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/nfs/dbraw/zinc/03/82/91/999038291.db2.gz FERIAFHALNQGGT-CYBMUJFWSA-N -2 0 299.254 0.630 20 0 CCADRL CO[C@H](C)CC(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001599038124 999098496 /nfs/dbraw/zinc/09/84/96/999098496.db2.gz GVMYZMCFUIDYNA-LISWRGBSSA-N -2 0 299.323 0.435 20 0 CCADRL O=C([O-])C[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)[O-] ZINC000002045295 347964930 /nfs/dbraw/zinc/96/49/30/347964930.db2.gz RBLNYXNJCNZJDD-SECBINFHSA-N -2 0 287.293 0.034 20 0 CCADRL COC(=O)N[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000057733466 348615094 /nfs/dbraw/zinc/61/50/94/348615094.db2.gz MTJNESGLZNEFRG-UHFFFAOYSA-N -2 0 288.281 0.243 20 0 CCADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2cn[nH]c2)c1 ZINC000087844871 349353833 /nfs/dbraw/zinc/35/38/33/349353833.db2.gz PTLBLCFCVKTVDD-UHFFFAOYSA-N -2 0 281.293 0.838 20 0 CCADRL C[C@@H](CC(=O)[O-])N=c1[n-]nc(-c2ccon2)s1 ZINC000416425880 233834748 /nfs/dbraw/zinc/83/47/48/233834748.db2.gz JYMUCRCMOJOVIB-YFKPBYRVSA-N -2 0 254.271 0.890 20 0 CCADRL O=C([O-])CCCCCNC(=O)N=c1[n-]nc2ccccn21 ZINC000417754553 304047067 /nfs/dbraw/zinc/04/70/67/304047067.db2.gz PSZYIBVAWQKQDU-UHFFFAOYSA-N -2 0 291.311 0.918 20 0 CCADRL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C(=O)[O-] ZINC000354970363 356540491 /nfs/dbraw/zinc/54/04/91/356540491.db2.gz RRAGYDRTCGQFED-UHFFFAOYSA-N -2 0 267.266 0.440 20 0 CCADRL Cc1cccc(C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)c1O ZINC000378360547 357675236 /nfs/dbraw/zinc/67/52/36/357675236.db2.gz NVRNCSVHBYXSRJ-SNVBAGLBSA-N -2 0 289.295 0.427 20 0 CCADRL COCCc1nc(=NC[C@@H](C)CC(=O)[O-])s[n-]1 ZINC000567983608 358621707 /nfs/dbraw/zinc/62/17/07/358621707.db2.gz LGADVLDGCIDHFR-ZETCQYMHSA-N -2 0 259.331 0.672 20 0 CCADRL C[C@@H](CNC(=O)NCCCCCC(=O)[O-])C(=O)[O-] ZINC000655879957 412674831 /nfs/dbraw/zinc/67/48/31/412674831.db2.gz SXPYZLOKWJTQML-QMMMGPOBSA-N -2 0 260.290 0.651 20 0 CCADRL CC(C)[C@H](CNC(=O)NCCCC(=O)[O-])C(=O)[O-] ZINC000655880923 412676281 /nfs/dbraw/zinc/67/62/81/412676281.db2.gz ZHDAIPUPBFKUJB-QMMMGPOBSA-N -2 0 260.290 0.507 20 0 CCADRL O=C([O-])CSCC(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000593919698 360215186 /nfs/dbraw/zinc/21/51/86/360215186.db2.gz ADEXFFZQHMSHEE-MRVPVSSYSA-N -2 0 275.326 0.660 20 0 CCADRL O=C([O-])CSCC(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC000594463419 360320457 /nfs/dbraw/zinc/32/04/57/360320457.db2.gz XYOLCNOAGZJBSB-VIFPVBQESA-N -2 0 298.320 0.011 20 0 CCADRL O=C([O-])C12CCC(CC1)N2C(=O)N=c1[n-]ncs1 ZINC000630951130 370339526 /nfs/dbraw/zinc/33/95/26/370339526.db2.gz ITTPIPYZPHMRAY-UHFFFAOYSA-N -2 0 268.298 0.574 20 0 CCADRL C[C@H](CN(C)C(=O)c1cccc(OCC(=O)[O-])c1)C(=O)[O-] ZINC000656857965 412861560 /nfs/dbraw/zinc/86/15/60/412861560.db2.gz QICNLNLZSUTKHX-SECBINFHSA-N -2 0 295.291 0.943 20 0 CCADRL O=C([O-])CCNC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000569759566 291706546 /nfs/dbraw/zinc/70/65/46/291706546.db2.gz WOKAFMYRTDTRPG-UHFFFAOYSA-N -2 0 293.254 0.922 20 0 CCADRL C[C@H]1CCN(C(=O)NCCCCC(=O)[O-])C[C@@H]1C(=O)[O-] ZINC000646162406 390621051 /nfs/dbraw/zinc/62/10/51/390621051.db2.gz XMQMBGBNQNNTER-UWVGGRQHSA-N -2 0 286.328 0.994 20 0 CCADRL C[C@]1(C(=O)[O-])CCN(C(=O)NCCCC(=O)[O-])C1 ZINC000646165989 390622377 /nfs/dbraw/zinc/62/23/77/390622377.db2.gz KUUKFQVDKUSAHB-NSHDSACASA-N -2 0 258.274 0.357 20 0 CCADRL CN(CC(C)(C)C)C(=O)NC[C@H](CC(=O)[O-])C(=O)[O-] ZINC000549017584 286084149 /nfs/dbraw/zinc/08/41/49/286084149.db2.gz SWLRRWBQLYXIJS-QMMMGPOBSA-N -2 0 274.317 0.849 20 0 CCADRL Cn1cc(S(=O)(=O)[N-]c2ccncc2)cc1C(=O)[O-] ZINC000020213431 171075459 /nfs/dbraw/zinc/07/54/59/171075459.db2.gz PYIAFLPGCQCJQS-UHFFFAOYSA-N -2 0 281.293 0.919 20 0 CCADRL COCCN(CC(=O)[O-])C(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC000653277666 412277247 /nfs/dbraw/zinc/27/72/47/412277247.db2.gz RFDZPTIEQHTGCN-CYBMUJFWSA-N -2 0 285.296 0.357 20 0 CCADRL C[C@H](C(=O)[O-])N(C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)C1CC1 ZINC000653289590 412281750 /nfs/dbraw/zinc/28/17/50/412281750.db2.gz XZWGDRFHFGSPIN-HLTSFMKQSA-N -2 0 269.297 0.951 20 0 CCADRL CO[C@](C)(C(=O)[O-])C(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC000663139884 415004739 /nfs/dbraw/zinc/00/47/39/415004739.db2.gz REQJKDKJEPOCFE-ZANVPECISA-N -2 0 289.328 0.729 20 0 CCADRL C[C@H](C(=O)[O-])C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000663147498 415009137 /nfs/dbraw/zinc/00/91/37/415009137.db2.gz KUBULVWWLQWIFZ-GZMMTYOYSA-N -2 0 277.276 0.918 20 0 CCADRL O=C([O-])c1cnc(C(=O)NC[C@H](C(=O)[O-])C2CCC2)cn1 ZINC000663154264 415011585 /nfs/dbraw/zinc/01/15/85/415011585.db2.gz YKPHYJIZEGQEOH-QMMMGPOBSA-N -2 0 293.279 0.406 20 0 CCADRL C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)C2(C(=O)[O-])CCC2)C1 ZINC000663058001 414968127 /nfs/dbraw/zinc/96/81/27/414968127.db2.gz VNWYKYFVOWEVAO-BDAKNGLRSA-N -2 0 269.297 0.811 20 0 CCADRL CO[C@](C)(C(=O)[O-])C(=O)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000663059324 414968143 /nfs/dbraw/zinc/96/81/43/414968143.db2.gz UYRSPCJWZWQIFL-LWINAJNOSA-N -2 0 273.285 0.045 20 0 CCADRL CCC(CC)CS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000736895598 581867334 /nfs/dbraw/zinc/86/73/34/581867334.db2.gz UPBDFBVXMUEESZ-IUCAKERBSA-N -2 0 277.342 0.589 20 0 CCADRL CC[C@@H](C)C[C@H](NC(=O)c1cnc([O-])n(C)c1=O)C(=O)[O-] ZINC000577637039 335384021 /nfs/dbraw/zinc/38/40/21/335384021.db2.gz GQOAEMIMLXKDAW-APPZFPTMSA-N -2 0 297.311 0.105 20 0 CCADRL O=C([O-])C[C@H]1CCCN(c2cnc(C(=O)[O-])cn2)C1 ZINC000668158708 545165665 /nfs/dbraw/zinc/16/56/65/545165665.db2.gz KWLFHOMTOWTZQP-MRVPVSSYSA-N -2 0 265.269 0.866 20 0 CCADRL CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NC1(C(=O)[O-])CCCC1 ZINC000669430463 545208105 /nfs/dbraw/zinc/20/81/05/545208105.db2.gz ATSKOBLZCNVJOA-SFYZADRCSA-N -2 0 269.297 0.857 20 0 CCADRL O=C([O-])c1cccc(C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000678303446 545388870 /nfs/dbraw/zinc/38/88/70/545388870.db2.gz TVYHZWWEXSZRGR-JTQLQIEISA-N -2 0 279.248 0.310 20 0 CCADRL COC(C[N-]C(=O)C(F)(F)F)C[N-]C(=O)C(F)(F)F ZINC000752772880 581516537 /nfs/dbraw/zinc/51/65/37/581516537.db2.gz QBEDINSPNSYCDN-UHFFFAOYSA-N -2 0 296.167 0.358 20 0 CCADRL O=C([O-])C[C@@H](NC(=O)c1cc(=O)[nH][n-]1)c1cccs1 ZINC000739625995 581583694 /nfs/dbraw/zinc/58/36/94/581583694.db2.gz DDJNLDTVOICDNB-ZCFIWIBFSA-N -2 0 281.293 0.256 20 0 CCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccsc1 ZINC000739696170 581595701 /nfs/dbraw/zinc/59/57/01/581595701.db2.gz IDXKWULRAPSRDB-UHFFFAOYSA-N -2 0 277.323 0.673 20 0 CCADRL O=C([O-])CCc1nnc(NC(=O)c2ncccc2[O-])s1 ZINC000739782208 581616576 /nfs/dbraw/zinc/61/65/76/581616576.db2.gz VNIYKXLDVQITRW-UHFFFAOYSA-N -2 0 294.292 0.908 20 0 CCADRL CCC(CC)CS(=O)(=O)[N-]C(=O)CN(C)C(=O)[O-] ZINC000736896106 581867578 /nfs/dbraw/zinc/86/75/78/581867578.db2.gz WTNSHFUFRKTZDA-UHFFFAOYSA-N -2 0 280.346 0.478 20 0 CCADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)CCCNC(=O)[O-] ZINC000736965059 581874167 /nfs/dbraw/zinc/87/41/67/581874167.db2.gz MRWVIBXVQZTOHO-SECBINFHSA-N -2 0 294.373 0.916 20 0 CCADRL CCCCS(=O)(=O)[N-]C(=O)CCCN(C)C(=O)[O-] ZINC000737000331 581882568 /nfs/dbraw/zinc/88/25/68/581882568.db2.gz ZAAKCFCKFRCADS-UHFFFAOYSA-N -2 0 280.346 0.623 20 0 CCADRL CCc1ccc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])cc1 ZINC000737255418 581927087 /nfs/dbraw/zinc/92/70/87/581927087.db2.gz CFEXPWNHGJVFOC-UHFFFAOYSA-N -2 0 271.294 0.393 20 0 CCADRL Cc1n[nH]c(C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)c1[O-] ZINC000749207572 581999661 /nfs/dbraw/zinc/99/96/61/581999661.db2.gz HNJWBYDDTMTTLD-VIFPVBQESA-N -2 0 299.294 0.456 20 0 CCADRL CC(C)C[C@H](C)S(=O)(=O)N(CC(=O)[O-])CC(=O)[O-] ZINC000776644588 582085429 /nfs/dbraw/zinc/08/54/29/582085429.db2.gz CDJMKFUOZWNALI-QMMMGPOBSA-N -2 0 281.330 0.222 20 0 CCADRL CSc1nc(=O)[nH]c(C)c1C(=O)NCCCC(=O)[O-] ZINC000037434370 597443102 /nfs/dbraw/zinc/44/31/02/597443102.db2.gz FFYZEUCGXYKBMJ-UHFFFAOYSA-N -2 0 285.325 0.807 20 0 CCADRL Cc1cc(NC(=O)c2cc(=O)[nH][n-]2)ccc1C(=O)[O-] ZINC000821009179 597491974 /nfs/dbraw/zinc/49/19/74/597491974.db2.gz YTOLJWBCICDRPI-UHFFFAOYSA-N -2 0 261.237 0.508 20 0 CCADRL C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1[O-])C(=O)[O-] ZINC000163720634 598221196 /nfs/dbraw/zinc/22/11/96/598221196.db2.gz KNWBSBQNHSMJLW-RXMQYKEDSA-N -2 0 254.198 0.503 20 0 CCADRL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2nnc[nH]2)cc1 ZINC000070073247 600243803 /nfs/dbraw/zinc/24/38/03/600243803.db2.gz PDFNWNWVYIABJW-UHFFFAOYSA-N -2 0 282.281 0.233 20 0 CCADRL Cc1[nH]nc(S(=O)(=O)[N-]c2cccnc2C)c1C(=O)[O-] ZINC000833009484 600830523 /nfs/dbraw/zinc/83/05/23/600830523.db2.gz XJWXQLZCWHIKOT-UHFFFAOYSA-N -2 0 296.308 0.921 20 0 CCADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nnc[nH]2)cs1 ZINC000113305835 600978154 /nfs/dbraw/zinc/97/81/54/600978154.db2.gz UZTRBMKLTWREFW-UHFFFAOYSA-N -2 0 274.283 0.365 20 0 CCADRL O=C([O-])CCCS(=O)(=O)[N-]C(=O)C=C1CCC1 ZINC000833228111 601599615 /nfs/dbraw/zinc/59/96/15/601599615.db2.gz GNQRXAMEIXESIU-UHFFFAOYSA-N -2 0 261.299 0.408 20 0 CCADRL O=C([O-])[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000833178084 601599719 /nfs/dbraw/zinc/59/97/19/601599719.db2.gz AQIKTFHHODWAFO-SFYZADRCSA-N -2 0 261.299 0.096 20 0 CCADRL Cc1n[nH]cc1S(=O)(=O)[N-]c1csnc1C(=O)[O-] ZINC000832848477 602201746 /nfs/dbraw/zinc/20/17/46/602201746.db2.gz FTLXGOVIHQNLJG-UHFFFAOYSA-N -2 0 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Cc1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c(C)n1 ZINC001225434358 812925573 /nfs/dbraw/zinc/92/55/73/812925573.db2.gz XMLXBSQMSWRMLJ-MRVPVSSYSA-N -2 0 291.196 0.074 20 0 CCADRL O=C(Oc1ccccc1[S-])[C@H](O)COP(=O)([O-])[O-] ZINC001225589057 813101130 /nfs/dbraw/zinc/10/11/30/813101130.db2.gz ZTNMSMYISXOOGC-ZCFIWIBFSA-N -3 0 294.221 0.351 20 0 CCADRL C[C@H](NC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C)C(=O)[O-] ZINC000824971398 821643605 /nfs/dbraw/zinc/64/36/05/821643605.db2.gz YNIMJLOYTIDDSO-LURJTMIESA-N -2 0 257.286 0.713 20 0 CCADRL Cc1nc(NCCOP(=O)([O-])[O-])ncc1F ZINC001157787500 837435356 /nfs/dbraw/zinc/43/53/56/837435356.db2.gz KQZPQBYCZWZNPT-UHFFFAOYSA-N -2 0 251.154 0.445 20 0 CCADRL CN1CCOC[C@@H]1CNc1ccc(P(=O)([O-])[O-])cc1 ZINC001169659889 836412890 /nfs/dbraw/zinc/41/28/90/836412890.db2.gz JPOMWHYMGZWATJ-NSHDSACASA-N -2 0 286.268 0.232 20 0 CCADRL O=C(NCCOP(=O)([O-])[O-])[C@@H]1CCC(F)(F)C1 ZINC001186889110 844611569 /nfs/dbraw/zinc/61/15/69/844611569.db2.gz BTTSDDKGERZXJG-ZCFIWIBFSA-N -2 0 273.172 0.647 20 0 CCADRL O=C([O-])COc1ccc(S(=O)(=O)N[C@@H]2[CH]CC=C2)cc1 ZINC001192754087 845909003 /nfs/dbraw/zinc/90/90/03/845909003.db2.gz XWXJWTSBHRDDED-JTQLQIEISA-N -2 0 296.324 0.961 20 0 CCADRL O=C(NCc1nnn[n-]1)c1ccc([O-])c(F)c1F ZINC001192842221 845921599 /nfs/dbraw/zinc/92/15/99/845921599.db2.gz GKOUMLGJSPDDEW-UHFFFAOYSA-N -2 0 255.184 0.114 20 0 CCADRL CCOC(=O)CS(=O)(=O)[N-]c1cc(F)cc(F)c1[O-] ZINC001195983627 846658807 /nfs/dbraw/zinc/65/88/07/846658807.db2.gz ADTDYWIPYCOJNG-UHFFFAOYSA-N -2 0 295.263 0.975 20 0 CCADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cnccn1 ZINC001198739948 