHFFFAOYSA-N -2 3 289.173 1.102 20 0 CDADHL C[C@@H](CNc1ccc(F)cc1-c1nnn[n-]1)C(=O)[O-] ZINC001589877126 1173193058 /nfs/dbraw/zinc/19/30/58/1173193058.db2.gz MGJUBOLJFBQWMX-LURJTMIESA-N -2 3 265.248 1.138 20 0 CDADHL C[C@@H](CNc1ccc(F)cc1-c1nn[n-]n1)C(=O)[O-] ZINC001589877126 1173193068 /nfs/dbraw/zinc/19/30/68/1173193068.db2.gz MGJUBOLJFBQWMX-LURJTMIESA-N -2 3 265.248 1.138 20 0 CDADHL CCc1noc(C)c1[N-]C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001590936408 1173546349 /nfs/dbraw/zinc/54/63/49/1173546349.db2.gz QUURHNXWPKXHHO-UHFFFAOYSA-N -2 3 288.267 1.571 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]C2(C3(C)CC3)CC2)cc1C(=O)[O-] ZINC001600855752 1174645347 /nfs/dbraw/zinc/64/53/47/1174645347.db2.gz YPSPDJDILTUMNN-UHFFFAOYSA-N -2 3 299.348 1.897 20 0 CDADHL O=C([O-])C1=CC[C@@H](NC(=O)c2nnc3ccccc3c2[O-])C1 ZINC001601737535 1174977174 /nfs/dbraw/zinc/97/71/74/1174977174.db2.gz KLFKQWYHCHVARX-SECBINFHSA-N -2 3 299.286 1.239 20 0 CDADHL CC(C)(C)n1cnc([N-]C(=O)c2csc(C(=O)[O-])n2)n1 ZINC001603568451 1175567614 /nfs/dbraw/zinc/56/76/14/1175567614.db2.gz UXSKPFSDALWNOM-UHFFFAOYSA-N -2 3 295.324 1.440 20 0 CDADHL C[C@H]1CCc2c(=O)n(Cc3cccc(-c4nn[n-]n4)c3)[n-]c21 ZINC001603880832 1175667788 /nfs/dbraw/zinc/66/77/88/1175667788.db2.gz HDMVUFUTKUFXFM-JOYOIKCWSA-N -2 3 296.334 1.611 20 0 CDADHL C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1cc([O-])ccc1Cl ZINC000235334743 698826980 /nfs/dbraw/zinc/82/69/80/698826980.db2.gz QXHKYHXWHHUBRO-VXNVDRBHSA-N -2 3 283.711 1.981 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)C[C@@H]1OC(=O)c2ccccc21 ZINC001608716013 1164617890 /nfs/dbraw/zinc/61/78/90/1164617890.db2.gz QRRDHQFGBZRVDI-NSHDSACASA-N -2 3 293.275 1.201 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)C[C@H]1COc2ccccc2O1 ZINC001608715723 1164617530 /nfs/dbraw/zinc/61/75/30/1164617530.db2.gz BTQHQHCWSVYVDK-JTQLQIEISA-N -2 3 295.291 1.129 20 0 CDADHL CCOC[C@H](C(=O)[O-])N(C)C(=O)c1ccc(CC)cc1[O-] ZINC001610030828 1165191801 /nfs/dbraw/zinc/19/18/01/1165191801.db2.gz NGYSXIIIYUXXBH-GFCCVEGCSA-N -2 3 295.335 1.516 20 0 CDADHL CCCO[N-]C(=O)c1c(C)[n-]c(=O)nc1SC ZINC000844086201 848572488 /nfs/dbraw/zinc/57/24/88/848572488.db2.gz WJJOLKYDNIZBLQ-UHFFFAOYSA-N -2 3 257.315 1.284 20 0 CDADHL CC(C)CN(CC(=O)[O-])C(=O)NCc1ccc([O-])c(F)c1 ZINC000780687015 848916588 /nfs/dbraw/zinc/91/65/88/848916588.db2.gz RYUFQVFVIWRRQN-UHFFFAOYSA-N -2 3 298.314 1.784 20 0 CDADHL Cc1nc(C)c(CC(=O)NCCCCCC(=O)[O-])c(=O)[n-]1 ZINC000818990609 849649803 /nfs/dbraw/zinc/64/98/03/849649803.db2.gz BMCPTELCFZNYEV-UHFFFAOYSA-N -2 3 295.339 1.103 20 0 CDADHL O=C([N-]OC1CCCCC1)C(=O)c1ccc([O-])cc1 ZINC000807289047 849953098 /nfs/dbraw/zinc/95/30/98/849953098.db2.gz HFSWKSSMYJMEKM-UHFFFAOYSA-N -2 3 263.293 1.955 20 0 CDADHL CSC[C@@H](C)C(=O)NCCCCP(=O)([O-])[O-] ZINC001183216904 918362347 /nfs/dbraw/zinc/36/23/47/918362347.db2.gz MCEMPUNYOFOFKK-MRVPVSSYSA-N -2 3 269.303 1.060 20 0 CDADHL Cc1c2[nH]cnc2ccc1NCCOP(=O)([O-])[O-] ZINC001168591286 919353100 /nfs/dbraw/zinc/35/31/00/919353100.db2.gz NEKKKWAJQUIFNT-UHFFFAOYSA-N -2 3 271.213 1.393 20 0 CDADHL CC1=C(C(=O)NCCCCP(=O)([O-])[O-])SC(C)N1 ZINC001147745744 932601338 /nfs/dbraw/zinc/60/13/38/932601338.db2.gz QPNMAZJWXJFBNA-UHFFFAOYSA-N -2 3 293.305 1.138 20 0 CDADHL CCCCS(=O)(=O)[N-]c1cc(C(=O)OC)ccc1[O-] ZINC001253848674 936159835 /nfs/dbraw/zinc/15/98/35/936159835.db2.gz AELDBICNOXTITB-UHFFFAOYSA-N -2 3 287.337 1.721 20 0 CDADHL COc1nonc1[N-]c1cc(C(=O)[O-])cc(F)c1C ZINC001210005186 940657399 /nfs/dbraw/zinc/65/73/99/940657399.db2.gz AEZYDSPCICSACL-UHFFFAOYSA-N -2 3 267.216 1.968 20 0 CDADHL CO[C@@H](COCCP(=O)([O-])[O-])c1ccccc1 ZINC001224606569 941775717 /nfs/dbraw/zinc/77/57/17/941775717.db2.gz QONPLSQVVHYJEI-NSHDSACASA-N -2 3 260.226 1.568 20 0 CDADHL Cc1cccc(OC[C@@H](C)Oc2nc(=O)[n-]c(=O)[n-]2)c1 ZINC001227570442 942191165 /nfs/dbraw/zinc/19/11/65/942191165.db2.gz KPWAWGVRNABMOE-SECBINFHSA-N -2 3 277.280 1.438 20 0 CDADHL C[C@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1cccc(F)c1 ZINC001233934045 943693236 /nfs/dbraw/zinc/69/32/36/943693236.db2.gz GJCVAQJTWSRUPL-ZETCQYMHSA-N -2 3 274.255 1.925 20 0 CDADHL O=C([O-])c1cncc(-c2cc(F)cc(-c3nnn[n-]3)c2)c1 ZINC001241802876 946478051 /nfs/dbraw/zinc/47/80/51/946478051.db2.gz RRPGIUKWZAAZKT-UHFFFAOYSA-N -2 3 285.238 1.766 20 0 CDADHL O=C([O-])c1cncc(-c2cc(F)cc(-c3nn[n-]n3)c2)c1 ZINC001241802876 946478058 /nfs/dbraw/zinc/47/80/58/946478058.db2.gz RRPGIUKWZAAZKT-UHFFFAOYSA-N -2 3 285.238 1.766 20 0 CDADHL O=C([O-])c1ccc(-c2ccc(F)c(-c3nnn[n-]3)c2)cn1 ZINC001242338087 946681815 /nfs/dbraw/zinc/68/18/15/946681815.db2.gz NFOSQZVNRNYJQW-UHFFFAOYSA-N -2 3 285.238 1.766 20 0 CDADHL O=C([O-])c1ccc(-c2ccc(F)c(-c3nn[n-]n3)c2)cn1 ZINC001242338087 946681823 /nfs/dbraw/zinc/68/18/23/946681823.db2.gz NFOSQZVNRNYJQW-UHFFFAOYSA-N -2 3 285.238 1.766 20 0 CDADHL Cc1[n-][nH]c(=O)c1NC(=O)Cc1ccc([O-])c(Cl)c1 ZINC001362659812 971502099 /nfs/dbraw/zinc/50/20/99/971502099.db2.gz VXMUBJFEVLVACE-UHFFFAOYSA-N -2 3 281.699 1.964 20 0 CDADHL O=C([O-])c1cc(NC(=O)c2cccc3n[n-]nc32)ccc1O ZINC001595209690 952358113 /nfs/dbraw/zinc/35/81/13/952358113.db2.gz SRMODPSUWPJJBD-UHFFFAOYSA-N -2 3 298.258 1.614 20 0 CDADHL CC[C@H](C)[C@H](NC(=O)c1cccc2n[n-]nc21)C(=O)[O-] ZINC001593614085 953483807 /nfs/dbraw/zinc/48/38/07/953483807.db2.gz AXVTXBLMDPOJFD-XVKPBYJWSA-N -2 3 276.296 1.187 20 0 CDADHL Cc1nc[n-]c(=O)c1CCC(=O)NCCC(C)(C)C(=O)[O-] ZINC001594467959 959518792 /nfs/dbraw/zinc/51/87/92/959518792.db2.gz LBJWHBFZGGZEKX-UHFFFAOYSA-N -2 3 295.339 1.040 20 0 CDADHL C[C@H](N=c1cc(-c2ccccc2)n2[n-]cnc2n1)C(=O)[O-] ZINC001594241851 959537645 /nfs/dbraw/zinc/53/76/45/959537645.db2.gz XOPYNZHNEUZHAR-VIFPVBQESA-N -2 3 283.291 1.098 20 0 CDADHL CCC(CC)(NC(=O)c1cccc([O-])c1F)c1nnn[n-]1 ZINC001433966271 960819617 /nfs/dbraw/zinc/81/96/17/960819617.db2.gz HISJZMJXFJUYTM-UHFFFAOYSA-N -2 3 293.302 1.490 20 0 CDADHL Cc1[n-][nH]c(=O)c1NC(=O)c1ncc2ccccc2c1[O-] ZINC001556827421 965107944 /nfs/dbraw/zinc/10/79/44/965107944.db2.gz LACVAWHHHCVSOH-UHFFFAOYSA-N -2 3 284.275 1.930 20 0 CDADHL CN(CC(=O)[O-])C(=O)c1cc([O-])cc(Br)c1 ZINC000700683770 968980828 /nfs/dbraw/zinc/98/08/28/968980828.db2.gz JYYYDNRCCFOPBW-UHFFFAOYSA-N -2 3 288.097 1.311 20 0 CDADHL Cc1cc(F)c(C(=O)NCc2nc([O-])cc(=O)[n-]2)c(F)c1 ZINC001470586351 970348442 /nfs/dbraw/zinc/34/84/42/970348442.db2.gz KZIQVJIBBBYYQF-UHFFFAOYSA-N -2 3 295.245 1.404 20 0 CDADHL O=C([O-])C1(C(=O)NCc2ncccc2[O-])CCSCC1 ZINC001605935885 972878857 /nfs/dbraw/zinc/87/88/57/972878857.db2.gz VEIYBQOEZCVJAW-UHFFFAOYSA-N -2 3 296.348 1.001 20 0 CDADHL Cc1cccc([O-])c1C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC000706563188 977354238 /nfs/dbraw/zinc/35/42/38/977354238.db2.gz TZLMOHNUESSLEG-LLVKDONJSA-N -2 3 277.320 1.931 20 0 CDADHL O=C([O-])[C@@H]1[C@H](CNC(=O)c2ccccc2[O-])C1(F)F ZINC000715246369 977705727 /nfs/dbraw/zinc/70/57/27/977705727.db2.gz LXXDCKCHPVJKHO-CBAPKCEASA-N -2 3 271.219 1.088 20 0 CDADHL C[C@H](Cc1ccc(NC(=O)c2c[n-]nn2)cc1)C(=O)[O-] ZINC001592872850 979731773 /nfs/dbraw/zinc/73/17/73/979731773.db2.gz MYCDQZSLWXRGDJ-MRVPVSSYSA-N -2 3 274.280 1.320 20 0 CDADHL C[C@H](Cc1ccc(NC(=O)c2cn[n-]n2)cc1)C(=O)[O-] ZINC001592872850 979731776 /nfs/dbraw/zinc/73/17/76/979731776.db2.gz MYCDQZSLWXRGDJ-MRVPVSSYSA-N -2 3 274.280 1.320 20 0 CDADHL CC1(C)CO[C@@H](CC(=O)[N-]OCCCC(=O)[O-])C1 ZINC001604547158 1163226817 /nfs/dbraw/zinc/22/68/17/1163226817.db2.gz JCKVDCPXZZKNKY-VIFPVBQESA-N -2 3 259.302 1.104 20 0 CDADHL C=CC(=O)Nc1ccc([O-])c(C(=O)N(CC)CC(=O)[O-])c1 ZINC001588661124 983785981 /nfs/dbraw/zinc/78/59/81/983785981.db2.gz GFPPKGRECHEQQQ-UHFFFAOYSA-N -2 3 292.291 1.063 20 0 CDADHL Cc1n[n-]cc1C(=O)O[C@@H](C(=O)[O-])C1CCCC1 ZINC001599969152 985972827 /nfs/dbraw/zinc/97/28/27/985972827.db2.gz LFOMQNISSSRGFJ-SNVBAGLBSA-N -2 3 252.270 1.518 20 0 CDADHL CCOCCO[N-]C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001596937551 986053348 /nfs/dbraw/zinc/05/33/48/986053348.db2.gz CMKUXFJLAMXZSG-UHFFFAOYSA-N -2 3 267.281 1.012 20 0 CDADHL CC(C)[C@]1(C)C[C@@H]1[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001591061314 991499619 /nfs/dbraw/zinc/49/96/19/991499619.db2.gz GPUBOYQUQMOAPO-CABZTGNLSA-N -2 3 287.337 1.691 20 0 CDADHL CC(C)CN(CCC(=O)[O-])C(=O)c1ccc(N)cc1[O-] ZINC001591332238 992310523 /nfs/dbraw/zinc/31/05/23/992310523.db2.gz NBEUFAFWBLNLES-UHFFFAOYSA-N -2 3 280.324 1.547 20 0 CDADHL COc1cccc([O-])c1C(=O)N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001599680505 994973222 /nfs/dbraw/zinc/97/32/22/994973222.db2.gz VBASITQSELKPOF-NXEZZACHSA-N -2 3 293.319 1.584 20 0 CDADHL O=C([O-])CC1(Nc2ccc(-c3nnn[n-]3)cn2)CCC1 ZINC001593275883 1174046720 /nfs/dbraw/zinc/04/67/20/1174046720.db2.gz FZQIWJBKAJWYDW-UHFFFAOYSA-N -2 3 274.284 1.071 20 0 CDADHL O=C([O-])CC1(Nc2ccc(-c3nn[n-]n3)cn2)CCC1 