847155459 /nfs/dbraw/zinc/15/54/59/847155459.db2.gz SYMPEXFJHFPQJM-UHFFFAOYSA-N -2 0 279.277 0.976 20 0 CCADRL CC[C@@H](C)CNC(=S)NCCOP(=O)([O-])[O-] ZINC001200272131 847589949 /nfs/dbraw/zinc/58/99/49/847589949.db2.gz SOCVFTUBHIFGFF-SSDOTTSWSA-N -2 0 270.291 0.606 20 0 CCADRL O=P([O-])([O-])OCCNc1cc(N2CCCC2)ncn1 ZINC001168587533 897696813 /nfs/dbraw/zinc/69/68/13/897696813.db2.gz RHRZLWNQETYWJF-UHFFFAOYSA-N -2 0 288.244 0.598 20 0 CCADRL Cc1cc(C)c(C(N)=O)c(NCCOP(=O)([O-])[O-])n1 ZINC001168587365 897701179 /nfs/dbraw/zinc/70/11/79/897701179.db2.gz SICKDQHWKXOTSU-UHFFFAOYSA-N -2 0 289.228 0.319 20 0 CCADRL O=P([O-])([O-])OCCNc1nncc2cnccc21 ZINC001168587985 897702871 /nfs/dbraw/zinc/70/28/71/897702871.db2.gz XAVKDGCUNDAESV-UHFFFAOYSA-N -2 0 270.185 0.546 20 0 CCADRL CN1C(=O)Cc2cc(NCCOP(=O)([O-])[O-])ccc21 ZINC001168591306 897711990 /nfs/dbraw/zinc/71/19/90/897711990.db2.gz OJYKFWIOVTWVRW-UHFFFAOYSA-N -2 0 286.224 0.727 20 0 CCADRL O=P([O-])([O-])OCCNc1cc2ccccc2[n+]([O-])c1 ZINC001168592323 897722810 /nfs/dbraw/zinc/72/28/10/897722810.db2.gz QPMRTPKQECSCSY-UHFFFAOYSA-N -2 0 284.208 0.994 20 0 CCADRL CC(C)(CO)O[N-]C(=O)CSc1n[n-]c(=S)s1 ZINC001298079147 907151786 /nfs/dbraw/zinc/15/17/86/907151786.db2.gz XGKNMWNNLPPKFR-UHFFFAOYSA-N -2 0 295.411 0.738 20 0 CCADRL COC[C@H](NC(=O)c1ccc(Cl)c([O-])c1)c1nnn[n-]1 ZINC001363438558 929233519 /nfs/dbraw/zinc/23/35/19/929233519.db2.gz UGHCEIXMDFTBBO-QMMMGPOBSA-N -2 0 297.702 0.676 20 0 CCADRL O=C([N-]n1c(=O)[n-][nH]c1=O)c1cc(-n2cccc2)ccn1 ZINC001450463831 931293058 /nfs/dbraw/zinc/29/30/58/931293058.db2.gz CZUSBUABMAYJBD-UHFFFAOYSA-N -2 0 286.251 0.259 20 0 CCADRL Cc1n[nH]c(C(=O)NC2(CC(=O)[O-])CCOCC2)c1[O-] ZINC001600665798 970843591 /nfs/dbraw/zinc/84/35/91/970843591.db2.gz PSFNZFJYRNHHIO-UHFFFAOYSA-N -2 0 283.284 0.177 20 0 CCADRL O=C([O-])c1ccnc(C(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC001595262576 949695848 /nfs/dbraw/zinc/69/58/48/949695848.db2.gz MAMVDROKNWBBBH-SECBINFHSA-N -2 0 264.237 0.469 20 0 CCADRL O=C([O-])c1ccnc(NC(=O)c2c[n-]n3c2nccc3=O)c1 ZINC001595263933 949725709 /nfs/dbraw/zinc/72/57/09/949725709.db2.gz UQHDCVVXINQCBG-UHFFFAOYSA-N -2 0 299.246 0.368 20 0 CCADRL CC(C)(CO)O[N-]C(=O)[C@@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001602948985 971925357 /nfs/dbraw/zinc/92/53/57/971925357.db2.gz WIDRIOKUXVRMDR-IUCAKERBSA-N -2 0 275.301 0.075 20 0 CCADRL C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)CCCc2nnn[n-]2)C1 ZINC001589269174 953396727 /nfs/dbraw/zinc/39/67/27/953396727.db2.gz ROIWVIAPXGAGJJ-DTWKUNHWSA-N -2 0 281.316 0.092 20 0 CCADRL C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)CCCc1nnn[n-]1 ZINC001589298270 953666460 /nfs/dbraw/zinc/66/64/60/953666460.db2.gz LBBCVYMYLSHBEG-IUCAKERBSA-N -2 0 281.316 0.234 20 0 CCADRL CC(C)[C@@H](C(=O)[O-])C(=O)N(C)Cc1n[n-]c(=O)o1 ZINC001602961106 971949512 /nfs/dbraw/zinc/94/95/12/971949512.db2.gz OUIHTOZKWMAESX-SSDOTTSWSA-N -2 0 257.246 0.090 20 0 CCADRL O=C([O-])[C@@H](C(=O)[N-]OCc1cccnc1)C1CC1 ZINC001594836275 954027034 /nfs/dbraw/zinc/02/70/34/954027034.db2.gz SKIYKXZWPJLQNY-SNVBAGLBSA-N -2 0 250.254 0.740 20 0 CCADRL O=C([O-])[C@]1(C(=O)Nc2[nH][nH]c3cc(=O)ccc2-3)CCCO1 ZINC001594871853 954362610 /nfs/dbraw/zinc/36/26/10/954362610.db2.gz JNFSVFJMVFNYEH-CYBMUJFWSA-N -2 0 291.263 0.841 20 0 CCADRL CC[C@H](CNC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C(=O)[O-] ZINC001589519341 955087008 /nfs/dbraw/zinc/08/70/08/955087008.db2.gz RGKXLGYTSJAIOM-ZCFIWIBFSA-N -2 0 298.261 0.671 20 0 CCADRL Cc1noc([N-][C@H]2CCCCN(CC(=O)[O-])C2=O)n1 ZINC001594502524 955334896 /nfs/dbraw/zinc/33/48/96/955334896.db2.gz QYGSBRSEJOWQIC-QMMMGPOBSA-N -2 0 268.273 0.256 20 0 CCADRL C[C@@H](C(=O)[O-])C(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C ZINC001589076588 955821574 /nfs/dbraw/zinc/82/15/74/955821574.db2.gz UQJSUHUGKZNSKD-JGVFFNPUSA-N -2 0 290.316 0.668 20 0 CCADRL CC(C)[C@H](C(=O)[O-])C(=O)N[C@H](C)c1nn(C)cc1[O-] ZINC001589088210 955914337 /nfs/dbraw/zinc/91/43/37/955914337.db2.gz KNXBCSHHJYCLFC-APPZFPTMSA-N -2 0 269.301 0.660 20 0 CCADRL C[C@H](NC(=O)[C@@H](C(=O)[O-])C1CC1)c1nn(C)cc1[O-] ZINC001589088261 955915844 /nfs/dbraw/zinc/91/58/44/955915844.db2.gz MWSZBOXNRZFGIK-RCOVLWMOSA-N -2 0 267.285 0.414 20 0 CCADRL C[C@H](NC(=O)c1n[nH]c(=O)[n-]1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589120918 956120516 /nfs/dbraw/zinc/12/05/16/956120516.db2.gz BMIIKKZOWQZPCS-LYFYHCNISA-N -2 0 282.300 0.376 20 0 CCADRL CO[C@@](C)(C(=O)[O-])C(=O)[N-]OCCC(F)(F)F ZINC001593926232 956130018 /nfs/dbraw/zinc/13/00/18/956130018.db2.gz DZTSJYIUSGWSAS-SSDOTTSWSA-N -2 0 259.180 0.476 20 0 CCADRL C[C@]1([N-]C(=O)C(F)(F)F)CCN(C(=O)CCC(=O)[O-])C1 ZINC001589245992 956918429 /nfs/dbraw/zinc/91/84/29/956918429.db2.gz CFYWOHOWUJKWRE-JTQLQIEISA-N -2 0 296.245 0.521 20 0 CCADRL C[C@H](CN(C)C(=O)CCCCC(=O)[O-])c1nnn[n-]1 ZINC001603149933 972246094 /nfs/dbraw/zinc/24/60/94/972246094.db2.gz MQKNXHGAGSNDOA-MRVPVSSYSA-N -2 0 269.305 0.407 20 0 CCADRL Cc1cc(=O)c(COC(=O)C2(C(=O)[O-])CC=CC2)n[n-]1 ZINC001594271521 957679120 /nfs/dbraw/zinc/67/91/20/957679120.db2.gz ODGGKOFAFGQAQK-UHFFFAOYSA-N -2 0 278.264 0.955 20 0 CCADRL COc1cccc(S([O-])=CC(=O)N(C)CCC(=O)[O-])c1 ZINC001594131423 958673641 /nfs/dbraw/zinc/67/36/41/958673641.db2.gz IJVWFIWAWQTAMD-FQEVSTJZSA-N -2 0 299.348 0.736 20 0 CCADRL Cc1n[nH]c(C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])c1[O-] ZINC001594441131 959270753 /nfs/dbraw/zinc/27/07/53/959270753.db2.gz OKFUCILBNBOURV-SECBINFHSA-N -2 0 290.279 0.244 20 0 CCADRL O=C([O-])[C@@H]1COCCN1C(=O)c1ccc(O)cc1F ZINC000232379804 960262784 /nfs/dbraw/zinc/26/27/84/960262784.db2.gz ZOOCWZLEGIOEIB-JTQLQIEISA-N -2 0 269.228 0.457 20 0 CCADRL CCC(CC)(NC(=O)c1cc(C(=O)[O-])n[nH]1)c1nnn[n-]1 ZINC001573791816 960760839 /nfs/dbraw/zinc/76/08/39/960760839.db2.gz WWNZUCYACDEFLX-UHFFFAOYSA-N -2 0 293.287 0.066 20 0 CCADRL CC(C)[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)N(C)C(C)C ZINC001588807948 961488780 /nfs/dbraw/zinc/48/87/80/961488780.db2.gz GBIZAPNNTXTQAM-QMMMGPOBSA-N -2 0 280.346 0.044 20 0 CCADRL CN(Cc1nc(=O)o[n-]1)C(=O)c1cccc(C(=O)[O-])c1 ZINC001574022123 961971459 /nfs/dbraw/zinc/97/14/59/961971459.db2.gz JPZQDUNGXUBXRF-UHFFFAOYSA-N -2 0 277.236 0.333 20 0 CCADRL CC(C)(CCC(=O)[O-])NS(=O)(=O)c1ncc[n-]1 ZINC000310293575 963397256 /nfs/dbraw/zinc/39/72/56/963397256.db2.gz SBCZPSBMKIQLQM-UHFFFAOYSA-N -2 0 261.303 0.331 20 0 CCADRL O=C([O-])c1ccccc1CCNS(=O)(=O)c1ncc[n-]1 ZINC000312838217 963597663 /nfs/dbraw/zinc/59/76/63/963597663.db2.gz DYHPZIGCHXLQAN-UHFFFAOYSA-N -2 0 295.320 0.629 20 0 CCADRL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCSC2)on1 ZINC000315429159 963899797 /nfs/dbraw/zinc/89/97/97/963899797.db2.gz OVWYIVDGFXCTBW-YFKPBYRVSA-N -2 0 278.311 0.157 20 0 CCADRL CC(C)OCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC000315559624 963915000 /nfs/dbraw/zinc/91/50/00/963915000.db2.gz JDCTUOLODMFXMU-UHFFFAOYSA-N -2 0 292.313 0.466 20 0 CCADRL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CCSC2)on1 ZINC000316000022 963963480 /nfs/dbraw/zinc/96/34/80/963963480.db2.gz QRIGKKABEYRKMX-ZCFIWIBFSA-N -2 0 292.338 0.404 20 0 CCADRL O=C([O-])CCCCC(=O)N1CCSC[C@H]1c1nnn[n-]1 ZINC001606142296 973397184 /nfs/dbraw/zinc/39/71/84/973397184.db2.gz JCOXAVLQYRYUCV-QMMMGPOBSA-N -2 0 299.356 0.461 20 0 CCADRL CC(C)([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])C(C)(F)F ZINC000405951754 973912978 /nfs/dbraw/zinc/91/29/78/973912978.db2.gz RIPPSOUCBLYWIX-UHFFFAOYSA-N -2 0 297.283 0.820 20 0 CCADRL C[C@@H](CC(=O)[O-])C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC001592341851 977792146 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O=C([O-])CCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000863961379 645148771 /nfs/dbraw/zinc/14/87/71/645148771.db2.gz ODTSUUBBVBSQLP-UHFFFAOYSA-N -2 0 299.304 0.291 20 0 CCADRL C=Cc1ccc(OC(=O)[C@H](O)COP(=O)([O-])[O-])cc1 ZINC001230448335 805601608 /nfs/dbraw/zinc/60/16/08/805601608.db2.gz MSFJTGDEGXLGAL-SNVBAGLBSA-N -2 0 288.192 0.705 20 0 CCADRL O=C([O-])C[C@@H](O)C(=O)Oc1cc([O-])cc2occc(=O)c12 ZINC001233828080 806126214 /nfs/dbraw/zinc/12/62/14/806126214.db2.gz WDRKDTBINZHBPP-MRVPVSSYSA-N -2 0 294.215 0.240 20 0 CCADRL O=C(NCCOP(=O)([O-])[O-])c1cn2ccnc2s1 ZINC001156817712 801241079 /nfs/dbraw/zinc/24/10/79/801241079.db2.gz JBGYFBQLGPSGSA-UHFFFAOYSA-N -2 0 291.225 0.235 20 0 CCADRL O=P([O-])([O-])OCCNc1ncc2c(n1)CCCN2 ZINC001157791169 801486007 /nfs/dbraw/zinc/48/60/07/801486007.db2.gz KVLLLMXXRLYNMG-UHFFFAOYSA-N -2 0 274.217 0.356 20 0 CCADRL O=P([O-])([O-])OCCNc1ccc(Cl)c[n+]1[O-] ZINC001157796185 801488056 /nfs/dbraw/zinc/48/80/56/801488056.db2.gz ZHMGEGNEMLRRRJ-UHFFFAOYSA-N -2 0 268.593 0.495 20 0 CCADRL C[C@H](OC(=O)[C@H](O)COP(=O)([O-])[O-])c1nccs1 ZINC001224006597 805003442 /nfs/dbraw/zinc/00/34/42/805003442.db2.gz LEASTEVTHSSRER-NTSWFWBYSA-N -2 0 297.225 0.218 20 0 CCADRL Cc1cccc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1 ZINC001225241962 805115480 /nfs/dbraw/zinc/11/54/80/805115480.db2.gz NQDJMCNILVKQQV-KOLCDFICSA-N -2 0 282.248 0.437 20 0 CCADRL Cc1cc(C)cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1 ZINC001225244673 805115794 /nfs/dbraw/zinc/11/57/94/805115794.db2.gz MDIXBOZBYPORCV-SNVBAGLBSA-N -2 0 290.208 0.679 20 0 CCADRL COc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001225252323 805115817 /nfs/dbraw/zinc/11/58/17/805115817.db2.gz GPFNCUBOCBDUEF-MWLCHTKSSA-N -2 0 298.247 0.137 20 0 CCADRL CCc1ncccc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001225455299 805130426 /nfs/dbraw/zinc/13/04/26/805130426.db2.gz CXBSKHRTOCKADG-RDDDGLTNSA-N -2 0 297.263 0.086 20 0 CCADRL Cc1cccc(O)c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001227134104 805325850 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Cn1nc([N-]S(=O)(=O)C[C@H]2CCCO2)cc1C(=O)[O-] ZINC000725221037 811274835 /nfs/dbraw/zinc/27/48/35/811274835.db2.gz QFVXVDBCJKPWDQ-SSDOTTSWSA-N -2 0 289.313 0.039 20 0 CCADRL O=C([O-])C[C@H](C(=O)OCCc1ccccc1)[C@@H](O)C(=O)[O-] ZINC001204999996 814237567 /nfs/dbraw/zinc/23/75/67/814237567.db2.gz KMSGYWLQNOWTOU-CMPLNLGQSA-N -2 0 296.275 0.309 20 0 CCADRL Cc1ccc(COC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1 ZINC001204686200 814559783 /nfs/dbraw/zinc/55/97/83/814559783.db2.gz DFZVDYSDOBTJEW-ZYHUDNBSSA-N -2 0 296.275 0.575 20 0 CCADRL CC(C)(Br)C(=O)NCCOP(=O)([O-])[O-] ZINC001144560355 840083371 /nfs/dbraw/zinc/08/33/71/840083371.db2.gz WUXWRPZBODFZQS-UHFFFAOYSA-N -2 0 290.050 0.385 20 0 CCADRL Cc1cccc(C(=O)NCCOP(=O)([O-])[O-])n1 ZINC001147221451 840532047 /nfs/dbraw/zinc/53/20/47/840532047.db2.gz ABRCPLPOOLDALL-UHFFFAOYSA-N -2 0 260.186 0.229 20 0 CCADRL O=C(CCc1ccc(F)nc1)NCCOP(=O)([O-])[O-] ZINC001175405858 842245138 /nfs/dbraw/zinc/24/51/38/842245138.db2.gz FRHCXWLIWAMMGZ-UHFFFAOYSA-N -2 0 292.203 0.379 20 0 CCADRL O=C([O-])Cn1cc(Nc2ccc(S(=O)(=O)[O-])cc2)cn1 ZINC001176270873 842350674 /nfs/dbraw/zinc/35/06/74/842350674.db2.gz IDANQLHCJLOJQD-UHFFFAOYSA-N -2 0 297.292 0.958 20 0 CCADRL O=C(NCCOP(=O)([O-])[O-])[C@H]1C[C@@]1(F)Cl ZINC001181672979 843573319 /nfs/dbraw/zinc/57/33/19/843573319.db2.gz QKYGGIDXDBFMNS-XINAWCOVSA-N -2 0 261.573 0.136 20 0 CCADRL C[C@](O)(C(=O)NCCOP(=O)([O-])[O-])c1ccccc1 ZINC001182935197 843945031 /nfs/dbraw/zinc/94/50/31/843945031.db2.gz PMIYQTWHQQLDGU-LLVKDONJSA-N -2 0 289.224 0.120 20 0 CCADRL O=C([O-])c1cc(C(=O)N2CC=CC2)cc(S(=O)(=O)[O-])c1 ZINC001189915091 845268873 /nfs/dbraw/zinc/26/88/73/845268873.db2.gz UBMIYSIHYIKBFF-UHFFFAOYSA-N -2 0 297.288 0.644 20 0 CCADRL O=C(NCc1cc[nH]n1)c1ccccc1OP(=O)([O-])[O-] ZINC001189899423 845282657 /nfs/dbraw/zinc/28/26/57/845282657.db2.gz BDIZDGDJMNLSRH-UHFFFAOYSA-N -2 0 297.207 0.811 20 0 CCADRL O=C(N[C@H]1C[C@H](O)C1)c1ccccc1OP(=O)([O-])[O-] ZINC001189900123 845285177 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897706198 /nfs/dbraw/zinc/70/61/98/897706198.db2.gz IYZPFHFBNOVKQU-UHFFFAOYSA-N -2 0 272.201 0.788 20 0 CCADRL Cc1c(NCCOP(=O)([O-])[O-])cncc1C(N)=O ZINC001168591594 897718505 /nfs/dbraw/zinc/71/85/05/897718505.db2.gz CTVRURVEGSAXJC-UHFFFAOYSA-N -2 0 275.201 0.010 20 0 CCADRL O=c1ccnc2c(NCCOP(=O)([O-])[O-])cccn12 ZINC001168592259 897721639 /nfs/dbraw/zinc/72/16/39/897721639.db2.gz PCCDMBZZMOOXCC-UHFFFAOYSA-N -2 0 285.196 0.216 20 0 CCADRL O=P([O-])([O-])OCCNc1ccc2ncnn2c1F ZINC001168593628 897726367 /nfs/dbraw/zinc/72/63/67/897726367.db2.gz RDNGTDAJSMYLHT-UHFFFAOYSA-N -2 0 276.164 0.390 20 0 CCADRL O=C1NCc2cccc(NCCOP(=O)([O-])[O-])c2N1 ZINC001168596649 897731810 /nfs/dbraw/zinc/73/18/10/897731810.db2.gz WTEZZKIJEYRQOT-UHFFFAOYSA-N -2 0 287.212 0.843 20 0 CCADRL C[S@@](=O)c1ccc(NCCOP(=O)([O-])[O-])nc1 ZINC001168596700 897735449 /nfs/dbraw/zinc/73/54/49/897735449.db2.gz XVBGJAYBMHWFSY-QGZVFWFLSA-N -2 0 280.242 0.340 20 0 CCADRL Cc1cc(C(=O)NOC2CCC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001298075410 907152136 /nfs/dbraw/zinc/15/21/36/907152136.db2.gz FLXBORIHARMDOR-UHFFFAOYSA-N -2 0 290.279 0.958 20 0 CCADRL CCC(CC)(NC(=O)c1[nH]nc(C)c1[O-])c1nnn[n-]1 ZINC001362427588 928007095 /nfs/dbraw/zinc/00/70/95/928007095.db2.gz SDKXFZOOCILPBK-UHFFFAOYSA-N -2 0 279.304 0.382 20 0 CCADRL O=C([O-])[C@@H](C(=O)[N-]S(=O)(=O)C1(Cl)CC1)C1CC1 ZINC001605901765 972740244 /nfs/dbraw/zinc/74/02/44/972740244.db2.gz ZEBABIRACIURTG-ZCFIWIBFSA-N -2 0 281.717 0.272 20 0 CCADRL CN(C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])c1ccc(F)cc1 ZINC000166851317 949449839 /nfs/dbraw/zinc/44/98/39/949449839.db2.gz YLQQMNPJRFEHLK-VIFPVBQESA-N -2 0 284.243 0.899 20 0 CCADRL C[C@H](C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC001602806448 971588936 /nfs/dbraw/zinc/58/89/36/971588936.db2.gz JEROFIDDAYCANK-LURJTMIESA-N -2 0 291.712 0.866 20 0 CCADRL Cc1nc(=NC(=O)c2cc(C(=O)[O-])no2)s[n-]1 ZINC000379302508 971632992 /nfs/dbraw/zinc/63/29/92/971632992.db2.gz QGRHZWAVHZGMBL-UHFFFAOYSA-N -2 0 254.227 0.207 20 0 CCADRL 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KXDCXVMGQLQFSZ-WDSKDSINSA-N -2 0 289.334 0.907 20 0 CCADRL CCO[N-]C(=O)CNC(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC001596968375 986183007 /nfs/dbraw/zinc/18/30/07/986183007.db2.gz KQFFVRCDCGDCEA-UHFFFAOYSA-N -2 0 280.280 0.491 20 0 CCADRL CCO[N-]C(=O)CNc1cc(CC(=O)[O-])ccn1 ZINC001596968892 986187361 /nfs/dbraw/zinc/18/73/61/986187361.db2.gz SAGLDSMSIYODAJ-UHFFFAOYSA-N -2 0 253.258 0.188 20 0 CCADRL C[C@@H]1CN(c2ncncc2C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC001594583679 986451268 /nfs/dbraw/zinc/45/12/68/986451268.db2.gz MKMDWEDZGJADGB-HTQZYQBOSA-N -2 0 265.269 0.722 20 0 CCADRL C[C@@H](C(=O)[N-]OCCCC(=O)[O-])c1ccnn1C ZINC001589423650 986681465 /nfs/dbraw/zinc/68/14/65/986681465.db2.gz OSESYAVLDACRJC-MRVPVSSYSA-N -2 0 255.274 0.436 20 0 CCADRL C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)N(CCC(=O)[O-])CC(=O)[O-] ZINC001594636237 986767383 /nfs/dbraw/zinc/76/73/83/986767383.db2.gz QWCZXNKXZNLJJB-UOKLYIGXSA-N -2 0 287.312 0.434 20 0 CCADRL C[C@@H](C(=O)[O-])[C@H](C)S(=O)(=O)[N-]C(=O)C12CC(C1)C2 ZINC001589450663 986840552 /nfs/dbraw/zinc/84/05/52/986840552.db2.gz DTQDUEFXFUNUQX-GIFGPCTOSA-N -2 0 275.326 0.342 20 0 CCADRL C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1cccc(F)c1 ZINC001589491579 987059494 /nfs/dbraw/zinc/05/94/94/987059494.db2.gz MHTIMWMQDOSVDT-LURJTMIESA-N -2 0 275.257 0.358 20 0 CCADRL C[C@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)C1CC2(CC2)C1 ZINC001589493980 987069620 /nfs/dbraw/zinc/06/96/20/987069620.db2.gz GLTWLQHVZZOVGD-ZCFIWIBFSA-N -2 0 261.299 0.096 20 0 CCADRL CC[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CCC1)C(=O)[O-] ZINC001597291666 987380182 /nfs/dbraw/zinc/38/01/82/987380182.db2.gz RCHGWAWLECUEBW-SSDOTTSWSA-N -2 0 279.314 0.024 20 0 CCADRL CC(C)(C(=O)[O-])C(=O)NCC1(C(=O)[O-])CCCC1 ZINC001589589012 987389699 /nfs/dbraw/zinc/38/96/99/987389699.db2.gz RPBVTOCRRPQRRM-UHFFFAOYSA-N -2 0 257.286 0.858 20 0 CCADRL CCc1ccc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])s1 ZINC001597501157 988066569 /nfs/dbraw/zinc/06/65/69/988066569.db2.gz WEXZHHLOERXJMG-UHFFFAOYSA-N -2 0 277.323 0.455 20 0 CCADRL C[C@@H]([N-]S(=O)(=O)CC1(C(=O)[O-])CC1)C(F)(F)F ZINC001599842786 988875276 /nfs/dbraw/zinc/87/52/76/988875276.db2.gz ZMXCAQQWGLQYAM-RXMQYKEDSA-N -2 0 275.248 0.721 20 0 CCADRL CCc1ncc(C(=O)N(CCC(=O)[O-])CC(=O)[O-])s1 ZINC001597697982 988913741 /nfs/dbraw/zinc/91/37/41/988913741.db2.gz PQENBQGZWKQFGR-UHFFFAOYSA-N -2 0 286.309 0.707 20 0 CCADRL CC(C)(CNS(=O)(=O)CC1(C(=O)[O-])CCC1)C(=O)[O-] ZINC001590777026 990581109 /nfs/dbraw/zinc/58/11/09/990581109.db2.gz QIFJIMRLYCEHMH-UHFFFAOYSA-N -2 0 293.341 0.272 20 0 CCADRL CC(C)C(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC001590939213 990971734 /nfs/dbraw/zinc/97/17/34/990971734.db2.gz QKXHEEBJFLLWED-UHFFFAOYSA-N -2 0 285.321 0.987 20 0 CCADRL CN(C)S(=O)(=O)[N-]C(=O)c1ccc(C(=O)[O-])cc1F ZINC001598267322 991118241 /nfs/dbraw/zinc/11/82/41/991118241.db2.gz QNGKBBHIGKYTCY-UHFFFAOYSA-N -2 0 290.272 0.060 20 0 CCADRL CC(C)CC(C)(C)C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-] ZINC001591124373 991814110 /nfs/dbraw/zinc/81/41/10/991814110.db2.gz PALZPBUEIUVMBG-MRVPVSSYSA-N -2 0 279.358 0.978 20 0 CCADRL CC(C)C[C@H](C)CC(=O)[N-]S(=O)(=O)[C@@H](C)C(=O)[O-] ZINC001591133090 991832016 /nfs/dbraw/zinc/83/20/16/991832016.db2.gz FPJGLHZKGQWBIK-IUCAKERBSA-N -2 0 279.358 0.978 20 0 CCADRL CC(C)C[C@]1(C(=O)[N-]OCCCC(=O)[O-])CCNC1=O ZINC001591193022 992008939 /nfs/dbraw/zinc/00/89/39/992008939.db2.gz VHXVIDBLNHCYPN-CYBMUJFWSA-N -2 0 286.328 0.451 20 0 CCADRL CC(C)C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)CCC(=O)[O-] ZINC001591444754 992542433 /nfs/dbraw/zinc/54/24/33/992542433.db2.gz RWGGXDNXCVHJHG-RKDXNWHRSA-N -2 0 277.342 0.589 20 0 CCADRL C[C@H](NS(=O)(=O)CC1(C(=O)[O-])CCCC1)C(=O)[O-] ZINC001593319861 994850728 /nfs/dbraw/zinc/85/07/28/994850728.db2.gz SERICVVVAXLGMJ-ZETCQYMHSA-N -2 0 279.314 0.024 20 0 CCADRL C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])o1)[C@H](C)C(=O)[O-] ZINC001593334121 994908692 /nfs/dbraw/zinc/90/86/92/994908692.db2.gz KYRGJPQGRJOFCW-WDSKDSINSA-N -2 0 291.281 0.365 20 0 CCADRL C[C@]1(C(=O)[O-])CCCN1C(=O)c1ccc(C(=O)[O-])cn1 ZINC001593783121 996492726 /nfs/dbraw/zinc/49/27/26/996492726.db2.gz JVYFNSDMXOBKNS-CYBMUJFWSA-N -2 0 278.264 0.859 20 0 CCADRL CO[N-]C(=O)CNC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC001599321193 997584034 /nfs/dbraw/zinc/58/40/34/997584034.db2.gz VSCZDXNNOXOCFV-UHFFFAOYSA-N -2 0 299.283 0.105 20 0 CCADRL COCCN(CC(=O)[O-])C(=O)c1ccc(C(=O)[O-])o1 ZINC001599234088 997914326 /nfs/dbraw/zinc/91/43/26/997914326.db2.gz KQWSPASKHLQNNU-UHFFFAOYSA-N -2 0 271.225 0.151 20 0 CCADRL Cc1[n-]n(CCc2ccccn2)c(=O)c1CC(=O)[O-] ZINC001594114901 998243353 /nfs/dbraw/zinc/24/33/53/998243353.db2.gz PCEWULUEEMTUPF-NSHDSACASA-N -2 0 261.281 0.933 20 0 CCADRL CO[C@](C)(C(=O)[O-])C(=O)NCc1ccc(C(=O)[O-])cc1F ZINC001599029237 999038162 /nfs/dbraw/zinc/03/81/62/999038162.db2.gz FERIAFHALNQGGT-ZDUSSCGKSA-N -2 0 299.254 0.630 20 0 CCADRL COC(C)(C)CC(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-] ZINC001599033080 999064978 /nfs/dbraw/zinc/06/49/78/999064978.db2.gz MIRQPHPBWTXWGX-SFYZADRCSA-N -2 0 295.357 0.357 20 0 CCADRL CO[C@H](C)C(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001599035192 999078219 /nfs/dbraw/zinc/07/82/19/999078219.db2.gz VREFEHBOBCJDBT-BAHFYKPOSA-N -2 0 285.296 0.045 20 0 CCADRL CO[C@]1(C(=O)[N-]OCCCC(=O)[O-])CCSC1 ZINC001599063519 999282940 /nfs/dbraw/zinc/28/29/40/999282940.db2.gz NZRCGOOESFSEBV-SNVBAGLBSA-N -2 0 263.315 0.421 20 0 CCADRL C[C@H]1CCN(c2cc(C(=O)[O-])ncn2)C[C@@H]1C(=O)[O-] ZINC001594432370 999609102 /nfs/dbraw/zinc/60/91/02/999609102.db2.gz UBMGGEAZQRZJTQ-YUMQZZPRSA-N -2 0 265.269 0.722 20 0 CCADRL O=C([O-])C[C@@H](NS(=O)(=O)CC1CCCCC1)C(=O)[O-] ZINC000166497639 350799461 /nfs/dbraw/zinc/79/94/61/350799461.db2.gz VMNJZQVINCYKOD-SECBINFHSA-N -2 0 293.341 0.414 20 0 CCADRL CCN(C(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1)C(C)C ZINC000555470900 290972631 /nfs/dbraw/zinc/97/26/31/290972631.db2.gz NNDIKVOJNJOUFC-NXEZZACHSA-N -2 0 286.328 0.944 20 0 CCADRL Cc1cc(S(=O)(=O)N[C@H](CC(=O)[O-])C(=O)[O-])c(C)o1 ZINC000274893220 353170944 /nfs/dbraw/zinc/17/09/44/353170944.db2.gz GGACMTAOLRRKPH-SSDOTTSWSA-N -2 0 291.281 0.103 20 0 CCADRL CC[C@@H](C)CO[N-]C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000293642486 353826637 /nfs/dbraw/zinc/82/66/37/353826637.db2.gz GHFZXIPZXWBMFA-ZCFIWIBFSA-N -2 0 260.319 0.284 20 0 CCADRL O=C([O-])CCNC(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000263376022 304055137 /nfs/dbraw/zinc/05/51/37/304055137.db2.gz OEYLWBSEIHMRAV-QPUJVOFHSA-N -2 0 270.285 0.357 20 0 CCADRL O=C([O-])C[C@@H](CNS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000170306992 304073622 /nfs/dbraw/zinc/07/36/22/304073622.db2.gz UHILJIPGFXQKQX-QMMMGPOBSA-N -2 0 287.293 0.140 20 0 CCADRL CC1(C(=O)[O-])CCN(C(=O)CSCC(=O)[O-])CC1 ZINC000592469107 359848235 /nfs/dbraw/zinc/84/82/35/359848235.db2.gz UTGNCYDYMPYWKO-UHFFFAOYSA-N -2 0 275.326 0.518 20 0 CCADRL O=C([O-])c1ccnc(NC(=O)[C@H](C(=O)[O-])C2CC2)c1 ZINC000623101765 367451426 /nfs/dbraw/zinc/45/14/26/367451426.db2.gz YQOCBTNRPAMFNF-SECBINFHSA-N -2 0 264.237 0.829 20 0 CCADRL O=C([O-])[C@@]1(CN=c2[n-]nc(C3CC3)o2)CCCOC1 ZINC000630464373 370126309 /nfs/dbraw/zinc/12/63/09/370126309.db2.gz WHTGKQLQBSUPRP-GFCCVEGCSA-N -2 0 267.285 0.662 20 0 CCADRL COCc1nc(=NC(=O)c2c([O-])cccc2O)s[n-]1 ZINC000442667624 389855255 /nfs/dbraw/zinc/85/52/55/389855255.db2.gz YUTREIOPKHYFFS-UHFFFAOYSA-N -2 0 281.293 0.770 20 0 CCADRL Cc1nc(=NC(=O)N2CCC(C)(C(=O)[O-])CC2)[n-]n1C ZINC000647703124 390140999 /nfs/dbraw/zinc/14/09/99/390140999.db2.gz PYSPMAFDEWBODD-UHFFFAOYSA-N -2 0 281.316 0.264 20 0 CCADRL Cn1[n-]nnc1=N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000649403775 390622796 /nfs/dbraw/zinc/62/27/96/390622796.db2.gz SANLRMFNLZSCDL-NXEZZACHSA-N -2 0 259.269 0.357 20 0 CCADRL C[C@H]1CCN(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)C[C@@H]1C(=O)[O-] ZINC000646180529 390625619 /nfs/dbraw/zinc/62/56/19/390625619.db2.gz NHVGJEOXUHKCDA-MMWGEVLESA-N -2 0 298.339 0.992 20 0 CCADRL CN(CC(=O)[O-])C(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000262465609 131222832 /nfs/dbraw/zinc/22/28/32/131222832.db2.gz RKTDNPPMKGGKKO-UHFFFAOYSA-N -2 0 286.309 0.215 20 0 CCADRL O=C([O-])CC1(NC(=O)N=c2[n-]nc3ccccn32)CCC1 ZINC000649539744 397630486 /nfs/dbraw/zinc/63/04/86/397630486.db2.gz FRMAADAIDZGETG-UHFFFAOYSA-N -2 0 289.295 0.670 20 0 CCADRL