ZINC001593275883 1174046735 /nfs/dbraw/zinc/04/67/35/1174046735.db2.gz FZQIWJBKAJWYDW-UHFFFAOYSA-N -2 3 274.284 1.071 20 0 CDADHL O=C([O-])C1(NC(=O)c2ccccc2[O-])CCCCC1 ZINC000019432787 1171972938 /nfs/dbraw/zinc/97/29/38/1171972938.db2.gz CJMMCFJMVHTLMM-UHFFFAOYSA-N -2 3 263.293 1.910 20 0 CDADHL CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134696381 342071164 /nfs/dbraw/zinc/07/11/64/342071164.db2.gz NOZNLXGLIPTVDF-BQBZGAKWSA-N -2 3 292.382 1.554 20 0 CDADHL CC1(C)CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000094324724 342236750 /nfs/dbraw/zinc/23/67/50/342236750.db2.gz JUZNCZKVWXUNRS-VIFPVBQESA-N -2 3 287.337 1.835 20 0 CDADHL COc1ccc([C@@H]2C[C@H]2C(=O)N=c2ccc([O-])n[n-]2)cc1 ZINC000622846779 342261235 /nfs/dbraw/zinc/26/12/35/342261235.db2.gz XFVSCPRPMNPTFJ-NWDGAFQWSA-N -2 3 285.303 1.355 20 0 CDADHL COC(=O)c1cc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)c[nH]1 ZINC000619864682 349939093 /nfs/dbraw/zinc/93/90/93/349939093.db2.gz YNCKSEDGWHXCNU-NSCUHMNNSA-N -2 3 289.247 1.166 20 0 CDADHL Cc1cccc(F)c1S(=O)(=O)[N-]C[C@@H](C)C(=O)[O-] ZINC000274919510 365854657 /nfs/dbraw/zinc/85/46/57/365854657.db2.gz MPDVDOWWIDJTEG-MRVPVSSYSA-N -2 3 275.301 1.133 20 0 CDADHL O=C(Nc1ncccc1[O-])c1c[n-]c2ccccc2c1=O ZINC000046024890 348782722 /nfs/dbraw/zinc/78/27/22/348782722.db2.gz DBCXLGMIGZJXPY-UHFFFAOYSA-N -2 3 281.271 1.881 20 0 CDADHL COc1ccc(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)c([O-])c1 ZINC000111251400 186378257 /nfs/dbraw/zinc/37/82/57/186378257.db2.gz ABQKCKBTYYHFSB-LDYMZIIASA-N -2 3 279.292 1.194 20 0 CDADHL Cc1n[n-]c(=NC(=O)c2cc(C(F)F)[n-]n2)s1 ZINC000639501938 363269717 /nfs/dbraw/zinc/26/97/17/363269717.db2.gz SJMYJPVASGAJAD-UHFFFAOYSA-N -2 3 259.241 1.181 20 0 CDADHL CCC[C@@H](NC(=O)c1ccc(CC)cc1[O-])c1nnn[n-]1 ZINC000188278555 357870990 /nfs/dbraw/zinc/87/09/90/357870990.db2.gz CJXQIRYLPVTIPA-LLVKDONJSA-N -2 3 289.339 1.739 20 0 CDADHL CCC[C@@H](NC(=O)c1ccc(CC)cc1[O-])c1nn[n-]n1 ZINC000188278555 357870992 /nfs/dbraw/zinc/87/09/92/357870992.db2.gz CJXQIRYLPVTIPA-LLVKDONJSA-N -2 3 289.339 1.739 20 0 CDADHL CCc1ccc([O-])c([N-]S(=O)(=O)C[C@@H](C)OC)c1 ZINC000193120050 358267137 /nfs/dbraw/zinc/26/71/37/358267137.db2.gz LMSMFGWRAUOICQ-SECBINFHSA-N -2 3 273.354 1.731 20 0 CDADHL CCOC(=O)c1ccc(NC(=O)C(C)(C)C(=O)[O-])c([O-])c1 ZINC000592993364 358606778 /nfs/dbraw/zinc/60/67/78/358606778.db2.gz UNXDQWQTBSOPQY-UHFFFAOYSA-N -2 3 295.291 1.618 20 0 CDADHL CC(C)OCCS(=O)(=O)[N-]c1ccccc1C(=O)[O-] ZINC000093665229 358623293 /nfs/dbraw/zinc/62/32/93/358623293.db2.gz BRSAXQWDYIUDTR-UHFFFAOYSA-N -2 3 287.337 1.552 20 0 CDADHL C[C@@H](C(=O)[O-])C(=O)N1CC[C@@H](C)c2cccc([O-])c21 ZINC000263566097 359302157 /nfs/dbraw/zinc/30/21/57/359302157.db2.gz WGUYMBOWIOYYLW-RKDXNWHRSA-N -2 3 263.293 1.953 20 0 CDADHL Cc1nc(C=Cc2ccnn2C)[n-]c(=O)c1CC(=O)[O-] ZINC000347415511 359392349 /nfs/dbraw/zinc/39/23/49/359392349.db2.gz IHMVSGZEXWMBNQ-ARJAWSKDSA-N -2 3 274.280 1.022 20 0 CDADHL CC(C)OCCS(=O)(=O)[N-]c1cc([O-])c(F)cc1F ZINC000414396304 241180498 /nfs/dbraw/zinc/18/04/98/241180498.db2.gz OGEBJHAOCDZOLI-UHFFFAOYSA-N -2 3 295.307 1.837 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CC[C@@H]3C[C@@H]3C2)o1 ZINC000404047943 370436297 /nfs/dbraw/zinc/43/62/97/370436297.db2.gz IENLMERVXMWVGW-BBBLOLIVSA-N -2 3 299.348 1.692 20 0 CDADHL C[C@H](CC[N-]S(=O)(=O)c1ccccc1F)CC(=O)[O-] ZINC000275073611 371199390 /nfs/dbraw/zinc/19/93/90/371199390.db2.gz XBCNPSMTFTYKPE-SECBINFHSA-N -2 3 289.328 1.605 20 0 CDADHL C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC000130971873 375355716 /nfs/dbraw/zinc/35/57/16/375355716.db2.gz ARVNYGZHYAVXEP-IONNQARKSA-N -2 3 289.378 1.913 20 0 CDADHL COCCS(=O)(=O)[N-]c1cc(Cl)cc(C)c1[O-] ZINC000135355032 375698431 /nfs/dbraw/zinc/69/84/31/375698431.db2.gz LZJNEHYQKYSUPX-UHFFFAOYSA-N -2 3 279.745 1.742 20 0 CDADHL Cc1cnc(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)c([O-])c1 ZINC000428215767 247260784 /nfs/dbraw/zinc/26/07/84/247260784.db2.gz CQQBADGLTQUTHB-UHFFFAOYSA-N -2 3 298.249 1.105 20 0 CDADHL O=C([N-]O[C@@H]1CCCCO1)c1c(F)ccc([O-])c1F ZINC000280894024 195018863 /nfs/dbraw/zinc/01/88/63/195018863.db2.gz ZVDYMRLWOHLIRE-SECBINFHSA-N -2 3 273.235 1.858 20 0 CDADHL CC[C@H](CS(=O)(=O)[N-]c1cc(F)ccc1[O-])OC ZINC000421157198 391825274 /nfs/dbraw/zinc/82/52/74/391825274.db2.gz QDIAAAXTHPRANH-SECBINFHSA-N -2 3 277.317 1.698 20 0 CDADHL CC[C@H](C)C[C@H](NC(=O)c1ccc2n[n-]nc2c1)C(=O)[O-] ZINC000400408623 391992948 /nfs/dbraw/zinc/99/29/48/391992948.db2.gz VFTPYMDXAMPXSD-UFBFGSQYSA-N -2 3 290.323 1.577 20 0 CDADHL CN(C)c1nc(C(=O)Nc2cccc([O-])c2F)cc(=O)[n-]1 ZINC000517484777 392892907 /nfs/dbraw/zinc/89/29/07/392892907.db2.gz ZLPKYHAAOMLVDI-UHFFFAOYSA-N -2 3 292.270 1.345 20 0 CDADHL CC(C)[C@H]([N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000035219799 172061340 /nfs/dbraw/zinc/06/13/40/172061340.db2.gz OSSFXHQXIQAHCU-QMMMGPOBSA-N -2 3 292.744 1.123 20 0 CDADHL Cc1cccc(C(=O)N(C)CCCC(=O)[O-])c1[O-] ZINC000037330101 173131134 /nfs/dbraw/zinc/13/11/34/173131134.db2.gz ZEBWDYRTCPGJCY-UHFFFAOYSA-N -2 3 251.282 1.637 20 0 CDADHL COc1ccc([O-])c(C(=O)NCCCCCC(=O)[O-])c1 ZINC000037430336 173200850 /nfs/dbraw/zinc/20/08/50/173200850.db2.gz UUXLTCXCJGYUKC-UHFFFAOYSA-N -2 3 281.308 1.776 20 0 CDADHL CC[C@H](NC(=O)c1cc(SC)ccc1[O-])C(=O)[O-] ZINC000659764700 414088319 /nfs/dbraw/zinc/08/83/19/414088319.db2.gz RCGBVCHBTJKWNS-VIFPVBQESA-N -2 3 269.322 1.707 20 0 CDADHL Cc1oc(S(=O)(=O)[N-][C@]2(C)CC2(C)C)cc1C(=O)[O-] ZINC000663443422 414257356 /nfs/dbraw/zinc/25/73/56/414257356.db2.gz DFYHKDYUBURTTF-GFCCVEGCSA-N -2 3 287.337 1.753 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC=CCC2)o1 ZINC000088747581 262663503 /nfs/dbraw/zinc/66/35/03/262663503.db2.gz YFIHSEPOCWJMCK-MRVPVSSYSA-N -2 3 271.294 1.365 20 0 CDADHL Cc1cc(=O)[n-]c([C@@H](C)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)n1 ZINC000652513011 424516002 /nfs/dbraw/zinc/51/60/02/424516002.db2.gz TYOVBKZZMATZIQ-ADEWGFFLSA-N -2 3 291.351 1.594 20 0 CDADHL CC1(C)CC[C@]([N-]S(=O)(=O)c2ccco2)(C(=O)[O-])C1 ZINC000551915524 290025755 /nfs/dbraw/zinc/02/57/55/290025755.db2.gz JZQCAFYESRMRTC-GFCCVEGCSA-N -2 3 287.337 1.591 20 0 CDADHL O=C([O-])c1ccccc1CC[N-]S(=O)(=O)c1ccco1 ZINC000562310827 293132952 /nfs/dbraw/zinc/13/29/52/293132952.db2.gz HHUKIEQTPVGPQF-UHFFFAOYSA-N -2 3 295.316 1.499 20 0 CDADHL Cc1csc(S(=O)(=O)[N-]CCSCC(=O)[O-])c1 ZINC000577157131 317274852 /nfs/dbraw/zinc/27/48/52/317274852.db2.gz CIXYKCWGSWJONO-UHFFFAOYSA-N -2 3 295.407 1.153 20 0 CDADHL CCOc1nc(C(=O)[N-]c2n[n-]c(SC)n2)co1 ZINC000681251106 482769966 /nfs/dbraw/zinc/76/99/66/482769966.db2.gz FEHCFPNEPBNGEW-UHFFFAOYSA-N -2 3 269.286 1.166 20 0 CDADHL CCCn1c(=O)[n-]nc1SCc1cc(C(=O)[O-])oc1C ZINC000061593698 521614506 /nfs/dbraw/zinc/61/45/06/521614506.db2.gz CIEPEWCEUVFBJB-UHFFFAOYSA-N -2 3 297.336 1.873 20 0 CDADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC2CC2)c(F)cc1F ZINC000184898623 526355920 /nfs/dbraw/zinc/35/59/20/526355920.db2.gz JBSUAEKYTRSXJJ-UHFFFAOYSA-N -2 3 291.275 1.351 20 0 CDADHL CCC[C@H](NC(=O)c1c([O-])cccc1Cl)c1nnn[n-]1 ZINC000769957790 575403108 /nfs/dbraw/zinc/40/31/08/575403108.db2.gz KCTZCOQVXGHYAM-QMMMGPOBSA-N -2 3 295.730 1.830 20 0 CDADHL CCC[C@H](NC(=O)c1c([O-])cccc1Cl)c1nn[n-]n1 ZINC000769957790 575403111 /nfs/dbraw/zinc/40/31/11/575403111.db2.gz KCTZCOQVXGHYAM-QMMMGPOBSA-N -2 3 295.730 1.830 20 0 CDADHL CC(C)(CC(=O)[O-])NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000736311169 575619194 /nfs/dbraw/zinc/61/91/94/575619194.db2.gz KSYWBCJQYXAUDC-FLIBITNWSA-N -2 3 288.303 1.140 20 0 CDADHL CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000736317246 575621203 /nfs/dbraw/zinc/62/12/03/575621203.db2.gz PBAKGZUVILXBMP-UHFFFAOYSA-N -2 3 292.744 1.267 20 0 CDADHL CC(C)[C@H](NC(=O)[O-])C(=O)Nc1ccccc1[O-] ZINC000736381391 575645356 /nfs/dbraw/zinc/64/53/56/575645356.db2.gz KXIKUZJGVZTILI-JTQLQIEISA-N -2 3 252.270 1.623 20 0 CDADHL Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cncc([O-])c1 ZINC000737293582 575935462 /nfs/dbraw/zinc/93/54/62/575935462.db2.gz FUOBYPSYGWPAMQ-UHFFFAOYSA-N -2 3 296.290 1.528 20 0 CDADHL Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cncc([O-])c1 ZINC000737293582 575935465 /nfs/dbraw/zinc/93/54/65/575935465.db2.gz FUOBYPSYGWPAMQ-UHFFFAOYSA-N -2 3 296.290 1.528 20 0 CDADHL COc1ccc(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)c([O-])c1 ZINC000737923052 575938973 /nfs/dbraw/zinc/93/89/73/575938973.db2.gz QFCMXOMOVBQPKL-VIFPVBQESA-N -2 3 294.307 1.273 20 0 CDADHL O=C([O-])CCN(CC(=O)[O-])Cc1cccc(F)c1F ZINC000833231969 600861746 /nfs/dbraw/zinc/86/17/46/600861746.db2.gz HFBKJQAKQKAENI-UHFFFAOYSA-N -2 3 273.235 1.326 20 0 CDADHL Cc1nc(C)c(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)o1 ZINC000832994592 600962937 /nfs/dbraw/zinc/96/29/37/600962937.db2.gz OUFBUQJNVFYIHN-UHFFFAOYSA-N -2 3 296.308 1.412 20 0 CDADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]CC(F)F)c1 ZINC000833297481 601388898 /nfs/dbraw/zinc/38/88/98/601388898.db2.gz ORENCWUFSHNLCC-UHFFFAOYSA-N -2 3 299.682 1.582 20 0 CDADHL Cc1cc(=O)[n-]c(CN2Cc3ccccc3C[C@H]2C(=O)[O-])n1 ZINC000832898766 602310919 /nfs/dbraw/zinc/31/09/19/602310919.db2.gz BVMJVDXDTCOXGS-ZDUSSCGKSA-N -2 3 299.330 1.502 20 0 CDADHL O=C([O-])NCCCC(=O)[N-]OCc1ccccc1 ZINC000148304865 620476514 /nfs/dbraw/zinc/47/65/14/620476514.db2.gz GNYNGQQKQHPYPD-UHFFFAOYSA-N -2 3 252.270 1.282 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000903549764 626022664 /nfs/dbraw/zinc/02/26/64/626022664.db2.gz RIPAIXNAQWTXCY-QXFUBDJGSA-N -2 3 285.321 1.445 20 0 CDADHL O=C([N-]OC/C=C/Cl)c1cnc(C2CC2)[n-]c1=O ZINC000908315055 628119006 /nfs/dbraw/zinc/11/90/06/628119006.db2.gz YCINMFQQKGHVJB-DAFODLJHSA-N -2 3 269.688 1.474 20 0 CDADHL Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1ncccc1[O-] ZINC001606169235 1163797368 /nfs/dbraw/zinc/79/73/68/1163797368.db2.gz GZUDARBSFSQFJF-UHFFFAOYSA-N -2 3 286.251 1.121 20 0 CDADHL Cc1[nH]nc(S(=O)(=O)[N-]C2(C3(C)CC3)CC2)c1C(=O)[O-] ZINC001607940271 1164346976 /nfs/dbraw/zinc/34/69/76/1164346976.db2.gz OFWPRKJWMKVYOY-UHFFFAOYSA-N -2 3 299.352 1.027 20 0 CDADHL O=C([O-])C12CC(C(=O)Nc3n[n-]c(-c4ccco4)n3)(C1)C2 ZINC001608581790 1164555768 /nfs/dbraw/zinc/55/57/68/1164555768.db2.gz CKCTXBNUWJHFBG-UHFFFAOYSA-N -2 3 288.263 1.258 20 0 CDADHL O=C([O-])CCCNc1ccc(F)cc1-c1nnn[n-]1 ZINC001609572249 1164991827 /nfs/dbraw/zinc/99/18/27/1164991827.db2.gz NFVWWZIDDQGOEL-UHFFFAOYSA-N -2 3 265.248 1.283 20 0 CDADHL O=C([O-])CCCNc1ccc(F)cc1-c1nn[n-]n1 ZINC001609572249 1164991832 /nfs/dbraw/zinc/99/18/32/1164991832.db2.gz NFVWWZIDDQGOEL-UHFFFAOYSA-N -2 3 265.248 1.283 20 0 CDADHL CCO[N-]C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC001590818726 1173523026 /nfs/dbraw/zinc/52/30/26/1173523026.db2.gz IWDHPVOBDHMJDT-UHFFFAOYSA-N -2 3 293.352 1.168 20 0 CDADHL Cc1nc2c(c(=O)[n-]1)CN(Cc1csc(C(=O)[O-])c1)C2 ZINC001600718356 1174579528 /nfs/dbraw/zinc/57/95/28/1174579528.db2.gz OGFDAFFQSUZSMA-UHFFFAOYSA-N -2 3 291.332 1.766 20 0 CDADHL O=C([O-])CCN(CC(=O)[O-])Cc1c(F)ccc([O-])c1F ZINC001602004608 1175108536 /nfs/dbraw/zinc/10/85/36/1175108536.db2.gz HTRZMQILSJIFCD-UHFFFAOYSA-N -3 3 289.234 1.032 20 0 CDADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H]1CC12CCC2 ZINC001602487972 1175261536 /nfs/dbraw/zinc/26/15/36/1175261536.db2.gz AEQXFEFGBQAGCA-MRVPVSSYSA-N -2 3 271.294 1.199 20 0 CDADHL C[C@@H](/C=C/C(=O)[O-])NC(=O)c1cc([O-])ccc1Cl ZINC001604059652 1175738540 /nfs/dbraw/zinc/73/85/40/1175738540.db2.gz NMIWRRKVSOWNKM-KNQJERJVSA-N -2 3 269.684 1.805 20 0 CDADHL CCCCC[C@H]([N-]S(=O)(=O)c1cscn1)C(=O)[O-] ZINC001609966451 1165167758 /nfs/dbraw/zinc/16/77/58/1165167758.db2.gz CCOWSVUWCFLRBM-QMMMGPOBSA-N -2 3 292.382 1.455 20 0 CDADHL CCc1ccc(C(=O)NCCCC(=O)[O-])c([O-])c1 ZINC001610060565 1165199149 /nfs/dbraw/zinc/19/91/49/1165199149.db2.gz WFRMRYRXDKSTJJ-UHFFFAOYSA-N -2 3 251.282 1.549 20 0 CDADHL Cc1cc(C(=O)NCCCCP(=O)([O-])[O-])c(C)[nH]1 ZINC001189004884 921253502 /nfs/dbraw/zinc/25/35/02/921253502.db2.gz XKGSPVUMECVWLM-UHFFFAOYSA-N -2 3 274.257 1.319 20 0 CDADHL O=C(NCCCc1c[n-][nH]c1=O)c1cccc([S-])c1 ZINC001186156795 919909171 /nfs/dbraw/zinc/90/91/71/919909171.db2.gz QVTZIPUKQUMQMK-SNVBAGLBSA-N -2 3 277.349 1.217 20 0 CDADHL Cc1nc(NC(=O)c2ccc([O-])c(F)c2)cc(=O)[n-]1 ZINC001186202199 919921739 /nfs/dbraw/zinc/92/17/39/919921739.db2.gz LTQVFDYRYIGFMU-UHFFFAOYSA-N -2 3 263.228 1.588 20 0 CDADHL O=C(NCCP(=O)([O-])[O-])Nc1ccc(F)c(Cl)c1 ZINC001187706784 920617007 /nfs/dbraw/zinc/61/70/07/920617007.db2.gz LGVDITMGWZVUGW-UHFFFAOYSA-N -2 3 296.622 1.778 20 0 CDADHL Cc1c(C(=O)NCCCCP(=O)([O-])[O-])ccn1C ZINC001191848736 922798941 /nfs/dbraw/zinc/79/89/41/922798941.db2.gz GPUAYYDLFBCFLS-UHFFFAOYSA-N -2 3 274.257 1.021 20 0 CDADHL Cc1nc(NC(=O)c2cc(F)c([O-])cc2F)cc(=O)[n-]1 ZINC001192853871 923302989 /nfs/dbraw/zinc/30/29/89/923302989.db2.gz WPEKZVAIGOKJPM-UHFFFAOYSA-N -2 3 281.218 1.727 20 0 CDADHL Cc1nonc1[N-]C(=O)c1c([O-])c(F)c(F)c(F)c1F ZINC001195279336 924520277 /nfs/dbraw/zinc/52/02/77/924520277.db2.gz PXSXOVCMINNXBU-UHFFFAOYSA-N -2 3 291.160 1.892 20 0 CDADHL O=C(Nc1ccc(F)c(F)c1[O-])c1cnncc1[O-] ZINC001161073592 938868512 /nfs/dbraw/zinc/86/85/12/938868512.db2.gz JKYPJQZZIDUYQI-UHFFFAOYSA-N -2 3 267.191 1.418 20 0 CDADHL O=C([O-])C=Cc1ccccc1NCCCc1c[n-][nH]c1=O ZINC001164382219 939468570 /nfs/dbraw/zinc/46/85/70/939468570.db2.gz MINMLWMRRSYOLG-GUOLPTJISA-N -2 3 287.319 1.708 20 0 CDADHL NC(=O)c1ccc(Nc2ccc(C(=O)[O-])nc2)cc1[O-] ZINC001210176473 940669258 /nfs/dbraw/zinc/66/92/58/940669258.db2.gz BYYDXIDFTSADNC-UHFFFAOYSA-N -2 3 273.248 1.328 20 0 CDADHL Nc1ccc(N)c(S(=O)(=O)[N-]c2ccc(F)c([O-])c2)c1 ZINC001211221384 940740105 /nfs/dbraw/zinc/74/01/05/940740105.db2.gz XFJUFSFMRZZTES-UHFFFAOYSA-N -2 3 297.311 1.497 20 0 CDADHL COC(=O)[C@@H]1CC[C@H](Oc2nc3ncnc-3c([S-])[n-]2)C1 ZINC001226785146 942070870 /nfs/dbraw/zinc/07/08/70/942070870.db2.gz KGNMOJNFYUMNOK-RQJHMYQMSA-N -2 3 294.336 1.362 20 0 CDADHL C[C@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1cccnc1Cl ZINC001233934333 943693555 /nfs/dbraw/zinc/69/35/55/943693555.db2.gz JJRADVZDGUKTPB-LURJTMIESA-N -2 3 291.698 1.835 20 0 CDADHL O=c1nc2cn[n-]c2c(O[C@H]2CCc3ccccc32)[n-]1 ZINC001233934370 943694079 /nfs/dbraw/zinc/69/40/79/943694079.db2.gz KOLBVQIOYHNRJV-NSHDSACASA-N -2 3 268.276 1.713 20 0 CDADHL O=c1nc2cn[n-]c2c(O[C@H]2COCc3ccccc32)[n-]1 ZINC001233940378 943697243 /nfs/dbraw/zinc/69/72/43/943697243.db2.gz VXEVILDYTVUAIT-NSHDSACASA-N -2 3 284.275 1.297 20 0 CDADHL O=C([O-])CCCCOC(=O)Cc1ccc([O-])c(F)c1 ZINC001601988791 971116587 /nfs/dbraw/zinc/11/65/87/971116587.db2.gz GCYYDMJSXGUEIR-UHFFFAOYSA-N -2 3 270.256 1.872 20 0 CDADHL Cn1cnc(S(=O)(=O)[N-]c2ccc(F)c([O-])c2)c1 ZINC001258998504 945460430 /nfs/dbraw/zinc/46/04/30/945460430.db2.gz BAIRDUBNQQDQCW-UHFFFAOYSA-N -2 3 271.273 1.066 20 0 CDADHL COc1ccc(-c2nnn[n-]2)cc1-c1ccc(C(=O)[O-])nc1 ZINC001242337049 946681729 /nfs/dbraw/zinc/68/17/29/946681729.db2.gz WGVLIRQERMOXKN-UHFFFAOYSA-N -2 3 297.274 1.636 20 0 CDADHL COc1ccc(-c2nn[n-]n2)cc1-c1ccc(C(=O)[O-])nc1 ZINC001242337049 946681731 /nfs/dbraw/zinc/68/17/31/946681731.db2.gz WGVLIRQERMOXKN-UHFFFAOYSA-N -2 3 297.274 1.636 20 0 CDADHL O=P([O-])([O-])CCNC(=S)Nc1c(F)cccc1F ZINC001247104598 948589708 /nfs/dbraw/zinc/58/97/08/948589708.db2.gz OHCRMZPZWHRIMU-UHFFFAOYSA-N -2 3 296.235 1.429 20 0 CDADHL O=C([O-])CC1(C(=O)[N-]OCC2CCC2)CCOCC1 ZINC001594976804 950927846 /nfs/dbraw/zinc/92/78/46/950927846.db2.gz PPAVZAXXUMVCHQ-UHFFFAOYSA-N -2 3 271.313 1.106 20 0 CDADHL O=C([O-])CCCC(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001595028938 951362455 /nfs/dbraw/zinc/36/24/55/951362455.db2.gz MFSUSIOVVMGUDY-UHFFFAOYSA-N -2 3 263.253 1.462 20 0 CDADHL CCc1ccc(C(=O)N(CC(=O)[O-])C(C)C)c([O-])c1 ZINC001593635208 953606077 /nfs/dbraw/zinc/60/60/77/953606077.db2.gz GMSAGTHYWMHSDY-UHFFFAOYSA-N -2 3 265.309 1.890 20 0 CDADHL Cc1cccc([O-])c1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000706594554 954953536 /nfs/dbraw/zinc/95/35/36/954953536.db2.gz HHPKXDVJQMWNHO-ZJUUUORDSA-N -2 3 263.293 1.684 20 0 CDADHL O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1cc(=O)[n-]cn1 ZINC001594962844 955027459 /nfs/dbraw/zinc/02/74/59/955027459.db2.gz JGAFCDNEKAIBPV-ZDUSSCGKSA-N -2 3 299.286 1.006 20 0 CDADHL Cn1nc(C(=O)[O-])cc1C(=O)Nc1cccc([O-])c1F ZINC001594570617 955874668 /nfs/dbraw/zinc/87/46/68/955874668.db2.gz ZHMCOBJXDCUWMT-UHFFFAOYSA-N -2 3 279.227 1.215 20 0 CDADHL O=C(Nc1c[n-][nH]c1=O)c1ccc2ccc(O)cc2c1[O-] ZINC001306848113 956338343 /nfs/dbraw/zinc/33/83/43/956338343.db2.gz KVZQMEHWOUJDHQ-UHFFFAOYSA-N -2 3 285.259 1.932 20 0 CDADHL Cc1nc(N(C)Cc2ccc(C(=O)[O-])cc2)cc(=O)[n-]1 ZINC000163092661 959224869 /nfs/dbraw/zinc/22/48/69/959224869.db2.gz SNJUGSHHPPDMMZ-UHFFFAOYSA-N -2 3 273.292 1.825 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCSC2)o1 ZINC000228550958 960024989 /nfs/dbraw/zinc/02/49/89/960024989.db2.gz XAVKJLYZQFWCFG-SSDOTTSWSA-N -2 3 291.350 1.009 20 0 CDADHL O=C([O-])[C@]12CCC[C@H]1N(C(=O)c1ccc(O)cc1[O-])CC2 ZINC001571041667 960589900 /nfs/dbraw/zinc/58/99/00/960589900.db2.gz WXWXPCVWWSFIKE-DOMZBBRYSA-N -2 3 291.303 1.567 20 0 CDADHL CCC[C@H](NC(=O)c1cc(Cl)ccc1[O-])c1nnn[n-]1 ZINC001433759964 960593145 /nfs/dbraw/zinc/59/31/45/960593145.db2.gz JAZATIRKSMYKEH-VIFPVBQESA-N -2 3 295.730 1.830 20 0 CDADHL CCC[C@H](NC(=O)c1cc(Cl)ccc1[O-])c1nn[n-]n1 ZINC001433759964 960593153 /nfs/dbraw/zinc/59/31/53/960593153.db2.gz JAZATIRKSMYKEH-VIFPVBQESA-N -2 3 295.730 1.830 20 0 CDADHL O=C([O-])C1(NC(=O)c2cc(=O)[n-]cn2)CCCCCC1 ZINC001574552738 