CC[C@H](C)CS(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000548216953 286017325 /nfs/dbraw/zinc/01/73/25/286017325.db2.gz JBVDHDAJJBBGCU-JGVFFNPUSA-N -2 0 281.330 0.127 20 0 CCADRL CC(C)CS(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-] ZINC000548590097 286050810 /nfs/dbraw/zinc/05/08/10/286050810.db2.gz PGCONMXOOMOIGC-JTQLQIEISA-N -2 0 281.330 0.127 20 0 CCADRL CC[C@H](C(=O)[O-])N(C)C(=O)[C@@]1(C(=O)[O-])CC1(C)C ZINC000663119063 414993887 /nfs/dbraw/zinc/99/38/87/414993887.db2.gz IRFGOIIMXVPBNY-JMCQJSRRSA-N -2 0 257.286 0.809 20 0 CCADRL CO[C@](C)(C(=O)[O-])C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000663129603 414998479 /nfs/dbraw/zinc/99/84/79/414998479.db2.gz NGJSGSYFTKRUTA-ZDUSSCGKSA-N -2 0 287.312 0.580 20 0 CCADRL O=C([O-])[C@@H]1CC[C@H](C(=O)NC2(C(=O)[O-])CCOCC2)C1 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CCc1ncnc(N(CCC(=O)[O-])CC(=O)[O-])c1F ZINC001597706115 988949315 /nfs/dbraw/zinc/94/93/15/988949315.db2.gz LFWPRFSIBUEFTD-UHFFFAOYSA-N -2 0 271.248 0.544 20 0 CCADRL CCc1oc(C(=O)[N-]S(=O)(=O)CC(=O)[O-])cc1C ZINC001597760606 989180272 /nfs/dbraw/zinc/18/02/72/989180272.db2.gz AULQSCDDNDOANJ-UHFFFAOYSA-N -2 0 275.282 0.295 20 0 CCADRL C[C@@H]1C[C@H](C(=O)[N-]OCC2CCC2)O[C@H]1C(=O)[O-] ZINC001599875721 989415936 /nfs/dbraw/zinc/41/59/36/989415936.db2.gz BTHKGGPPEGWPFY-SZEHBUNVSA-N -2 0 257.286 0.713 20 0 CCADRL CC(C)(CNC(=O)N1CC[C@@](C)(C(=O)[O-])C1)CC(=O)[O-] ZINC001590716216 990475031 /nfs/dbraw/zinc/47/50/31/990475031.db2.gz QGWBOEAMJBLZJH-CYBMUJFWSA-N -2 0 286.328 0.994 20 0 CCADRL CC(C)[C@@H](C(=O)[O-])C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001590956723 991029941 /nfs/dbraw/zinc/02/99/41/991029941.db2.gz MGEDOZBJGRSXGQ-RKDXNWHRSA-N -2 0 255.270 0.633 20 0 CCADRL CC(C)[C@H](C(=O)[N-]S(=O)(=O)CC(=O)[O-])c1ccccc1 ZINC001590957683 991042399 /nfs/dbraw/zinc/04/23/99/991042399.db2.gz OUXJTTIHTJJPIM-LBPRGKRZSA-N -2 0 299.348 0.957 20 0 CCADRL CC(C)[C@H](CNC(=O)N1CCC[C@@H]1CC(=O)[O-])C(=O)[O-] ZINC001590983872 991165708 /nfs/dbraw/zinc/16/57/08/991165708.db2.gz RTVXFJFXIQOURI-ZJUUUORDSA-N -2 0 286.328 0.992 20 0 CCADRL CC(C)CC(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-] ZINC001591111447 991770594 /nfs/dbraw/zinc/77/05/94/991770594.db2.gz NOYSEBQXCZALRE-HTQZYQBOSA-N -2 0 265.331 0.588 20 0 CCADRL CC(C)C[C@@H](CNC(=O)c1cc(=O)n(C)[n-]1)C(=O)[O-] ZINC001591153605 991897927 /nfs/dbraw/zinc/89/79/27/991897927.db2.gz HFLJDGFOEATMNN-QMMMGPOBSA-N -2 0 269.301 0.602 20 0 CCADRL CN(CCCC(=O)[O-])C(=O)c1ccc(C(=O)[O-])cn1 ZINC001598474615 992066880 /nfs/dbraw/zinc/06/68/80/992066880.db2.gz XKRZZAXXXVKFLA-UHFFFAOYSA-N -2 0 266.253 0.717 20 0 CCADRL CC(C)CO[N-]C(=O)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001591397262 992467143 /nfs/dbraw/zinc/46/71/43/992467143.db2.gz SDXDNRHUPGCBPV-ZDMBXUJBSA-N -2 0 284.312 0.060 20 0 CCADRL CC(C)CS(=O)(=O)[N-]C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC001591417497 992498638 /nfs/dbraw/zinc/49/86/38/992498638.db2.gz DPNVDYOWEKDVIW-MGCOHNPYSA-N -2 0 291.369 0.979 20 0 CCADRL CC(C)C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)[C@H](C)C(=O)[O-] ZINC001591444821 992543653 /nfs/dbraw/zinc/54/36/53/992543653.db2.gz WZESKSPFWBHXTR-IWSPIJDZSA-N -2 0 277.342 0.588 20 0 CCADRL CC(C)N(CC(=O)[O-])C(=O)c1ccnc(C(=O)[O-])c1 ZINC001591565543 992772154 /nfs/dbraw/zinc/77/21/54/992772154.db2.gz RNTKKTLLONXEGC-UHFFFAOYSA-N -2 0 266.253 0.715 20 0 CCADRL C[C@@](NCc1n[nH]c(=O)[n-]1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593311278 994779115 /nfs/dbraw/zinc/77/91/15/994779115.db2.gz DPULRMPMZULWJB-LBPRGKRZSA-N -2 0 280.259 0.739 20 0 CCADRL C[C@@H](NS(=O)(=O)CC1(C(=O)[O-])CCCC1)C(=O)[O-] ZINC001593319860 994850907 /nfs/dbraw/zinc/85/09/07/994850907.db2.gz SERICVVVAXLGMJ-SSDOTTSWSA-N -2 0 279.314 0.024 20 0 CCADRL C[C@](O)(CNC(=O)c1ccc2oc(=S)[n-]c2c1)C(=O)[O-] ZINC001593411659 995190430 /nfs/dbraw/zinc/19/04/30/995190430.db2.gz INUFPLNGWDXVJN-LBPRGKRZSA-N -2 0 296.304 0.682 20 0 CCADRL C[C@@]1(C(=O)[O-])CCC[C@@H]1NS(=O)(=O)CCCC(=O)[O-] ZINC001593762288 996429441 /nfs/dbraw/zinc/42/94/41/996429441.db2.gz JQBWBMYRAFHIBH-GZMMTYOYSA-N -2 0 293.341 0.414 20 0 CCADRL COC[C@@H](NC(=O)c1cccc(F)c1[O-])C(=O)[O-] ZINC001599174613 996816937 /nfs/dbraw/zinc/81/69/37/996816937.db2.gz NLAGUQNKOHSTQL-MRVPVSSYSA-N -2 0 257.217 0.361 20 0 CCADRL COCC[C@@H](NC(=O)c1ccc2oc(=O)nc-2[n-]1)C(=O)[O-] ZINC001599217664 997611600 /nfs/dbraw/zinc/61/16/00/997611600.db2.gz UPACLKBDOVIKPJ-SSDOTTSWSA-N -2 0 295.251 0.148 20 0 CCADRL C[C@@]1(NC(=O)CCCc2nnn[n-]2)CCCC[C@@H]1C(=O)[O-] ZINC001594053954 997780553 /nfs/dbraw/zinc/78/05/53/997780553.db2.gz YWDMPZLGCFCUQI-NOZJJQNGSA-N -2 0 295.343 0.672 20 0 CCADRL C[C@@H]1C[C@H]1C(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001594272974 999058123 /nfs/dbraw/zinc/05/81/23/999058123.db2.gz XMOJWPDEIMZXKW-DEOAZRKESA-N -2 0 281.308 0.666 20 0 CCADRL CO[C@@H](C)CCC(=O)[N-]S(=O)(=O)CCCC(=O)[O-] ZINC001599039666 999108519 /nfs/dbraw/zinc/10/85/19/999108519.db2.gz VVFANRBXKNODQM-QMMMGPOBSA-N -2 0 281.330 0.112 20 0 CCADRL Cc1n[n-]c(=NCCc2nc(C(=O)[O-])cs2)o1 ZINC000573614102 334952125 /nfs/dbraw/zinc/95/21/25/334952125.db2.gz UJUDDSDNLZCUKB-UHFFFAOYSA-N -2 0 254.271 0.609 20 0 CCADRL Cn1cnc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)c1 ZINC000087844864 136796547 /nfs/dbraw/zinc/79/65/47/136796547.db2.gz SPXLLKVJXAOORJ-UHFFFAOYSA-N -2 0 295.320 0.848 20 0 CCADRL C[C@@H](C(=O)[O-])N(C(=O)CSCC(=O)[O-])C1CC1 ZINC000263570241 137068807 /nfs/dbraw/zinc/06/88/07/137068807.db2.gz ZXQQCSAEPCWMME-LURJTMIESA-N -2 0 261.299 0.268 20 0 CCADRL