961979226 /nfs/dbraw/zinc/97/92/26/961979226.db2.gz QTRHETCZIMRBAZ-UHFFFAOYSA-N -2 3 279.296 1.090 20 0 CDADHL CC(C)[C@@H](CNC(=O)c1c([O-])cccc1O)C(=O)[O-] ZINC000232429521 967741643 /nfs/dbraw/zinc/74/16/43/967741643.db2.gz QVGOFMVAIOYHHC-MRVPVSSYSA-N -2 3 267.281 1.184 20 0 CDADHL CC[C@H](C)CNC(=S)NCCCCP(=O)([O-])[O-] ZINC001200273147 967794674 /nfs/dbraw/zinc/79/46/74/967794674.db2.gz FGLGUXPIOUESBQ-VIFPVBQESA-N -2 3 282.346 1.455 20 0 CDADHL CCCCOc1ccc(C(=O)N[C@H](C)C(=O)[O-])c([O-])c1 ZINC001574494392 983251859 /nfs/dbraw/zinc/25/18/59/983251859.db2.gz IXPIQYPCESOVBF-SECBINFHSA-N -2 3 281.308 1.774 20 0 CDADHL CCc1ccc(C(=O)NC2CC(CC(=O)[O-])C2)c([O-])c1 ZINC001597500095 988053987 /nfs/dbraw/zinc/05/39/87/988053987.db2.gz FNAUZZFXSNNLOH-UHFFFAOYSA-N -2 3 277.320 1.938 20 0 CDADHL CC[C@H](C)[C@H](OC(=O)c1cccc2nn[n-]c21)C(=O)[O-] ZINC001604943405 1163391393 /nfs/dbraw/zinc/39/13/93/1163391393.db2.gz JOHNJCJYLKPHCR-CPCISQLKSA-N -2 3 277.280 1.614 20 0 CDADHL CC[C@H](C)[C@H](OC(=O)c1cccc2n[n-]nc21)C(=O)[O-] ZINC001604943405 1163391400 /nfs/dbraw/zinc/39/14/00/1163391400.db2.gz JOHNJCJYLKPHCR-CPCISQLKSA-N -2 3 277.280 1.614 20 0 CDADHL CCOC(=O)c1cnc(NC(=O)c2ccc(C)cc2[O-])[n-]1 ZINC000585681491 342453209 /nfs/dbraw/zinc/45/32/09/342453209.db2.gz FZGPNNQBRCAULO-UHFFFAOYSA-N -2 3 289.291 1.853 20 0 CDADHL CCOC(=O)c1c[n-]c(NC(=O)c2ccc(C)cc2[O-])n1 ZINC000585681491 342453210 /nfs/dbraw/zinc/45/32/10/342453210.db2.gz FZGPNNQBRCAULO-UHFFFAOYSA-N -2 3 289.291 1.853 20 0 CDADHL COc1ccc([O-])c(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)c1 ZINC000035389890 539138601 /nfs/dbraw/zinc/13/86/01/539138601.db2.gz IAPZSYIVJKXNND-LLVKDONJSA-N -2 3 281.308 1.630 20 0 CDADHL CCn1cc(S(=O)(=O)[N-]c2cccc([O-])c2F)nc1C ZINC000536611475 282331640 /nfs/dbraw/zinc/33/16/40/282331640.db2.gz XYHPTCGTXDLMSU-UHFFFAOYSA-N -2 3 299.327 1.857 20 0 CDADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccccc2)c[n-]1 ZINC000618906602 345449297 /nfs/dbraw/zinc/44/92/97/345449297.db2.gz POQDLALONAEALX-UHFFFAOYSA-N -2 3 295.320 1.387 20 0 CDADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2ccccc2)[n-]1 ZINC000618906602 345449302 /nfs/dbraw/zinc/44/93/02/345449302.db2.gz POQDLALONAEALX-UHFFFAOYSA-N -2 3 295.320 1.387 20 0 CDADHL COC(=O)c1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)o1 ZINC000619864672 349938688 /nfs/dbraw/zinc/93/86/88/349938688.db2.gz UWUMMWULMVKRFF-HWKANZROSA-N -2 3 290.231 1.430 20 0 CDADHL Cc1cccc(C(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])c1[O-] ZINC000085321371 179014926 /nfs/dbraw/zinc/01/49/26/179014926.db2.gz VSBGSELGNMAVAK-MWLCHTKSSA-N -2 3 263.293 1.684 20 0 CDADHL C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000274943914 365864126 /nfs/dbraw/zinc/86/41/26/365864126.db2.gz FMCGOTRLLNFBCM-ZETCQYMHSA-N -2 3 292.744 1.267 20 0 CDADHL COc1ccsc1S(=O)(=O)[N-]CCCCC(=O)[O-] ZINC000274982759 365878754 /nfs/dbraw/zinc/87/87/54/365878754.db2.gz YAIBGKVUPISJNJ-UHFFFAOYSA-N -2 3 293.366 1.290 20 0 CDADHL CCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)nc1)C(=O)[O-] ZINC000275116393 365926581 /nfs/dbraw/zinc/92/65/81/365926581.db2.gz SOWIYBOHJACKRP-QMMMGPOBSA-N -2 3 292.744 1.267 20 0 CDADHL CCC[C@H](NC(=O)c1cc(C)ccc1[O-])C(=O)[O-] ZINC000036831590 356885515 /nfs/dbraw/zinc/88/55/15/356885515.db2.gz OSBRHSVFQVVNMM-JTQLQIEISA-N -2 3 251.282 1.684 20 0 CDADHL COC(=O)c1ccc([O-])c(NC(=O)c2ncccc2[O-])c1 ZINC000436505292 361524229 /nfs/dbraw/zinc/52/42/29/361524229.db2.gz NGPASLLMFDDDGR-UHFFFAOYSA-N -2 3 288.259 1.532 20 0 CDADHL CC1([N-]S(=O)(=O)c2scnc2C(=O)[O-])CCC1 ZINC000167986589 371535469 /nfs/dbraw/zinc/53/54/69/371535469.db2.gz UVBHLQOIAREAMP-UHFFFAOYSA-N -2 3 276.339 1.062 20 0 CDADHL CSCCCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000229195709 372992280 /nfs/dbraw/zinc/99/22/80/372992280.db2.gz FXKVWBRVNINUEB-UHFFFAOYSA-N -2 3 293.366 1.399 20 0 CDADHL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC000063155324 374186332 /nfs/dbraw/zinc/18/63/32/374186332.db2.gz YSWDXFYZPBWTNO-JTQLQIEISA-N -2 3 299.348 1.614 20 0 CDADHL COc1ccc([O-])c(C(=O)N2CCCCC[C@@H]2C(=O)[O-])c1 ZINC000080987938 374487773 /nfs/dbraw/zinc/48/77/73/374487773.db2.gz JRVANYMXFSGRFM-GFCCVEGCSA-N -2 3 293.319 1.870 20 0 CDADHL CC(C)(CCNC(=O)NCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000424405412 246474475 /nfs/dbraw/zinc/47/44/75/246474475.db2.gz HWWCTLMSDCWPPU-UHFFFAOYSA-N -2 3 298.314 1.831 20 0 CDADHL COc1ccc([O-])c(C(=O)NCCC(C)(C)C(=O)[O-])c1 ZINC000261776133 190044281 /nfs/dbraw/zinc/04/42/81/190044281.db2.gz PAXCHYKUEINKAA-UHFFFAOYSA-N -2 3 281.308 1.632 20 0 CDADHL O=c1[nH][n-]cc1CCCN=c1nc(C2CCCC2)[n-]s1 ZINC000631361470 376150555 /nfs/dbraw/zinc/15/05/55/376150555.db2.gz NBAWEDIMTVVSAC-JTQLQIEISA-N -2 3 293.396 1.542 20 0 CDADHL O=C([O-])[C@@H]1CC[C@H](NC(=O)N=c2cc3ccccn3[n-]2)C1 ZINC000647702209 391430688 /nfs/dbraw/zinc/43/06/88/391430688.db2.gz HOCRPIDEOSTOHH-ZJUUUORDSA-N -2 3 288.307 1.131 20 0 CDADHL CC(=O)Nc1ccc([O-])c(C(=O)Nc2c(C)[n-][nH]c2=O)c1 ZINC000647815657 391803702 /nfs/dbraw/zinc/80/37/02/391803702.db2.gz GJKLTYMCAREFSB-UHFFFAOYSA-N -2 3 290.279 1.340 20 0 CDADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000035186346 172040596 /nfs/dbraw/zinc/04/05/96/172040596.db2.gz MAGCFYHBMIFHRE-MRVPVSSYSA-N -2 3 295.719 1.621 20 0 CDADHL Cc1ccc([O-])c(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c1 ZINC000035390310 172173073 /nfs/dbraw/zinc/17/30/73/172173073.db2.gz NTLXXIYBUPTMEM-NSHDSACASA-N -2 3 265.309 1.930 20 0 CDADHL C[C@](CCF)([N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000656725373 413606130 /nfs/dbraw/zinc/60/61/30/413606130.db2.gz VPWYACQUGMFUFP-SECBINFHSA-N -2 3 281.330 1.229 20 0 CDADHL O=C([O-])[C@H]1C[C@@H]([N-]c2nc(-c3ccccc3)no2)[C@@H](O)C1 ZINC000662898203 413676723 /nfs/dbraw/zinc/67/67/23/413676723.db2.gz ZTTGQJVUKYCYRG-AXFHLTTASA-N -2 3 289.291 1.373 20 0 CDADHL O=C([O-])C1([N-]S(=O)(=O)c2ccccc2F)CCCC1 ZINC000037367314 173156921 /nfs/dbraw/zinc/15/69/21/173156921.db2.gz UGWOXQSFMFHZQT-UHFFFAOYSA-N -2 3 287.312 1.501 20 0 CDADHL COc1ccc(C(=O)NC2CCC(C(=O)[O-])CC2)c([O-])c1 ZINC000037561309 173271736 /nfs/dbraw/zinc/27/17/36/173271736.db2.gz ASVJBINNTDSXIU-UHFFFAOYSA-N -2 3 293.319 1.774 20 0 CDADHL CCc1cc(=O)[n-]c(CN(CC)[C@H](C)C(=O)[O-])n1 ZINC000662213840 414565781 /nfs/dbraw/zinc/56/57/81/414565781.db2.gz CFCVJNXMTYGRKN-MRVPVSSYSA-N -2 3 253.302 1.040 20 0 CDADHL O=C([O-])C[C@H]1CCCCN1C(=O)c1cccc([O-])c1 ZINC000038026143 174011092 /nfs/dbraw/zinc/01/10/92/174011092.db2.gz ZHYVZTXVILLSQK-LLVKDONJSA-N -2 3 263.293 1.862 20 0 CDADHL Cc1cccc(C(=O)N2[C@H](C)CC[C@@H]2C(=O)[O-])c1[O-] ZINC000653318493 424563961 /nfs/dbraw/zinc/56/39/61/424563961.db2.gz MPUUWPKXYCLHOU-MWLCHTKSSA-N -2 3 263.293 1.778 20 0 CDADHL CCC(CC)(CNc1cnccc1-c1nnn[n-]1)C(=O)[O-] ZINC001590428810 1173405177 /nfs/dbraw/zinc/40/51/77/1173405177.db2.gz UIOFTXCFGHPSBO-UHFFFAOYSA-N -2 3 290.327 1.565 20 0 CDADHL CCC(CC)(CNc1cnccc1-c1nn[n-]n1)C(=O)[O-] ZINC001590428810 1173405183 /nfs/dbraw/zinc/40/51/83/1173405183.db2.gz UIOFTXCFGHPSBO-UHFFFAOYSA-N -2 3 290.327 1.565 20 0 CDADHL Cc1ccc(C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC000564979942 293478401 /nfs/dbraw/zinc/47/84/01/293478401.db2.gz YCQWFNNJWGSNED-PWSUYJOCSA-N -2 3 277.320 1.883 20 0 CDADHL CC[C@H](C)[C@H](NC(=O)c1ccc(C(C)=O)c([O-])c1)C(=O)[O-] ZINC000579719055 324265815 /nfs/dbraw/zinc/26/58/15/324265815.db2.gz RVXOHPZCGUCCAS-SDBXPKJASA-N -2 3 293.319 1.824 20 0 CDADHL COc1ccc(C(=O)NCC2(C(=O)[O-])CCCC2)c([O-])c1 ZINC000165336374 482642295 /nfs/dbraw/zinc/64/22/95/482642295.db2.gz WIQLLDZSNYIOHK-UHFFFAOYSA-N -2 3 293.319 1.776 20 0 CDADHL Cc1cccc2nc(-c3n[n-]c(C4CC4)n3)[n-]c(=O)c12 ZINC000517717082 482797979 /nfs/dbraw/zinc/79/79/79/482797979.db2.gz PAGMUYXJBCZSSR-UHFFFAOYSA-N -2 3 267.292 1.894 20 0 CDADHL CCC[C@@H](NC(=O)c1cccc(CC)c1[O-])c1nnn[n-]1 ZINC000678315465 483025548 /nfs/dbraw/zinc/02/55/48/483025548.db2.gz DZBGXYPRTFNSSP-LLVKDONJSA-N -2 3 289.339 1.739 20 0 CDADHL CCC[C@@H](NC(=O)c1cccc(CC)c1[O-])c1nn[n-]n1 ZINC000678315465 483025552 /nfs/dbraw/zinc/02/55/52/483025552.db2.gz DZBGXYPRTFNSSP-LLVKDONJSA-N -2 3 289.339 1.739 20 0 CDADHL O=C([O-])CSCCc1nc(-c2ccc([O-])cc2)no1 ZINC000739868302 576392313 /nfs/dbraw/zinc/39/23/13/576392313.db2.gz PYOZIMIWAGEXAK-UHFFFAOYSA-N -2 3 280.305 1.803 20 0 CDADHL CCc1cccc(C(=O)N(C)CCC(=O)[O-])c1[O-] ZINC000818339255 597013711 /nfs/dbraw/zinc/01/37/11/597013711.db2.gz DFPKGMQRSXVILC-UHFFFAOYSA-N -2 3 251.282 1.501 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(F)c2)o1 ZINC000020593471 599769348 /nfs/dbraw/zinc/76/93/48/599769348.db2.gz XJBWZMALOVBSPH-UHFFFAOYSA-N -2 3 299.279 1.595 20 0 CDADHL C[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C1CC1 ZINC000124812236 599773688 /nfs/dbraw/zinc/77/36/88/599773688.db2.gz GRYAWWZSRGAFHG-ZETCQYMHSA-N -2 3 273.310 1.302 20 0 CDADHL CC(C)(C(=O)[O-])c1ccc(N=c2ncnc3[nH][n-]cc2-3)cc1 ZINC000826126738 600817672 /nfs/dbraw/zinc/81/76/72/600817672.db2.gz GMWBCFRXAAEJRC-UHFFFAOYSA-N -2 3 297.318 1.832 20 0 CDADHL O=C([O-])[C@H](NC(=O)c1ccccc1[O-])c1ccccn1 ZINC000833126677 600975757 /nfs/dbraw/zinc/97/57/57/600975757.db2.gz OPLZMBDYINBXBI-GFCCVEGCSA-N -2 3 272.260 1.343 20 0 CDADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCCF)c1F ZINC000311995268 604654834 /nfs/dbraw/zinc/65/48/34/604654834.db2.gz WPFGHWFVCYJUFM-UHFFFAOYSA-N -2 3 297.254 1.301 20 0 CDADHL O=C([O-])C[C@H]1CCCN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC000833212401 604670119 /nfs/dbraw/zinc/67/01/19/604670119.db2.gz YKAQCSPNFVFIQS-MRVPVSSYSA-N -2 3 293.275 1.200 20 0 CDADHL CC(C)(C)[C@@H](NC(=O)c1cccc2n[n-]nc21)C(=O)[O-] ZINC000833424803 605778926 /nfs/dbraw/zinc/77/89/26/605778926.db2.gz XERCCXYNPHVKBZ-JTQLQIEISA-N -2 3 276.296 1.187 20 0 CDADHL COC[C@](C)(CC(=O)[O-])NC(=O)Cc1ccc([O-])c(F)c1 ZINC000909376624 618010101 /nfs/dbraw/zinc/01/01/01/618010101.db2.gz PPLZZFUQOSMCLW-AWEZNQCLSA-N -2 3 299.298 1.070 20 0 CDADHL CCCC[C@H](NC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909505861 619455043 /nfs/dbraw/zinc/45/50/43/619455043.db2.gz JYKHPXAYTGQTQO-NSHDSACASA-N -2 3 283.299 1.833 20 0 CDADHL CCC(CC)(NC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909615070 620511140 /nfs/dbraw/zinc/51/11/40/620511140.db2.gz UAXCJISBNWMZML-UHFFFAOYSA-N -2 3 283.299 1.833 20 0 CDADHL O=C([N-]OCCC1CC1)c1cnc(C2CC2)[n-]c1=O ZINC000908383506 628171578 /nfs/dbraw/zinc/17/15/78/628171578.db2.gz QKAVQRNCOUJFGQ-UHFFFAOYSA-N -2 3 263.297 1.521 20 0 CDADHL Cc1nc(N[C@@H](C)CC(=O)[O-])c(Cl)cc1-c1nnn[n-]1 ZINC001606059044 1163758549 /nfs/dbraw/zinc/75/85/49/1163758549.db2.gz CSVPASIRUXYRKB-YFKPBYRVSA-N -2 3 296.718 1.499 20 0 CDADHL Cc1nc(N[C@@H](C)CC(=O)[O-])c(Cl)cc1-c1nn[n-]n1 ZINC001606059044 1163758554 /nfs/dbraw/zinc/75/85/54/1163758554.db2.gz CSVPASIRUXYRKB-YFKPBYRVSA-N -2 3 296.718 1.499 20 0 CDADHL O=C(Cc1ccc(-c2nn[n-]n2)cc1)[N-]Oc1ccccc1 ZINC001606593469 1163935275 /nfs/dbraw/zinc/93/52/75/1163935275.db2.gz KWWRGLFPOHSPBI-UHFFFAOYSA-N -2 3 295.302 1.519 20 0 CDADHL O=C([O-])C1(NC(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC001610657323 1165398766 /nfs/dbraw/zinc/39/87/66/1165398766.db2.gz AEKKHEAEEDEIGF-UHFFFAOYSA-N -2 3 281.283 1.587 20 0 CDADHL O=c1cc(-c2cccc(-c3nn[n-]n3)c2)[n-]n1CC(F)F ZINC001593383896 1174073904 /nfs/dbraw/zinc/07/39/04/1174073904.db2.gz HURZVNCDWHJYQT-UHFFFAOYSA-N -2 3 292.249 1.068 20 0 CDADHL O=C([O-])C1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000095219046 1174512167 /nfs/dbraw/zinc/51/21/67/1174512167.db2.gz MDOBUTMZSUJUPG-UHFFFAOYSA-N -2 3 291.286 1.307 20 0 CDADHL O=C([O-])Cc1nc([N-]C(=O)c2scnc2C2CC2)n[nH]1 ZINC001602154128 1175145793 /nfs/dbraw/zinc/14/57/93/1175145793.db2.gz FAXQIXSSEQYUPU-UHFFFAOYSA-N -2 3 293.308 1.018 20 0 CDADHL O=C([O-])c1occc1CN1CCC(c2n[nH]c(=O)[n-]2)CC1 ZINC001602588037 1175310430 /nfs/dbraw/zinc/31/04/30/1175310430.db2.gz LDVCRMHKJCETFY-UHFFFAOYSA-N -2 3 292.295 1.181 20 0 CDADHL CCc1[n-]n(Cc2ccc(-c3nn[n-]n3)cc2)c(=O)c1C ZINC001604093537 1175754758 /nfs/dbraw/zinc/75/47/58/1175754758.db2.gz IBUSBUDAAKVHJR-SECBINFHSA-N -2 3 284.323 1.611 20 0 CDADHL COc1cccc([O-])c1C(=O)N[C@H](C)/C=C/C(=O)[O-] ZINC001607326345 1164149462 /nfs/dbraw/zinc/14/94/62/1164149462.db2.gz FMCUGKIZGYMPOV-HYDMIIDASA-N -2 3 265.265 1.160 20 0 CDADHL O=C([O-])CCCCCCN=c1ncnc2[nH][n-]cc1-2 ZINC001608711491 1164615402 /nfs/dbraw/zinc/61/54/02/1164615402.db2.gz OHXPZUXTKQXUSF-UHFFFAOYSA-N -2 3 263.301 1.173 20 0 CDADHL O=C([O-])CC1([N-]S(=O)(=O)c2cscn2)CCCC1 ZINC001608689006 1167930128 /nfs/dbraw/zinc/93/01/28/1167930128.db2.gz DTEPIPZCVRISMW-UHFFFAOYSA-N -2 3 290.366 1.209 20 0 CDADHL Cc1noc([N-]c2ccc(C(=O)[O-])s2)c1C(N)=O ZINC001174806052 913359576 /nfs/dbraw/zinc/35/95/76/913359576.db2.gz QDLZNYNBHNDTGX-UHFFFAOYSA-N -2 3 267.266 1.585 20 0 CDADHL COc1cc[n-]c(=NNC(=O)c2c([O-])cccc2Cl)n1 ZINC000146948124 897965026 /nfs/dbraw/zinc/96/50/26/897965026.db2.gz BOKOVXRXCZHZGV-UHFFFAOYSA-N -2 3 294.698 1.601 20 0 CDADHL CCOC(=O)c1cnc(=O)[n-]c1O[C@H](C)C1=CC=C[CH]1 ZINC001225898462 904435337 /nfs/dbraw/zinc/43/53/37/904435337.db2.gz ARFXGXHKHBWGEM-SECBINFHSA-N -2 3 275.284 1.827 20 0 CDADHL Cc1cccc(C)c1C(=O)NCCCCP(=O)([O-])[O-] ZINC001189060088 921311275 /nfs/dbraw/zinc/31/12/75/921311275.db2.gz LPZLHHDULKPMIN-UHFFFAOYSA-N -2 3 285.280 1.991 20 0 CDADHL O=C([O-])C(F)(F)C(F)(F)C(=O)[N-][C@H]1CC12CCC2 ZINC001180176656 916174546 /nfs/dbraw/zinc/17/45/46/916174546.db2.gz JZQFLWQVGKXJDS-YFKPBYRVSA-N -2 3 269.194 1.400 20 0 CDADHL CC1(C)C[C@@H](C(=O)NCCCCP(=O)([O-])[O-])CCO1 ZINC001182026702 917588470 /nfs/dbraw/zinc/58/84/70/917588470.db2.gz OVSBOPMCGOIPQC-JTQLQIEISA-N -2 3 293.300 1.266 20 0 CDADHL O=C(NCc1ncccc1[O-])c1c(F)ccc(F)c1[O-] ZINC001192719531 923223379 /nfs/dbraw/zinc/22/33/79/923223379.db2.gz LKDIHNXZZSDWKZ-UHFFFAOYSA-N -2 3 280.230 1.701 20 0 CDADHL COc1cccc(C(=O)N=c2[n-]cnn3cccc23)c1[O-] ZINC001148197403 932657976 /nfs/dbraw/zinc/65/79/76/932657976.db2.gz IQPCDKNSJVZIMU-UHFFFAOYSA-N -2 3 284.275 1.118 20 0 CDADHL O=C([O-])C1(C(=O)NCc2ccc([O-])c(F)c2)CC1 ZINC000777874002 933306158 /nfs/dbraw/zinc/30/61/58/933306158.db2.gz XLSRGSJFJZALHP-UHFFFAOYSA-N -2 3 253.229 1.012 20 0 CDADHL Cc1nc(Nc2ccsc2C(=O)[O-])cc(=O)[n-]1 ZINC001215387607 940881787 /nfs/dbraw/zinc/88/17/87/940881787.db2.gz VVNBHHJOCNJKHF-UHFFFAOYSA-N -2 3 251.267 1.994 20 0 CDADHL O=P([O-])([O-])CCO[C@@H]1COCc2ccccc21 ZINC001224605369 941775872 /nfs/dbraw/zinc/77/58/72/941775872.db2.gz IIFJGJQNHKHYSR-LLVKDONJSA-N -2 3 258.210 1.452 20 0 CDADHL CCC[C@@H](NC(=O)c1cccc([O-])c1F)c1nnn[n-]1 ZINC001362070414 970846465 /nfs/dbraw/zinc/84/64/65/970846465.db2.gz UMJSIYXGZIGAQQ-MRVPVSSYSA-N -2 3 279.275 1.316 20 0 CDADHL CC(C)Oc1ncccc1COc1nc(=O)[n-]c(=O)[n-]1 ZINC001227570499 942191191 /nfs/dbraw/zinc/19/11/91/942191191.db2.gz LPOSVKZTJVHVRT-UHFFFAOYSA-N -2 3 278.268 1.044 20 0 CDADHL O=c1nc2nc(Br)[n-]c2c(OC2CCC2)[n-]1 ZINC001227593731 942192126 /nfs/dbraw/zinc/19/21/26/942192126.db2.gz HMMISNFSZOGOHA-UHFFFAOYSA-N -2 3 285.101 1.752 20 0 CDADHL CCOC(=O)[C@@H](CC(C)C)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233938728 943695011 /nfs/dbraw/zinc/69/50/11/943695011.db2.gz DSJOGEBHUSCKRQ-SECBINFHSA-N -2 3 294.311 1.003 20 0 CDADHL O=S(=O)([N-]c1ccc(F)c([O-])c1)c1ccccn1 ZINC001259287731 945544420 /nfs/dbraw/zinc/54/44/20/945544420.db2.gz FYWLCXKMCBMLJP-UHFFFAOYSA-N -2 3 268.269 1.727 20 0 CDADHL O=C([O-])C1(NC(=O)c2cc([O-])ccc2Cl)CCOCC1 ZINC000236415898 949894182 /nfs/dbraw/zinc/89/41/82/949894182.db2.gz YLXAUKZHPXLSKE-UHFFFAOYSA-N -2 3 299.710 1.409 20 0 CDADHL O=C([O-])CCNC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001595061780 951519770 /nfs/dbraw/zinc/51/97/70/951519770.db2.gz VYNRNOGKVCXREG-UHFFFAOYSA-N -2 3 296.229 1.011 20 0 CDADHL CC[C@H](CNC(=O)c1c(C)cccc1[O-])C(=O)[O-] ZINC000706577812 954953832 /nfs/dbraw/zinc/95/38/32/954953832.db2.gz YHPRKTULBYDYMC-SECBINFHSA-N -2 3 251.282 1.541 20 0 CDADHL COCc1nocc1C(=O)[N-]c1n[n-]c(-c2ccco2)n1 ZINC001329556100 955982713 /nfs/dbraw/zinc/98/27/13/955982713.db2.gz ZYFJTWFNXJLCTH-UHFFFAOYSA-N -2 3 289.251 1.451 20 0 CDADHL CC[C@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)C(=O)[O-] ZINC000087482826 958013137 /nfs/dbraw/zinc/01/31/37/958013137.db2.gz ZPTPYKGCWHOHRU-SECBINFHSA-N -2 3 288.303 1.369 20 0 CDADHL O=C([O-])C[C@@H]1CSCCN1C(=O)c1cccc(O)c1[O-] ZINC000126058642 958579556 /nfs/dbraw/zinc/57/95/56/958579556.db2.gz KULPFKFVHRDLJB-MRVPVSSYSA-N -2 3 297.332 1.130 20 0 CDADHL CC(C)(C)OC(=O)c1cc(NC(=O)CCC(=O)[O-])[n-]n1 ZINC001573454730 958886975 /nfs/dbraw/zinc/88/69/75/958886975.db2.gz IXVWSNAUEPSQFC-UHFFFAOYSA-N -2 3 283.284 1.168 20 0 CDADHL CC(C)(C)OC(=O)c1cc(NC(=O)CCC(=O)[O-])n[n-]1 ZINC001573454730 958886989 /nfs/dbraw/zinc/88/69/89/958886989.db2.gz IXVWSNAUEPSQFC-UHFFFAOYSA-N -2 3 283.284 1.168 20 0 CDADHL CC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000233963073 960333206 /nfs/dbraw/zinc/33/32/06/960333206.db2.gz WUTGTWNNNOKZKG-RNFRBKRXSA-N -2 3 259.283 1.055 20 0 CDADHL O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cccc(F)c1[O-] ZINC001540505878 967145277 /nfs/dbraw/zinc/14/52/77/967145277.db2.gz YPAZPJXSXRCMLV-UHFFFAOYSA-N -2 3 299.265 1.964 20 0 CDADHL C[C@H](NC(=O)c1cc([O-])c2ccccc2c1)C(=O)[O-] ZINC001605042417 972657611 /nfs/dbraw/zinc/65/76/11/972657611.db2.gz HIQYKHGODUDKDZ-QMMMGPOBSA-N -2 3 259.261 1.748 20 0 CDADHL Cc1ccc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)o1 ZINC000710590969 977514207 /nfs/dbraw/zinc/51/42/07/977514207.db2.gz MZDFQSQKLLRMTE-UHFFFAOYSA-N -2 3 299.304 1.400 20 0 CDADHL C/C(=C\CNC(=O)NCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC001588975018 984820632 /nfs/dbraw/zinc/82/06/32/984820632.db2.gz VYSHHKUOABPXQO-XBXARRHUSA-N -2 3 282.271 1.361 20 0 CDADHL CCOC(=O)c1ccc(NC(=O)[C@@H](CC)C(=O)[O-])c([O-])c1 ZINC001596723776 984972468 /nfs/dbraw/zinc/97/24/68/984972468.db2.gz QJHALSIJPGBPEU-SECBINFHSA-N -2 3 295.291 1.618 20 0 CDADHL CC(C)(C)[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)C(=O)[O-] ZINC001589718446 987874749 /nfs/dbraw/zinc/87/47/49/987874749.db2.gz JDPSVKSKBLSVID-SNVBAGLBSA-N -2 3 294.286 1.326 20 0 CDADHL C[C@@H](OC(=O)c1cc2sccc2c([O-])c1)C(=O)C(=O)[O-] ZINC001593566465 995663793 /nfs/dbraw/zinc/66/37/93/995663793.db2.gz ZSTLHJYXRMBFBN-ZCFIWIBFSA-N -2 3 294.284 1.806 20 0 CDADHL Cc1c(C(=O)[O-])cc(CNc2cc(=O)[n-]cn2)n1C ZINC001599995257 1174335684 /nfs/dbraw/zinc/33/56/84/1174335684.db2.gz BTZJKOXIXFFEGT-UHFFFAOYSA-N -2 3 262.269 1.139 20 0 CDADHL COc1ccc([O-])c(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000111251697 186378023 /nfs/dbraw/zinc/37/80/23/186378023.db2.gz LVZBTXAMVBBUDT-LDYMZIIASA-N -2 3 279.292 1.194 20 0 CDADHL CC(C)C[C@H](NC(=O)c1ccc2n[n-]nc2c1)C(=O)[O-] ZINC000036971301 356295557 /nfs/dbraw/zinc/29/55/57/356295557.db2.gz RPPDOMCCEQNBCY-NSHDSACASA-N -2 3 276.296 1.187 20 0 CDADHL CCc1c(C(C)C)[n-]n(-c2nnc(C)c(=O)[n-]2)c1=O ZINC000634586824 356465716 /nfs/dbraw/zinc/46/57/16/356465716.db2.gz XOUNOQCFQGTXLO-QMMMGPOBSA-N -2 3 263.301 1.270 20 0 CDADHL Cc1ccc(-c2cc(=NC(=O)c3cncc([O-])c3)[nH][n-]2)o1 ZINC000447801733 356720094 /nfs/dbraw/zinc/72/00/94/356720094.db2.gz DVLWTWMAVHXPKV-UHFFFAOYSA-N -2 3 284.275 1.753 20 0 CDADHL CC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000035085660 356827147 /nfs/dbraw/zinc/82/71/47/356827147.db2.gz ZKXOBSKVOCHOST-QMMMGPOBSA-N -2 3 279.264 1.106 20 0 CDADHL CCC[C@H](CNC(=O)c1ccc2n[n-]nc2c1)C(=O)[O-] ZINC000087487082 357296007 /nfs/dbraw/zinc/29/60/07/357296007.db2.gz JCTHGUIBXZHJGQ-SECBINFHSA-N -2 3 276.296 1.189 20 0 CDADHL C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000070312148 357719777 /nfs/dbraw/zinc/71/97/77/357719777.db2.gz ZTIPOQWQDLPICG-ZETCQYMHSA-N -2 3 293.291 1.496 20 0 CDADHL Cc1csc(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)c1 ZINC000263229964 359246714 /nfs/dbraw/zinc/24/67/14/359246714.db2.gz RXWUSLQEUDNSHK-VIFPVBQESA-N -2 3 277.367 1.444 20 0 CDADHL CCC(=O)c1ccc([O-])c(NC(=O)c2n[nH]c(C)c2[O-])c1 ZINC000643305052 359570099 /nfs/dbraw/zinc/57/00/99/359570099.db2.gz CEDBUXLQMCOEGX-UHFFFAOYSA-N -2 3 289.291 1.974 20 0 CDADHL Cc1noc(C)c1S(=O)(=O)[N-]CC[C@@H](C)CC(=O)[O-] ZINC000275058731 192895708 /nfs/dbraw/zinc/89/57/08/192895708.db2.gz UHCPQARIZSGYSF-SSDOTTSWSA-N -2 3 290.341 1.071 20 0 CDADHL C[C@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000131758731 361141940 /nfs/dbraw/zinc/14/19/40/361141940.db2.gz GIOLGGKYNYCGCC-CBAPKCEASA-N -2 3 287.312 1.458 20 0 CDADHL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccccc1F ZINC000131829202 361154948 /nfs/dbraw/zinc/15/49/48/361154948.db2.gz UJLOMUNVLBAJCK-SECBINFHSA-N -2 3 289.328 1.747 20 0 CDADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)CCCC(=O)[O-] ZINC000131874738 361163819 /nfs/dbraw/zinc/16/38/19/361163819.db2.gz MVEROLWXLANXFV-SSDOTTSWSA-N -2 3 290.341 1.213 20 0 CDADHL CC(C)c1ccc(C(=O)NCc2n[nH]c(=O)[n-]2)c([O-])c1 ZINC000436575112 361534671 /nfs/dbraw/zinc/53/46/71/361534671.db2.gz MUZSHBSIMGDCSS-UHFFFAOYSA-N -2 3 276.296 1.269 20 0 CDADHL CC(C)C[C@@H](C(=O)[O-])[S@@](=O)c1ccc([O-])cc1 ZINC000566605316 370772330 /nfs/dbraw/zinc/77/23/30/370772330.db2.gz MFVYAYBCQWIHAE-GTNSWQLSSA-N -2 3 256.323 1.999 20 0 CDADHL Cc1ccsc1S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-] ZINC000548201838 369785074 /nfs/dbraw/zinc/78/50/74/369785074.db2.gz VMZNJMMNSGRHOW-LURJTMIESA-N -2 3 299.320 1.443 20 0 CDADHL C[C@@]1([N-]S(=O)(=O)c2ccco2)CCCC[C@H]1C(=O)[O-] ZINC000565361195 370427959 /nfs/dbraw/zinc/42/79/59/370427959.db2.gz IEZXNXYQBWXRMA-JOYOIKCWSA-N -2 3 287.337 1.591 20 0 CDADHL CC(C)[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccco1 ZINC000566182742 370637269 /nfs/dbraw/zinc/63/72/69/370637269.db2.gz OHEBUPFYGRPNRP-NSHDSACASA-N -2 3 275.326 1.447 20 0 CDADHL O=C(C[C@@H]1C[C@@H]1c1ccccc1)N=c1ccc([O-])n[n-]1 ZINC000341684383 373897325 /nfs/dbraw/zinc/89/73/25/373897325.db2.gz LTTYNZUVAJNSPT-NWDGAFQWSA-N -2 3 269.304 1.736 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CC[C@H](C)C[C@@H]2C(=O)[O-])n1 ZINC000571929055 377596875 /nfs/dbraw/zinc/59/68/75/377596875.db2.gz FETUWEDOEHVFRM-GXSJLCMTSA-N -2 3 279.340 1.430 20 0 CDADHL Cc1ncc(S(=O)(=O)[N-]CCC[C@@H](C)C(=O)[O-])s1 ZINC000230102211 378031287 /nfs/dbraw/zinc/03/12/87/378031287.db2.gz JBCWFQIJHIYFKC-SSDOTTSWSA-N -2 3 292.382 1.231 20 0 CDADHL O=C(N=c1cc2ccccn2[n-]1)c1cncc([O-])c1 ZINC000519840595 391715291 /nfs/dbraw/zinc/71/52/91/391715291.db2.gz ISCJWNGKPXXHPD-UHFFFAOYSA-N -2 3 254.249 1.109 20 0 CDADHL C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000020593344 171262836 /nfs/dbraw/zinc/26/28/36/171262836.db2.gz OBMZJGACPHQAAV-IUCAKERBSA-N -2 3 287.337 1.835 20 0 CDADHL CC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000035410712 172181593 /nfs/dbraw/zinc/18/15/93/172181593.db2.gz UKTQTAXIIOWZEH-ZETCQYMHSA-N -2 3 295.719 1.621 20 0 CDADHL O=C([O-])c1cccnc1SCc1cc(=O)c([O-])co1 ZINC000037414846 173191872 /nfs/dbraw/zinc/19/18/72/173191872.db2.gz APIVTNUHKVIOQY-UHFFFAOYSA-N -2 3 279.273 1.731 20 0 CDADHL CSc1ccc([O-])c(C(=O)N(C)CC(=O)[O-])c1 ZINC000659760336 414085141 /nfs/dbraw/zinc/08/51/41/414085141.db2.gz MJBHYXBTELREHK-UHFFFAOYSA-N -2 3 255.295 1.271 20 0 CDADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1cccs1)C(F)F ZINC000515706496 280906584 /nfs/dbraw/zinc/90/65/84/280906584.db2.gz SPTLGUIVTFWEPQ-LURJTMIESA-N -2 3 299.320 1.382 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]CC(C)(F)F)sc1C(=O)[O-] ZINC000560888622 293039859 /nfs/dbraw/zinc/03/98/59/293039859.db2.gz CCBZSQNXTUUPFM-UHFFFAOYSA-N -2 3 299.320 1.688 20 0 CDADHL CCc1cc(=O)[n-]c(CNC2(C(=O)[O-])CCCC2)n1 ZINC000563880093 316387466 /nfs/dbraw/zinc/38/74/66/316387466.db2.gz SLGYDILBJUAXJJ-UHFFFAOYSA-N -2 3 265.313 1.232 20 0 CDADHL Cc1oc(C)c(S(=O)(=O)[N-]CC(C)(F)F)c1C(=O)[O-] ZINC000581990394 324875785 /nfs/dbraw/zinc/87/57/85/324875785.db2.gz PHQNAOMTNODHEB-UHFFFAOYSA-N -2 3 297.279 1.528 20 0 CDADHL Cc1cc(=O)[n-]c(N[C@H](C)c2ncc(C(=O)[O-])s2)n1 ZINC001600286185 1174439353 /nfs/dbraw/zinc/43/93/53/1174439353.db2.gz VHZDIKPWCISMBB-ZCFIWIBFSA-N -2 3 280.309 1.818 20 0 CDADHL O=C([O-])CCc1nc(COC(=O)c2ccc([O-])cc2)no1 ZINC000739769562 576291734 /nfs/dbraw/zinc/29/17/34/576291734.db2.gz SROAOMBDOIPGPP-UHFFFAOYSA-N -2 3 292.247 1.149 20 0 CDADHL COCCN(CC(=O)[O-])C(=O)c1ccc(C(C)C)cc1[O-] ZINC000820719065 598143372 /nfs/dbraw/zinc/14/33/72/598143372.db2.gz NBXJOWBIYRTGOZ-UHFFFAOYSA-N -2 3 295.335 1.689 20 0 CDADHL O=C([O-])c1ccc2c(c1)CN(C(=O)c1ccc(O)cc1[O-])C2 ZINC000317156991 600042659 /nfs/dbraw/zinc/04/26/59/600042659.db2.gz SAPYOYWKZJKFPA-UHFFFAOYSA-N -2 3 299.282 1.952 20 0 CDADHL C[C@@H]1CN(C(=O)NCc2ccc([O-])c(F)c2)C[C@H]1C(=O)[O-] ZINC000828363615 601547099 /nfs/dbraw/zinc/54/70/99/601547099.db2.gz XFRVNSGHQVKVBK-PSASIEDQSA-N -2 3 296.298 1.393 20 0 CDADHL CCc1ccc(C(=O)N[C@@H](CC(=O)[O-])C2CC2)c([O-])c1 ZINC001605805213 1163677296 /nfs/dbraw/zinc/67/72/96/1163677296.db2.gz VALRKDLXFZSGNP-LBPRGKRZSA-N -2 3 277.320 1.938 20 0 CDADHL O=C([O-])[C@@H]1CCC[C@@H]1Nc1cccc(F)c1-c1nnn[n-]1 ZINC001606958003 1164040260 /nfs/dbraw/zinc/04/02/60/1164040260.db2.gz NRGKCCPTGQIZCH-APPZFPTMSA-N -2 3 291.286 1.671 20 0 CDADHL O=C([O-])[C@@H]1CCC[C@@H]1Nc1cccc(F)c1-c1nn[n-]n1 ZINC001606958003 1164040266 /nfs/dbraw/zinc/04/02/66/1164040266.db2.gz NRGKCCPTGQIZCH-APPZFPTMSA-N -2 3 291.286 1.671 20 0 CDADHL O=C([O-])c1nc(C(=O)[N-]c2c(F)ccnc2F)cs1 ZINC001608496147 1164527778 /nfs/dbraw/zinc/52/77/78/1164527778.db2.gz MMNKCULYVNZHDM-UHFFFAOYSA-N -2 3 285.231 1.767 20 0 CDADHL CCCN(CC(=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000095289578 1166620926 /nfs/dbraw/zinc/62/09/26/1166620926.db2.gz CXWZUQMLVOCHHZ-UHFFFAOYSA-N -2 3 261.285 1.168 20 0 CDADHL Cc1nc(N[C@H](C)[C@@H](C)C(=O)[O-])ccc1-c1nnn[n-]1 ZINC001592377336 1173873823 /nfs/dbraw/zinc/87/38/23/1173873823.db2.gz SSVHBVIBKBKWDN-RNFRBKRXSA-N -2 3 276.300 1.091 20 0 CDADHL Cc1nc(N[C@H](C)[C@@H](C)C(=O)[O-])ccc1-c1nn[n-]n1 ZINC001592377336 1173873840 /nfs/dbraw/zinc/87/38/40/1173873840.db2.gz SSVHBVIBKBKWDN-RNFRBKRXSA-N -2 3 276.300 1.091 20 0 CDADHL Cc1nc(N[C@@H]2CC[C@H](C(=O)[O-])C2)ccc1-c1nn[n-]n1 ZINC001592393788 1173879040 /nfs/dbraw/zinc/87/90/40/1173879040.db2.gz FCRUSAWSMYHJAB-DTWKUNHWSA-N -2 3 288.311 1.235 20 0 CDADHL O=c1[n-]c(SCc2ccc(-c3nnn[n-]3)c(F)c2)n[nH]1 ZINC001593541983 1174113323 /nfs/dbraw/zinc/11/33/23/1174113323.db2.gz