CC(C)CS(=O)(=O)N1CC[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C1 ZINC000126565481 350149338 /nfs/dbraw/zinc/14/93/38/350149338.db2.gz CLSMGVKBUCNTPT-RKDXNWHRSA-N -2 0 293.341 0.080 20 0 CCADRL COc1cc([N-]S(=O)(=O)c2cn[nH]c2)ccc1C(=O)[O-] ZINC000227177793 352039874 /nfs/dbraw/zinc/03/98/74/352039874.db2.gz XILDWFLVMUTOJK-UHFFFAOYSA-N -2 0 297.292 0.917 20 0 CCADRL C[C@@H](CNC(=O)c1ccc(C(=O)[O-])cn1)C(=O)[O-] ZINC000655557664 412617643 /nfs/dbraw/zinc/61/76/43/412617643.db2.gz BAJRHSUUFBNWTQ-LURJTMIESA-N -2 0 252.226 0.230 20 0 CCADRL C[C@H](CNC(=O)c1cccc(C(=O)[O-])c1)C(=O)[O-] ZINC000655560718 412619248 /nfs/dbraw/zinc/61/92/48/412619248.db2.gz VLERTGSLLTVNNR-SSDOTTSWSA-N -2 0 251.238 0.835 20 0 CCADRL COc1ccc(=NC(=O)NC(C)(C)CCC(=O)[O-])[n-]n1 ZINC000417775428 358140380 /nfs/dbraw/zinc/14/03/80/358140380.db2.gz OYNDKSVXLFDGGT-UHFFFAOYSA-N -2 0 282.300 0.672 20 0 CCADRL C[C@H](CNC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)C(=O)[O-] ZINC000655881826 412675300 /nfs/dbraw/zinc/67/53/00/412675300.db2.gz DQMAQUNYZWNVIH-GJMOJQLCSA-N -2 0 258.274 0.260 20 0 CCADRL CC[C@](C)([N-]S(=O)(=O)CC(F)(F)F)C(=O)[O-] ZINC000570566790 358869752 /nfs/dbraw/zinc/86/97/52/358869752.db2.gz IWDMVRWZOZDCOO-LURJTMIESA-N -2 0 263.237 0.721 20 0 CCADRL CCOC(=O)c1nc(NC(=O)c2cc(=O)n(C)[n-]2)c[nH]1 ZINC000597562805 361140336 /nfs/dbraw/zinc/14/03/36/361140336.db2.gz PPFNLRMLKILCFR-UHFFFAOYSA-N -2 0 279.256 0.278 20 0 CCADRL C[C@@H](N=c1nn[n-]n1C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000656091875 412741265 /nfs/dbraw/zinc/74/12/65/412741265.db2.gz JIMXAZOVWVHCIH-GJMOJQLCSA-N -2 0 253.306 0.179 20 0 CCADRL C[C@H](CNC(=O)N1CC[C@H](C(=O)[O-])[C@H](C)C1)C(=O)[O-] ZINC000626771238 368635906 /nfs/dbraw/zinc/63/59/06/368635906.db2.gz JYDIRSIPVFKPNP-HLTSFMKQSA-N -2 0 272.301 0.459 20 0 CCADRL C[C@H]1CN(C(=O)NCC2(C(=O)[O-])CCC2)CC[C@@H]1C(=O)[O-] ZINC000626772892 368636397 /nfs/dbraw/zinc/63/63/97/368636397.db2.gz IOSCFBVNBYOFCC-UWVGGRQHSA-N -2 0 298.339 0.994 20 0 CCADRL O=C([O-])COCCN=c1[n-]nc(C2CCOCC2)s1 ZINC000634964554 372315339 /nfs/dbraw/zinc/31/53/39/372315339.db2.gz CTYVCKDDLHJSTE-UHFFFAOYSA-N -2 0 287.341 0.367 20 0 CCADRL O=C([O-])[C@]1([N-]S(=O)(=O)CC(F)(F)F)CCSC1 ZINC000569599163 291692533 /nfs/dbraw/zinc/69/25/33/291692533.db2.gz NNBJASPTEURJAO-LURJTMIESA-N -2 0 293.288 0.428 20 0 CCADRL CCCS(=O)(=O)[N-]C(=O)[C@@H](CCSC)NC(=O)[O-] ZINC000739375641 581543021 /nfs/dbraw/zinc/54/30/21/581543021.db2.gz VZPFJKROCRGEFP-SSDOTTSWSA-N -2 0 298.386 0.232 20 0 CCADRL CC(C)(C(=O)[O-])C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000647764790 390165507 /nfs/dbraw/zinc/16/55/07/390165507.db2.gz VYSDITFZKVJXRP-UHFFFAOYSA-N -2 0 273.285 0.095 20 0 CCADRL CC(C)c1cc(C(=O)N=c2ncn(CC(=O)[O-])[n-]2)on1 ZINC000647780562 390170575 /nfs/dbraw/zinc/17/05/75/390170575.db2.gz DEPHPJQYOLYAFT-UHFFFAOYSA-N -2 0 279.256 0.148 20 0 CCADRL CCC[C@H](C)CS(=O)(=O)N(CC(=O)[O-])CC(=O)[O-] ZINC000547880666 390406784 /nfs/dbraw/zinc/40/67/84/390406784.db2.gz WMVDNSVYIYTQST-QMMMGPOBSA-N -2 0 281.330 0.224 20 0 CCADRL O=C([O-])c1ccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000648450790 390373723 /nfs/dbraw/zinc/37/37/23/390373723.db2.gz GCXWSFZNGJPBAE-SNVBAGLBSA-N -2 0 279.248 0.310 20 0 CCADRL CC(C)[C@H](NC(=O)c1cnc(C(=O)[O-])cn1)C(=O)[O-] ZINC000261675210 131161725 /nfs/dbraw/zinc/16/17/25/131161725.db2.gz PUGNOQLGHAGNND-QMMMGPOBSA-N -2 0 267.241 0.014 20 0 CCADRL CCC(CC)(CNC(=O)c1cnc([O-])n(C)c1=O)C(=O)[O-] ZINC000262175816 131197727 /nfs/dbraw/zinc/19/77/27/131197727.db2.gz QWLPRSQNXOGOAQ-UHFFFAOYSA-N -2 0 297.311 0.107 20 0 CCADRL CC[C@H](C)CS(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-] ZINC000547612614 285960522 /nfs/dbraw/zinc/96/05/22/285960522.db2.gz MYMVSZDHNDORKR-KWQFWETISA-N -2 0 295.357 0.518 20 0 CCADRL CCC(CC)S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-] ZINC000548217459 286017308 /nfs/dbraw/zinc/01/73/08/286017308.db2.gz AUAPCIVJXIJYAB-ZETCQYMHSA-N -2 0 281.330 0.270 20 0 CCADRL CC[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)C(=O)[O-] ZINC000552356240 286163908 /nfs/dbraw/zinc/16/39/08/286163908.db2.gz JOCPMXKBMBXBKX-SECBINFHSA-N -2 0 251.238 0.978 20 0 CCADRL Cc1cccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n1 ZINC000020213599 171076169 /nfs/dbraw/zinc/07/61/69/171076169.db2.gz MMRRCIUSTNZDSH-UHFFFAOYSA-N -2 0 281.293 0.639 20 0 CCADRL O=C([O-])CN(CC1CC1)C(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000653323917 412288419 /nfs/dbraw/zinc/28/84/19/412288419.db2.gz AAQCZOIUHBPDQS-ZJUUUORDSA-N -2 0 269.297 0.811 20 0 CCADRL CC(C)[C@@H](CNC(=O)N=c1[n-]nc2ccccn21)C(=O)[O-] ZINC000653538157 412312450 /nfs/dbraw/zinc/31/24/50/412312450.db2.gz UGBKGKXQNFVCFJ-SECBINFHSA-N -2 0 291.311 0.630 20 0 CCADRL CC[C@H](C(=O)[O-])N(C)C(=O)c1ccc(C(=O)[O-])cn1 ZINC000653345394 412291828 /nfs/dbraw/zinc/29/18/28/412291828.db2.gz RHSXQWJRWVTABW-SECBINFHSA-N -2 0 266.253 0.715 20 0 CCADRL O=C([O-])CCNC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000659762983 413855795 /nfs/dbraw/zinc/85/57/95/413855795.db2.gz SQFIHEVKHQRJKJ-UHFFFAOYSA-N -2 0 267.237 0.355 20 0 CCADRL CCN(C(=O)c1ccc(C(=O)[O-])nc1)[C@@H](C)C(=O)[O-] ZINC000663124254 414995604 /nfs/dbraw/zinc/99/56/04/414995604.db2.gz IOGBMUGVXUKBRU-ZETCQYMHSA-N -2 0 266.253 0.715 20 0 CCADRL C[C@@H](C(=O)[O-])C(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000663135789 415002510 /nfs/dbraw/zinc/00/25/10/415002510.db2.gz UUHOVMODVBQGFE-KCJUWKMLSA-N -2 0 277.276 0.918 20 0 CCADRL CC(C)[C@H](C(=O)[O-])C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000663145622 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