VNRUKLCLRQRFQR-UHFFFAOYSA-N -2 3 293.287 1.122 20 0 CDADHL O=c1[n-]c(SCc2ccc(-c3nn[n-]n3)c(F)c2)n[nH]1 ZINC001593541983 1174113330 /nfs/dbraw/zinc/11/33/30/1174113330.db2.gz VNRUKLCLRQRFQR-UHFFFAOYSA-N -2 3 293.287 1.122 20 0 CDADHL O=C([O-])c1cccc2[nH]c(NC(=O)c3ccc([O-])cn3)nc21 ZINC001601632332 1174918183 /nfs/dbraw/zinc/91/81/83/1174918183.db2.gz GKXFQANUKPEWNU-UHFFFAOYSA-N -2 3 298.258 1.614 20 0 CDADHL O=C([O-])c1cccc2nc(NC(=O)c3ccc([O-])cn3)[nH]c21 ZINC001601632332 1174918190 /nfs/dbraw/zinc/91/81/90/1174918190.db2.gz GKXFQANUKPEWNU-UHFFFAOYSA-N -2 3 298.258 1.614 20 0 CDADHL O=C([O-])[C@@H]1CN(C(=O)c2cc(=O)[n-]cn2)c2ccccc21 ZINC001601846428 1175034119 /nfs/dbraw/zinc/03/41/19/1175034119.db2.gz ZNTWMDNMUUQZTD-SECBINFHSA-N -2 3 285.259 1.011 20 0 CDADHL O=C([O-])c1coc(C(=O)[N-]c2nc3ccc(F)cn3n2)c1 ZINC001602551441 1175291021 /nfs/dbraw/zinc/29/10/21/1175291021.db2.gz YMOJNYCKIQYYJE-UHFFFAOYSA-N -2 3 290.210 1.412 20 0 CDADHL CC(C)([N-]S(=O)(=O)c1occc1C(=O)[O-])C1CC1 ZINC001603685998 1175597142 /nfs/dbraw/zinc/59/71/42/1175597142.db2.gz NKJRMOACEIIZCH-UHFFFAOYSA-N -2 3 273.310 1.445 20 0 CDADHL CSc1nc(=O)[n-]c(C)c1C(=O)[N-]OCC(F)(F)F ZINC000135209114 1175821984 /nfs/dbraw/zinc/82/19/84/1175821984.db2.gz JKHHURJGCCSABB-UHFFFAOYSA-N -2 3 297.258 1.024 20 0 CDADHL CC(C)CO[N-]C(=O)c1n[n-]c2ccccc2c1=O ZINC000156533450 1178187800 /nfs/dbraw/zinc/18/78/00/1178187800.db2.gz YSBHKSYXOFGFTM-UHFFFAOYSA-N -2 3 261.281 1.241 20 0 CDADHL O=C([O-])C(F)(F)C(F)(F)C(=O)[N-]C1(CC2CC2)CC1 ZINC001180179692 916177723 /nfs/dbraw/zinc/17/77/23/916177723.db2.gz IHFPFBPXPPOCJP-UHFFFAOYSA-N -2 3 283.221 1.791 20 0 CDADHL CSc1ncc([O-])c(C(=O)Nc2ncccc2[O-])n1 ZINC001185161596 919445822 /nfs/dbraw/zinc/44/58/22/919445822.db2.gz ROULWRWQEFPMGG-UHFFFAOYSA-N -2 3 278.293 1.257 20 0 CDADHL O=C(NCCCCP(=O)([O-])[O-])Nc1cccnc1 ZINC001185711560 919725353 /nfs/dbraw/zinc/72/53/53/919725353.db2.gz QMPHJCPFLGXGPX-UHFFFAOYSA-N -2 3 273.229 1.161 20 0 CDADHL Cc1oncc1S(=O)(=O)[N-]c1ncc([O-])cc1Cl ZINC001187342146 920514685 /nfs/dbraw/zinc/51/46/85/920514685.db2.gz ODDJRMBXQRHJEM-UHFFFAOYSA-N -2 3 289.700 1.538 20 0 CDADHL O=S(=O)([N-]c1cc([O-])c(F)cc1F)c1c[nH]cn1 ZINC001187761344 920652879 /nfs/dbraw/zinc/65/28/79/920652879.db2.gz ZTJPEGMLTFLLON-UHFFFAOYSA-N -2 3 275.236 1.194 20 0 CDADHL CC(=O)c1cccc([O-])c1[N-]S(=O)(=O)C1CCC1 ZINC001188138149 920855705 /nfs/dbraw/zinc/85/57/05/920855705.db2.gz QLIYNWQLKXGXTI-UHFFFAOYSA-N -2 3 269.322 1.889 20 0 CDADHL O=C(NCCP(=O)([O-])[O-])Nc1ccc(F)cc1F ZINC001202025568 926450748 /nfs/dbraw/zinc/45/07/48/926450748.db2.gz DYXLHZDGTRDHPN-UHFFFAOYSA-N -2 3 280.167 1.264 20 0 CDADHL Cc1cccc(C)c1NC(=O)NCCP(=O)([O-])[O-] ZINC001202211839 926496015 /nfs/dbraw/zinc/49/60/15/926496015.db2.gz MXEKCFWRVMOEAW-UHFFFAOYSA-N -2 3 272.241 1.603 20 0 CDADHL C[C@H]1CN(C(=O)c2ccccc2[O-])CC[C@H]1C(=O)[O-] ZINC000306001649 935235281 /nfs/dbraw/zinc/23/52/81/935235281.db2.gz GTLFMSFOWULONN-VHSXEESVSA-N -2 3 263.293 1.575 20 0 CDADHL O=c1cc([N-]S(=O)(=O)c2ccccn2)nc(Cl)[n-]1 ZINC001259282245 935863279 /nfs/dbraw/zinc/86/32/79/935863279.db2.gz UQQODPJJVFEDPK-UHFFFAOYSA-N -2 3 286.700 1.031 20 0 CDADHL Nc1cncc(S(=O)(=O)[N-]c2ccc(F)c([O-])c2)c1 ZINC001211216505 940739840 /nfs/dbraw/zinc/73/98/40/940739840.db2.gz GWIUHDAXARTOTB-UHFFFAOYSA-N -2 3 283.284 1.309 20 0 CDADHL O=C([O-])c1cnc(F)c([N-]c2noc3nccnc23)c1 ZINC001215123093 940859435 /nfs/dbraw/zinc/85/94/35/940859435.db2.gz YQTWJUIIIPHLCO-UHFFFAOYSA-N -2 3 275.199 1.594 20 0 CDADHL O=Nc1c(=O)[n-]c(=O)[nH]c1Nc1ccsc1C(=O)[O-] ZINC001215390301 940883046 /nfs/dbraw/zinc/88/30/46/940883046.db2.gz RGTOICLQGCGZNV-UHFFFAOYSA-N -2 3 282.237 1.789 20 0 CDADHL C[C@@H](OCCP(=O)([O-])[O-])c1cnc2ccccn21 ZINC001224605178 941774686 /nfs/dbraw/zinc/77/46/86/941774686.db2.gz NBAZJMQCTINTLA-SECBINFHSA-N -2 3 270.225 1.590 20 0 CDADHL C[C@@H]1[C@@H](OCCP(=O)([O-])[O-])CN1C(=O)OC(C)(C)C ZINC001224603129 941774801 /nfs/dbraw/zinc/77/48/01/941774801.db2.gz VMHFWGFGJXSMRN-BDAKNGLRSA-N -2 3 295.272 1.189 20 0 CDADHL O=P([O-])([O-])CCCCOC[C@H]1CCC=CO1 ZINC001225019699 941814431 /nfs/dbraw/zinc/81/44/31/941814431.db2.gz AAHBCELFXOHBCL-SNVBAGLBSA-N -2 3 250.231 1.654 20 0 CDADHL C[C@@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1ccncc1 ZINC001233934183 943693852 /nfs/dbraw/zinc/69/38/52/943693852.db2.gz HNRWZLGCMSHJDO-SSDOTTSWSA-N -2 3 257.253 1.181 20 0 CDADHL CCC[C@H](CC(=O)OCC)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233939906 943697149 /nfs/dbraw/zinc/69/71/49/943697149.db2.gz PZRRSGIMAHUKOA-MRVPVSSYSA-N -2 3 294.311 1.147 20 0 CDADHL O=C1[N-]S(=O)(=O)c2ccc(-c3cc([O-])cc(F)c3)cc21 ZINC001241266122 946204938 /nfs/dbraw/zinc/20/49/38/946204938.db2.gz FIXKRZRMXZBAEJ-UHFFFAOYSA-N -2 3 293.275 1.630 20 0 CDADHL Cc1ccc(-c2cc(=O)n(-c3cc(=O)[n-]cn3)[n-]2)cn1 ZINC001245948955 947867027 /nfs/dbraw/zinc/86/70/27/947867027.db2.gz HWJZUHCTJBAHJU-UHFFFAOYSA-N -2 3 269.264 1.444 20 0 CDADHL C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)Cc2ccc([O-])c(F)c2)C1 ZINC001589269494 953403417 /nfs/dbraw/zinc/40/34/17/953403417.db2.gz YNNRHOOKMMSRJW-ONGXEEELSA-N -2 3 295.310 1.643 20 0 CDADHL O=C([O-])C(F)(F)C[N-]S(=O)(=O)c1ccccc1Cl ZINC000386506470 972060269 /nfs/dbraw/zinc/06/02/69/972060269.db2.gz LVMJYTZVHLYTPW-UHFFFAOYSA-N -2 3 299.682 1.338 20 0 CDADHL O=C([O-])CC[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC000126012796 958576708 /nfs/dbraw/zinc/57/67/08/958576708.db2.gz LAQWMOITJLDFRA-SNVBAGLBSA-N -2 3 293.319 1.815 20 0 CDADHL CC(C)C[C@H](CNC(=O)c1c[n-]ncc1=O)CC(=O)[O-] ZINC001573518167 959117460 /nfs/dbraw/zinc/11/74/60/959117460.db2.gz CIXCRHYAYYMPSH-VIFPVBQESA-N -2 3 281.312 1.049 20 0 CDADHL CC(C)C[C@@H](OC(=O)c1cccc2nn[n-]c21)C(=O)[O-] ZINC001588862468 962006932 /nfs/dbraw/zinc/00/69/32/962006932.db2.gz GOKIAORONXHYGP-SNVBAGLBSA-N -2 3 277.280 1.614 20 0 CDADHL CC(C)C[C@@H](OC(=O)c1cccc2n[n-]nc21)C(=O)[O-] ZINC001588862468 962006950 /nfs/dbraw/zinc/00/69/50/962006950.db2.gz GOKIAORONXHYGP-SNVBAGLBSA-N -2 3 277.280 1.614 20 0 CDADHL CC(C)[C@@H](NCc1nnc(-c2ccccc2[O-])o1)C(=O)[O-] ZINC001588950668 962571735 /nfs/dbraw/zinc/57/17/35/962571735.db2.gz SMRWCWWEZSAACE-GFCCVEGCSA-N -2 3 291.307 1.641 20 0 CDADHL O=C([O-])CCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001574697676 962672745 /nfs/dbraw/zinc/67/27/45/962672745.db2.gz ZINFRFNNXZHCDK-UHFFFAOYSA-N -2 3 293.258 1.199 20 0 CDADHL CCc1cc(=O)[n-]c(CN([C@H](C)C(=O)[O-])C2CC2)n1 ZINC001610423309 970741555 /nfs/dbraw/zinc/74/15/55/970741555.db2.gz BOXJLFPXMOVRLI-MRVPVSSYSA-N -2 3 265.313 1.182 20 0 CDADHL CC[C@H](C)C[C@H](NC(=O)c1ccc(O)cc1[O-])C(=O)[O-] ZINC000400481212 973287166 /nfs/dbraw/zinc/28/71/66/973287166.db2.gz WOCQHALTPOIRHO-KWQFWETISA-N -2 3 281.308 1.717 20 0 CDADHL O=C([O-])CN(C(=O)c1cc2c(cc1[O-])OCO2)C1CCC1 ZINC001606219867 973471432 /nfs/dbraw/zinc/47/14/32/973471432.db2.gz ANDIBKVJKIXMIC-UHFFFAOYSA-N -2 3 293.275 1.200 20 0 CDADHL O=C([O-])c1cc(Cn2cc(Cl)c(=O)[n-]c2=O)cs1 ZINC000689092385 976218218 /nfs/dbraw/zinc/21/82/18/976218218.db2.gz OYITWPGELYQBBC-UHFFFAOYSA-N -2 3 286.696 1.410 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C2CCC3(CC3)CC2)o1 ZINC000695643393 976798363 /nfs/dbraw/zinc/79/83/63/976798363.db2.gz QCQKELLRAZYKHB-UHFFFAOYSA-N -2 3 299.348 1.979 20 0 CDADHL CC1(C)CC(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC000706469402 977334515 /nfs/dbraw/zinc/33/45/15/977334515.db2.gz NPQFLHWQNFOZCF-UHFFFAOYSA-N -2 3 287.337 1.692 20 0 CDADHL CCCCC1([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC001605253303 1163503872 /nfs/dbraw/zinc/50/38/72/1163503872.db2.gz SGQIVLSEWPLGPM-UHFFFAOYSA-N -2 3 287.337 1.979 20 0 CDADHL Cc1cc(OCCCC(=O)[O-])ccc1-c1nn[n-]n1 ZINC001605747606 1163658899 /nfs/dbraw/zinc/65/88/99/1163658899.db2.gz OUCWZRNLAFYLFD-UHFFFAOYSA-N -2 3 262.269 1.419 20 0 CDADHL COc1ccc([O-])c(C(=O)N[C@](C)(C(=O)[O-])C2CC2)c1 ZINC000036980889 346343881 /nfs/dbraw/zinc/34/38/81/346343881.db2.gz AOOQHSVAMPCZHW-AWEZNQCLSA-N -2 3 279.292 1.384 20 0 CDADHL CC[C@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)C(=O)[O-] ZINC000274924900 365857358 /nfs/dbraw/zinc/85/73/58/365857358.db2.gz NQJYUEPAUZSBFL-VIFPVBQESA-N -2 3 293.291 1.415 20 0 CDADHL COC(=O)CCS(=O)(=O)[N-]c1ccc(C)cc1[O-] ZINC000042220514 357059099 /nfs/dbraw/zinc/05/90/99/357059099.db2.gz KUEZHMNGZSVMLI-UHFFFAOYSA-N -2 3 273.310 1.005 20 0 CDADHL CCOc1cccc(CCC(=O)N=c2ccc([O-])n[n-]2)c1 ZINC000637131997 359258088 /nfs/dbraw/zinc/25/80/88/359258088.db2.gz ZCBIISZVTRPFPY-UHFFFAOYSA-N -2 3 287.319 1.574 20 0 CDADHL Cc1n[n-]c(=NC(=O)c2cc(C(F)F)[n-]n2)n1C1CC1 ZINC000640277835 359914508 /nfs/dbraw/zinc/91/45/08/359914508.db2.gz UMMLWFNQDQDCGA-UHFFFAOYSA-N -2 3 282.254 1.256 20 0 CDADHL Cc1n[n-]c(=NC(=O)c2cc(C(F)F)n[n-]2)n1C1CC1 ZINC000640277835 359914514 /nfs/dbraw/zinc/91/45/14/359914514.db2.gz UMMLWFNQDQDCGA-UHFFFAOYSA-N -2 3 282.254 1.256 20 0 CDADHL O=C([O-])Cc1ccc([N-]S(=O)(=O)C[C@@H]2CCCO2)cc1 ZINC000063155396 360077639 /nfs/dbraw/zinc/07/76/39/360077639.db2.gz XNRIXWFODWXRHD-LBPRGKRZSA-N -2 3 299.348 1.234 20 0 CDADHL Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000566361961 370696261 /nfs/dbraw/zinc/69/62/61/370696261.db2.gz MIAKFGUSWYCMIW-VHSXEESVSA-N -2 3 265.313 1.348 20 0 CDADHL CC[C@@H](C)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000569238319 371246363 /nfs/dbraw/zinc/24/63/63/371246363.db2.gz LHOAXRYUSYGCEX-ZCFIWIBFSA-N -2 3 293.366 1.532 20 0 CDADHL CC1(CC[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000581820651 373251279 /nfs/dbraw/zinc/25/12/79/373251279.db2.gz PAWSMLAXZJMBIP-UHFFFAOYSA-N -2 3 273.310 1.446 20 0 CDADHL O=C(/C=C\c1cncc([O-])c1)[N-]O[C@@H]1CCCCO1 ZINC000492392486 253210063 /nfs/dbraw/zinc/21/00/63/253210063.db2.gz CRCXINADUODVFM-DSYXLKISSA-N -2 3 264.281 1.375 20 0 CDADHL Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)C(=O)[O-])cc1F ZINC000261612906 131156068 /nfs/dbraw/zinc/15/60/68/131156068.db2.gz AMRUTESPPLDRHG-ZCFIWIBFSA-N -2 3 279.264 1.025 20 0 CDADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2C=CCCC2)c1 ZINC000185041827 148382748 /nfs/dbraw/zinc/38/27/48/148382748.db2.gz IELJLYFKHXWFMR-VIFPVBQESA-N -2 3 287.362 1.833 20 0 CDADHL Cc1cc(S(=O)(=O)[N-]CCC(C)(C)F)oc1C(=O)[O-] ZINC000663428866 414251492 /nfs/dbraw/zinc/25/14/92/414251492.db2.gz XRLBBJZZWRWKAF-UHFFFAOYSA-N -2 3 293.316 1.703 20 0 CDADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]CC1=CCCC1 ZINC000663443509 414257630 /nfs/dbraw/zinc/25/76/30/414257630.db2.gz HNQYJGBTPXTREN-UHFFFAOYSA-N -2 3 288.350 1.230 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]CC2=CCCC2)cc1C(=O)[O-] ZINC000663443440 414257697 /nfs/dbraw/zinc/25/76/97/414257697.db2.gz FAVQARDOBWZCDE-UHFFFAOYSA-N -2 3 285.321 1.675 20 0 CDADHL COc1cccc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])c1[O-] ZINC000038026085 174010959 /nfs/dbraw/zinc/01/09/59/174010959.db2.gz PCNXXGWLDRBRML-SNVBAGLBSA-N -2 3 293.319 1.870 20 0 CDADHL CCC[C@](C)([N-]S(=O)(=O)c1cncc(F)c1)C(=O)[O-] ZINC000044260665 175156798 /nfs/dbraw/zinc/15/67/98/175156798.db2.gz JXXVMEXSCRVYCS-NSHDSACASA-N -2 3 290.316 1.142 20 0 CDADHL CCc1cc(=O)[n-]c(CN2CCC[C@H](C)[C@@H]2C(=O)[O-])n1 ZINC000424273614 281386789 /nfs/dbraw/zinc/38/67/89/281386789.db2.gz TZXAEQFXCGHASL-TVQRCGJNSA-N -2 3 279.340 1.430 20 0 CDADHL CSC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000563620064 316344740 /nfs/dbraw/zinc/34/47/40/316344740.db2.gz IDTRKDSEMLKQRF-LURJTMIESA-N -2 3 279.339 1.008 20 0 CDADHL Cc1nc(C)c(S(=O)(=O)[N-][C@H](C)[C@@H](C)C(=O)[O-])s1 ZINC000564178754 316430256 /nfs/dbraw/zinc/43/02/56/316430256.db2.gz PCPFQUILIHDOFZ-PHDIDXHHSA-N -2 3 292.382 1.147 20 0 CDADHL CC(=O)c1ccc(C(=O)N[C@H](CC(C)C)C(=O)[O-])cc1[O-] ZINC000575987726 317053003 /nfs/dbraw/zinc/05/30/03/317053003.db2.gz DTNYDVXGYYEOIS-GFCCVEGCSA-N -2 3 293.319 1.824 20 0 CDADHL Cc1cccc(F)c1S(=O)(=O)[N-]C(C)(C)CC(=O)[O-] ZINC000576567374 317162700 /nfs/dbraw/zinc/16/27/00/317162700.db2.gz XAPYZHPJNWNOQU-UHFFFAOYSA-N -2 3 289.328 1.666 20 0 CDADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](F)C2)o1 ZINC000576940059 317234428 /nfs/dbraw/zinc/23/44/28/317234428.db2.gz BFVSFNNYEBSSJQ-JGVFFNPUSA-N -2 3 291.300 1.537 20 0 CDADHL CC(=O)c1ccc(C(=O)N([C@H](C)C(=O)[O-])C2CC2)cc1[O-] ZINC000579122230 324112805 /nfs/dbraw/zinc/11/28/05/324112805.db2.gz PSXFRQSHSCNICI-MRVPVSSYSA-N -2 3 291.303 1.673 20 0 CDADHL CC[C@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000054468788 523885232 /nfs/dbraw/zinc/88/52/32/523885232.db2.gz WHHFRGKBLIEGEU-QMMMGPOBSA-N -2 3 289.328 1.848 20 0 CDADHL Cc1cc(=O)[n-]c(N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)n1 ZINC001600285583 1174437627 /nfs/dbraw/zinc/43/76/27/1174437627.db2.gz NOVCAMLCVMBHLA-SNVBAGLBSA-N -2 3 279.340 1.818 20 0 CDADHL Cc1oc(C(=O)[O-])cc1C(=O)Nc1ncccc1[O-] ZINC001600829681 1174634500 /nfs/dbraw/zinc/63/45/00/1174634500.db2.gz QBFVLCNWIKTMBD-UHFFFAOYSA-N -2 3 262.221 1.639 20 0 CDADHL C[C@@H]([N-]C(=O)C(F)(F)Oc1ccc(C=O)cc1)C(=O)[O-] ZINC000737679513 574462195 /nfs/dbraw/zinc/46/21/95/574462195.db2.gz AJJFWLXUFXTBPA-SSDOTTSWSA-N -2 3 287.218 1.060 20 0 CDADHL C[C@H](OC(=O)c1cccc(Br)c1[O-])C(=O)[O-] ZINC000736699709 575725413 /nfs/dbraw/zinc/72/54/13/575725413.db2.gz UIORJLVJNQCFME-YFKPBYRVSA-N -2 3 289.081 1.785 20 0 CDADHL O=C([O-])Cc1cccc(N=c2ncnc3[nH][n-]cc2-3)c1 ZINC000738630780 576097686 /nfs/dbraw/zinc/09/76/86/576097686.db2.gz OJSFWVYKHCELCO-UHFFFAOYSA-N -2 3 269.264 1.097 20 0 CDADHL CSc1nc([N-]C(=O)c2nc(Cl)ccc2F)n[n-]1 ZINC000758900378 577139882 /nfs/dbraw/zinc/13/98/82/577139882.db2.gz CIWAVXXKSKYQME-UHFFFAOYSA-N -2 3 287.707 1.966 20 0 CDADHL O=C([O-])CCCO[N-]C(=O)Cc1ccc(F)cc1Cl ZINC001601995950 1175105034 /nfs/dbraw/zinc/10/50/34/1175105034.db2.gz WXJVCEFRJVCAOK-UHFFFAOYSA-N -2 3 289.690 1.934 20 0 CDADHL O=C([O-])c1ccc(CS(=O)(=O)c2cccc([O-])c2)nc1 ZINC001602357659 1175223037 /nfs/dbraw/zinc/22/30/37/1175223037.db2.gz TYHHIDGVTWJXPT-UHFFFAOYSA-N -2 3 293.300 1.459 20 0 CDADHL O=C([O-])C[C@H](NC(=O)c1cn[n-]n1)c1cccc(Cl)c1 ZINC000833200046 600800213 /nfs/dbraw/zinc/80/02/13/600800213.db2.gz ZTBODOJFYKBFMZ-VIFPVBQESA-N -2 3 294.698 1.404 20 0 CDADHL Cc1oc(S(=O)(=O)[N-]Cc2ccccn2)cc1C(=O)[O-] ZINC000833026466 601214058 /nfs/dbraw/zinc/21/40/58/601214058.db2.gz DFBCZQHTPCEVGA-UHFFFAOYSA-N -2 3 296.304 1.160 20 0 CDADHL CCc1cc(=O)[n-]c(CN[C@@H](C(=O)[O-])c2ccccc2)n1 ZINC000830224421 602235626 /nfs/dbraw/zinc/23/56/26/602235626.db2.gz NUDMOLLHRPZEDU-CQSZACIVSA-N -2 3 287.319 1.660 20 0 CDADHL O=C([O-])c1cccc(COC(=O)c2cncc([O-])c2)n1 ZINC001602618281 1175325427 /nfs/dbraw/zinc/32/54/27/1175325427.db2.gz VQWAPRJFAOZBFL-UHFFFAOYSA-N -2 3 274.232 1.237 20 0 CDADHL COC[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909662277 620631572 /nfs/dbraw/zinc/63/15/72/620631572.db2.gz PEGFGJWILNLEIS-LLVKDONJSA-N -2 3 299.298 1.070 20 0 CDADHL Cc1cccc([O-])c1[N-]S(=O)(=O)N=S(C)(C)=O ZINC000901635897 624383308 /nfs/dbraw/zinc/38/33/08/624383308.db2.gz MLXHMTLTHSNRHD-UHFFFAOYSA-N -2 3 278.355 1.085 20 0 CDADHL CCN(CCC(=O)[O-])C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000908857734 628399189 /nfs/dbraw/zinc/39/91/89/628399189.db2.gz JBWAQBXDKOWLLK-UHFFFAOYSA-N -2 3 297.307 1.346 20 0 CDADHL O=C([O-])[C@@]1(F)CCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000909306764 628623386 /nfs/dbraw/zinc/62/33/86/628623386.db2.gz XDXQUAIKYAMOCW-GFCCVEGCSA-N -2 3 287.674 1.684 20 0 CDADHL CCC[C@H](CNC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909813608 628690352 /nfs/dbraw/zinc/69/03/52/628690352.db2.gz LFKTXGWINPMOFM-SNVBAGLBSA-N -2 3 283.299 1.691 20 0 CDADHL C[C@@H](CC(=O)[O-])CC(=O)[N-]OCc1cccnc1 ZINC000911806987 629537645 /nfs/dbraw/zinc/53/76/45/629537645.db2.gz SDXUMKJSUVOIIY-SECBINFHSA-N -2 3 252.270 1.130 20 0 CDADHL Cc1cc(=O)[n-]c(N2CC[C@](C(=O)[O-])(c3ccccc3)C2)n1 ZINC001607700281 1164275803 /nfs/dbraw/zinc/27/58/03/1164275803.db2.gz ZCQJKOANRRILIC-MRXNPFEDSA-N -2 3 299.330 1.723 20 0 CDADHL Cc1ccc(CCC(=O)[N-]OCCCC(=O)[O-])o1 ZINC001610498777 1165330423 /nfs/dbraw/zinc/33/04/23/1165330423.db2.gz WXURYXFIHXFNCQ-UHFFFAOYSA-N -2 3 255.270 1.433 20 0 CDADHL CC(=O)c1ccc(-c2nn[n-]n2)cc1NC[C@@H](C)C(=O)[O-] ZINC001588909655 1173112071 /nfs/dbraw/zinc/11/20/71/1173112071.db2.gz HFBXVJMWRBTUKM-SSDOTTSWSA-N -2 3 289.295 1.202 20 0 CDADHL Cc1cccnc1NC(=O)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001592263689 1173838531 /nfs/dbraw/zinc/83/85/31/1173838531.db2.gz FPPLOIMPMCXYLZ-UHFFFAOYSA-N -2 3 296.290 1.528 20 0 CDADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCSC1 ZINC001593171401 1174028587 /nfs/dbraw/zinc/02/85/87/1174028587.db2.gz WGYUBTIFCDXQHS-SECBINFHSA-N -2 3 291.336 1.030 20 0 CDADHL O=c1cc(C2CC2)[n-]n1Cc1ccc(-c2nn[n-]n2)cc1 ZINC001593383204 1174074627 /nfs/dbraw/zinc/07/46/27/1174074627.db2.gz PSJSODGVDSQGQW-UHFFFAOYSA-N -2 3 282.307 1.365 20 0 CDADHL O=C([O-])c1coc(/C=C\C(=O)[N-]OCC(F)F)c1 ZINC001601235010 1174802976 /nfs/dbraw/zinc/80/29/76/1174802976.db2.gz ITRWBKLBIQKAIJ-UPHRSURJSA-N -2 3 261.180 1.304 20 0 CDADHL O=C([O-])CCN(CC(=O)[O-])c1ccnc2ccccc21 ZINC001602004804 1175107704 /nfs/dbraw/zinc/10/77/04/1175107704.db2.gz MMSNADQXFDWJDB-UHFFFAOYSA-N -2 3 274.276 1.601 20 0 CDADHL O=C([O-])c1cc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)c[nH]1 ZINC001602254699 1175182140 /nfs/dbraw/zinc/18/21/40/1175182140.db2.gz KRJLCHWMCZRYAU-OWOJBTEDSA-N -3 3 275.220 1.077 20 0 CDADHL CC(C)OCCO[N-]C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001603925907 1175687170 /nfs/dbraw/zinc/68/71/70/1175687170.db2.gz WKPLYNPZLHESIU-UHFFFAOYSA-N -2 3 281.308 1.400 20 0 CDADHL